Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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KHOMYAKOVITE
1, t-eudialyte, DF
Na(12)Sr(3)Ca(6)Fe(3)Zr(3)W[Si(25)O(73)][O,OH,H(2)O](3)(OH,Cl)(2)
Hexagonal R 3m Z = 1
R3m
28 .10 .13
Ref.Str.:
Johnsen O., Grice J.D. (1999)
* Canad. Mineral., 37, 865-891
R: from Mont Saint-Hilaire, Rouville County, Quebec, Canada.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.2959 alpha = 90.0
b = 14.2959 beta = 90.0
c = 30.084 gamma = 120.0
Unit cell volume (cub. angs.) = 5324.63
Molar volume ( cub.cm/mol.) = 3207.22
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5946 0.9258 0.1675 0.0 Ca = 1.00
2 0.818 0.182 0.1702 0.0 Fe = 0.52, Mn = 0.27
3 0.8313 0.1687 0.1654 0.0 Fe = 0.18, Fe = 0.0
4 0.0 0.0 0.8682 0.0 W = 0.52, Nb = 0.31
5 0.0 0.0 0.0773 0.0 Si = 0.6 , Si = 0.0
6 0.0 0.0 0.1233 0.0 Si = 0.4 , Si = 0.0
7 0.2187 0.7813 0.0153 0.0 Na = 0.5 , Na = 0.0
8 0.2385 0.7615 0.0055 0.0 Na = 0.5 , Na = 0.0
9 0.4378 0.5622 0.3243 0.0 Na = 1.00
10 0.0973 0.9027 0.2149 0.0 Na = 0.68, K = 0.12, Ca = 0.2
11 0.567 0.433 0.1173 0.0 Na = 0.13, Sr = 0.87
12 0.7361 0.2639 0.3168 0.0 Na = 0.98, Na = 0.0
13 0.4968 0.5032 0.0 0.0 Na = 0.99, Na = 0.0
14 0.263 0.737 0.2502 0.0 Si = 1.00
15 0.4033 0.5967 0.0861 0.0 Si = 1.00
16 0.5408 0.4592 0.2435 0.0 Si = 1.00
17 0.1233 0.8767 0.0923 0.0 Si = 1.00
18 0.9449 0.6736 0.2636 0.0 Si = 1.00
19 0.7247 0.062 0.0694 0.0 Si = 1.00
20 0.3945 0.6055 0.2482 0.0 O = 1.00
21 0.2221 0.7779 0.2105 0.0 O = 1.00
22 0.235 0.765 0.299 0.0 O = 1.00
23 0.2715 0.7285 0.0923 0.0 O = 1.00
24 0.4496 0.5504 0.1224 0.0 O = 1.00
25 0.0913 0.9087 0.3688 0.0 O = 1.00
26 0.6097 0.0388 0.2734 0.0 O = 1.00
27 0.516 0.484 0.1952 0.0 O = 1.00
28 0.6055 0.3945 0.2469 0.0 O = 1.00
29 0.7219 0.9486 0.0599 0.0 O = 1.00
30 0.1542 0.8458 0.1387 0.0 O = 1.00
31 0.0591 0.9409 0.0996 0.0 O = 1.00
32 0.2982 0.9005 0.3743 0.0 O = 1.00
33 0.7084 0.0765 0.1216 0.0 O = 1.00
34 0.8408 0.1592 0.0503 0.0 O = 1.00
35 0.7465 0.7731 0.2936 0.0 O = 1.00
36 0.9546 0.7006 0.2115 0.0 O = 1.00
37 0.8189 0.1811 0.2805 0.0 O = 1.00
38 0.7306 0.2694 0.1695 0.0 O = 1.00
39 0.0 0.0 0.0254 0.0 O = 0.73, O = 0.0
40 0.0 0.0 0.7323 0.0 Cl = 0.12, OH = 0.21
41 0.901 0.9505 0.7358 0.0 Cl = 0.04, OH = 0.07
42 0.0 0.0 0.6806 0.0 Cl = 0.12, OH = 0.21
43 0.0 0.0 0.2811 0.0 Cl = 0.07, OH = 0.18
44 0.0 0.0 0.2477 0.0 Cl = 0.07, OH = 0.18
45 0.0 0.0 0.1738 0.0 Cl = 0.07, OH = 0.18
46 0.963 0.037 0.1931 0.0 Cl = 0.02, OH = 0.06
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5946 0.9258 0.1675
2 2 0.818 0.182 0.1702
3 3 0.8313 0.1687 0.1654
4 4 0.0 0.0 0.8682
5 5 0.0 0.0 0.0773
6 6 0.0 0.0 0.1233
7 7 0.2187 0.7813 0.0153
8 8 0.2385 0.7615 0.0055
9 9 0.4378 0.5622 0.3243
10 10 0.0973 0.9027 0.2149
11 11 0.567 0.433 0.1173
12 12 0.7361 0.2639 0.3168
13 13 0.4968 0.5032 0.0
14 14 0.263 0.737 0.2502
15 15 0.4033 0.5967 0.0861
16 16 0.5408 0.4592 0.2435
17 17 0.1233 0.8767 0.0923
18 18 0.9449 0.6736 0.2636
19 19 0.7247 0.062 0.0694
20 20 0.3945 0.6055 0.2482
21 21 0.2221 0.7779 0.2105
22 22 0.235 0.765 0.299
23 23 0.2715 0.7285 0.0923
24 24 0.4496 0.5504 0.1224
25 25 0.0913 0.9087 0.3688
26 26 0.6097 0.0388 0.2734
27 27 0.516 0.484 0.1952
28 28 0.6055 0.3945 0.2469
29 29 0.7219 0.9486 0.0599
30 30 0.1542 0.8458 0.1387
31 31 0.0591 0.9409 0.0996
32 32 0.2982 0.9005 0.3743
33 33 0.7084 0.0765 0.1216
34 34 0.8408 0.1592 0.0503
35 35 0.7465 0.7731 0.2936
36 36 0.9546 0.7006 0.2115
37 37 0.8189 0.1811 0.2805
38 38 0.7306 0.2694 0.1695
39 39 0.0 0.0 0.0254
40 40 0.0 0.0 0.7323
41 41 0.901 0.9505 0.7358
42 42 0.0 0.0 0.6806
43 43 0.0 0.0 0.2811
44 44 0.0 0.0 0.2477
45 45 0.0 0.0 0.1738
46 46 0.963 0.037 0.1931
47 1 0.0742 0.6688 0.1675
48 1 0.3312 0.4054 0.1675
49 2 0.818 0.636 0.1702
50 2 0.364 0.182 0.1702
51 3 0.8313 0.6626 0.1654
52 3 0.3374 0.1687 0.1654
53 7 0.2187 0.4374 0.0153
54 7 0.5626 0.7813 0.0153
55 8 0.2385 0.477 0.0055
56 8 0.523 0.7615 0.0055
57 9 0.4378 0.8756 0.3243
58 9 0.1244 0.5622 0.3243
59 10 0.0973 0.1946 0.2149
60 10 0.8054 0.9027 0.2149
61 11 0.567 0.134 0.1173
62 11 0.866 0.433 0.1173
63 12 0.7361 0.4722 0.3168
64 12 0.5278 0.2639 0.3168
65 13 0.4968 0.9936 0.0
66 13 0.0064 0.5032 0.0
67 14 0.263 0.526 0.2502
68 14 0.474 0.737 0.2502
69 15 0.4033 0.8066 0.0861
70 15 0.1934 0.5967 0.0861
71 16 0.5408 0.0816 0.2435
72 16 0.9184 0.4592 0.2435
73 17 0.1233 0.2466 0.0923
74 17 0.7534 0.8767 0.0923
75 18 0.3264 0.2713 0.2636
76 18 0.7287 0.0551 0.2636
77 19 0.938 0.6627 0.0694
78 19 0.3373 0.2753 0.0694
79 20 0.3945 0.789 0.2482
80 20 0.211 0.6055 0.2482
81 21 0.2221 0.4442 0.2105
82 21 0.5558 0.7779 0.2105
83 22 0.235 0.47 0.299
84 22 0.53 0.765 0.299
85 23 0.2715 0.543 0.0923
86 23 0.457 0.7285 0.0923
87 24 0.4496 0.8992 0.1224
88 24 0.1008 0.5504 0.1224
89 25 0.0913 0.1826 0.3688
90 25 0.8174 0.9087 0.3688
91 26 0.9612 0.5709 0.2734
92 26 0.4291 0.3903 0.2734
93 27 0.516 0.032 0.1952
94 27 0.968 0.484 0.1952
95 28 0.6055 0.211 0.2469
96 28 0.789 0.3945 0.2469
97 29 0.0514 0.7733 0.0599
98 29 0.2267 0.2781 0.0599
99 30 0.1542 0.3084 0.1387
100 30 0.6916 0.8458 0.1387
101 31 0.0591 0.1182 0.0996
102 31 0.8818 0.9409 0.0996
103 32 0.0995 0.3977 0.3743
104 32 0.6023 0.7018 0.3743
105 33 0.9235 0.6319 0.1216
106 33 0.3681 0.2916 0.1216
107 34 0.8408 0.6816 0.0503
108 34 0.3184 0.1592 0.0503
109 35 0.2269 0.9734 0.2936
110 35 0.0266 0.2535 0.2936
111 36 0.2994 0.254 0.2115
112 36 0.746 0.0454 0.2115
113 37 0.8189 0.6378 0.2805
114 37 0.3622 0.1811 0.2805
115 38 0.7306 0.4612 0.1695
116 38 0.5388 0.2694 0.1695
117 41 0.0495 0.9505 0.7358
118 41 0.0495 0.099 0.7358
119 46 0.963 0.926 0.1931
120 46 0.074 0.037 0.1931
121 1 0.7409 0.0021 0.5008
122 1 0.6645 0.0721 0.8342
123 2 0.4847 0.9693 0.5035
124 2 0.6973 0.8487 0.8369
125 3 0.498 0.9959 0.4987
126 3 0.6707 0.8354 0.8321
127 4 0.6667 0.3333 0.2015
128 4 0.3333 0.6667 0.5349
129 5 0.6667 0.3333 0.4106
130 5 0.3333 0.6667 0.744
131 6 0.6667 0.3333 0.4566
132 6 0.3333 0.6667 0.79
133 7 0.8854 0.7707 0.3486
134 7 0.8959 0.448 0.682
135 8 0.9052 0.8103 0.3388
136 8 0.8563 0.4282 0.6722
137 9 0.1045 0.2089 0.6576
138 9 0.4577 0.2289 0.991
139 10 0.764 0.5279 0.5482
140 10 0.1387 0.5694 0.8816
141 11 0.2337 0.4673 0.4506
142 11 0.1993 0.0997 0.784
143 12 0.4028 0.8055 0.6501
144 12 0.8611 0.9306 0.9835
145 13 0.1635 0.3269 0.3333
146 13 0.3397 0.1699 0.6667
147 14 0.9297 0.8593 0.5835
148 14 0.8073 0.4037 0.9169
149 15 0.07 0.1399 0.4194
150 15 0.5267 0.2634 0.7528
151 16 0.2075 0.4149 0.5768
152 16 0.2517 0.1259 0.9102
153 17 0.79 0.5799 0.4256
154 17 0.0867 0.5434 0.759
155 18 0.9931 0.6046 0.5969
156 18 0.062 0.7218 0.9303
157 19 0.6047 0.996 0.4027
158 19 0.6706 0.942 0.7361
159 20 0.0612 0.1223 0.5815
160 20 0.5443 0.2722 0.9149
161 21 0.8888 0.7775 0.5438
162 21 0.8891 0.4446 0.8772
163 22 0.9017 0.8033 0.6323
164 22 0.8633 0.4317 0.9657
165 23 0.9382 0.8763 0.4256
166 23 0.7903 0.3952 0.759
167 24 0.1163 0.2325 0.4557
168 24 0.4341 0.2171 0.7891
169 25 0.758 0.5159 0.7021
170 25 0.1507 0.5754 0.0355
171 26 0.6279 0.9042 0.6067
172 26 0.7624 0.057 0.9401
173 27 0.1827 0.3653 0.5285
174 27 0.3013 0.1507 0.8619
175 28 0.2722 0.5443 0.5802
176 28 0.1223 0.0612 0.9136
177 29 0.7181 0.1066 0.3932
178 29 0.56 0.9448 0.7266
179 30 0.8209 0.6417 0.472
180 30 0.0249 0.5125 0.8054
181 31 0.7258 0.4515 0.4329
182 31 0.2151 0.6076 0.7663
183 32 0.7662 0.731 0.7076
184 32 0.9356 0.3685 0.041
185 33 0.5902 0.9652 0.4549
186 33 0.7014 0.9583 0.7883
187 34 0.5075 0.0149 0.3836
188 34 0.6517 0.8259 0.717
189 35 0.8936 0.3067 0.6269
190 35 0.3599 0.9202 0.9603
191 36 0.9661 0.5873 0.5448
192 36 0.0793 0.7121 0.8782
193 37 0.4856 0.9711 0.6138
194 37 0.6955 0.8478 0.9472
195 38 0.3973 0.7945 0.5028
196 38 0.8721 0.9361 0.8362
197 39 0.6667 0.3333 0.3587
198 39 0.3333 0.6667 0.6921
199 40 0.6667 0.3333 0.0656
200 40 0.3333 0.6667 0.399
201 41 0.7162 0.2838 0.0691
202 41 0.3828 0.7657 0.4025
203 42 0.6667 0.3333 0.0139
204 42 0.3333 0.6667 0.3473
205 43 0.6667 0.3333 0.6144
206 43 0.3333 0.6667 0.9478
207 44 0.6667 0.3333 0.581
208 44 0.3333 0.6667 0.9144
209 45 0.6667 0.3333 0.5071
210 45 0.3333 0.6667 0.8405
211 46 0.6297 0.2593 0.5264
212 46 0.4073 0.7037 0.8598
213 1 0.9979 0.7387 0.5008
214 1 0.9279 0.5925 0.8342
215 1 0.2613 0.2591 0.5008
216 1 0.4075 0.3354 0.8342
217 2 0.0307 0.5153 0.5035
218 2 0.1513 0.8487 0.8369
219 2 0.4847 0.5153 0.5035
220 2 0.1513 0.3026 0.8369
221 3 0.0041 0.502 0.4987
222 3 0.1646 0.8354 0.8321
223 3 0.498 0.502 0.4987
224 3 0.1646 0.3292 0.8321
225 7 0.2293 0.1146 0.3486
226 7 0.552 0.448 0.682
227 7 0.8854 0.1146 0.3486
228 7 0.552 0.104 0.682
229 8 0.1897 0.0948 0.3388
230 8 0.5718 0.4282 0.6722
231 8 0.9052 0.0948 0.3388
232 8 0.5718 0.1436 0.6722
233 9 0.7911 0.8955 0.6576
234 9 0.7711 0.2289 0.991
235 9 0.1045 0.8955 0.6576
236 9 0.7711 0.5422 0.991
237 10 0.4721 0.236 0.5482
238 10 0.4306 0.5694 0.8816
239 10 0.764 0.236 0.5482
240 10 0.4306 0.8612 0.8816
241 11 0.5327 0.7663 0.4506
242 11 0.9003 0.0997 0.784
243 11 0.2337 0.7663 0.4506
244 11 0.9003 0.8007 0.784
245 12 0.1945 0.5972 0.6501
246 12 0.0694 0.9306 0.9835
247 12 0.4028 0.5972 0.6501
248 12 0.0694 0.1388 0.9835
249 13 0.6731 0.8365 0.3333
250 13 0.8301 0.1699 0.6667
251 13 0.1635 0.8365 0.3333
252 13 0.8301 0.6603 0.6667
253 14 0.1407 0.0703 0.5835
254 14 0.5963 0.4037 0.9169
255 14 0.9297 0.0703 0.5835
256 14 0.5963 0.1927 0.9169
257 15 0.8601 0.93 0.4194
258 15 0.7366 0.2634 0.7528
259 15 0.07 0.93 0.4194
260 15 0.7366 0.4732 0.7528
261 16 0.5851 0.7925 0.5768
262 16 0.8741 0.1259 0.9102
263 16 0.2075 0.7925 0.5768
264 16 0.8741 0.7483 0.9102
265 17 0.4201 0.21 0.4256
266 17 0.4566 0.5434 0.759
267 17 0.79 0.21 0.4256
268 17 0.4566 0.9132 0.759
269 18 0.3954 0.3884 0.5969
270 18 0.2782 0.3403 0.9303
271 18 0.6116 0.0069 0.5969
272 18 0.6597 0.9379 0.9303
273 19 0.004 0.6086 0.4027
274 19 0.058 0.7287 0.7361
275 19 0.3914 0.3953 0.4027
276 19 0.2713 0.3293 0.7361
277 20 0.8777 0.9388 0.5815
278 20 0.7278 0.2722 0.9149
279 20 0.0612 0.9388 0.5815
280 20 0.7278 0.4557 0.9149
281 21 0.2225 0.1112 0.5438
282 21 0.5554 0.4446 0.8772
283 21 0.8888 0.1112 0.5438
284 21 0.5554 0.1109 0.8772
285 22 0.1967 0.0983 0.6323
286 22 0.5683 0.4317 0.9657
287 22 0.9017 0.0983 0.6323
288 22 0.5683 0.1367 0.9657
289 23 0.1237 0.0618 0.4256
290 23 0.6048 0.3952 0.759
291 23 0.9382 0.0618 0.4256
292 23 0.6048 0.2096 0.759
293 24 0.7675 0.8837 0.4557
294 24 0.7829 0.2171 0.7891
295 24 0.1163 0.8837 0.4557
296 24 0.7829 0.5658 0.7891
297 25 0.4841 0.242 0.7021
298 25 0.4246 0.5754 0.0355
299 25 0.758 0.242 0.7021
300 25 0.4246 0.8493 0.0355
301 26 0.0958 0.7236 0.6067
302 26 0.943 0.7055 0.9401
303 26 0.2764 0.3721 0.6067
304 26 0.2945 0.2375 0.9401
305 27 0.6347 0.8173 0.5285
306 27 0.8493 0.1507 0.8619
307 27 0.1827 0.8173 0.5285
308 27 0.8493 0.6987 0.8619
309 28 0.4557 0.7278 0.5802
310 28 0.9388 0.0612 0.9136
311 28 0.2722 0.7278 0.5802
312 28 0.9388 0.8776 0.9136
313 29 0.8934 0.6114 0.3932
314 29 0.0552 0.6153 0.7266
315 29 0.3886 0.2819 0.3932
316 29 0.3847 0.4399 0.7266
317 30 0.3583 0.1791 0.472
318 30 0.4875 0.5125 0.8054
319 30 0.8209 0.1791 0.472
320 30 0.4875 0.975 0.8054
321 31 0.5485 0.2742 0.4329
322 31 0.3924 0.6076 0.7663
323 31 0.7258 0.2742 0.4329
324 31 0.3924 0.7848 0.7663
325 32 0.269 0.0351 0.7076
326 32 0.6315 0.5672 0.041
327 32 0.9649 0.2338 0.7076
328 32 0.4328 0.0643 0.041
329 33 0.0348 0.6249 0.4549
330 33 0.0417 0.7432 0.7883
331 33 0.3751 0.4098 0.4549
332 33 0.2568 0.2985 0.7883
333 34 0.9851 0.4925 0.3836
334 34 0.1741 0.8259 0.717
335 34 0.5075 0.4925 0.3836
336 34 0.1741 0.3482 0.717
337 35 0.6933 0.5868 0.6269
338 35 0.0798 0.4398 0.9603
339 35 0.4132 0.1064 0.6269
340 35 0.5602 0.64 0.9603
341 36 0.4127 0.3787 0.5448
342 36 0.2879 0.3673 0.8782
343 36 0.6213 0.0339 0.5448
344 36 0.6327 0.9206 0.8782
345 37 0.0289 0.5144 0.6138
346 37 0.1522 0.8478 0.9472
347 37 0.4856 0.5144 0.6138
348 37 0.1522 0.3044 0.9472
349 38 0.2055 0.6027 0.5028
350 38 0.0639 0.9361 0.8362
351 38 0.3973 0.6027 0.5028
352 38 0.0639 0.1278 0.8362
353 41 0.7162 0.4323 0.0691
354 41 0.2343 0.6172 0.4025
355 41 0.5677 0.2838 0.0691
356 41 0.3828 0.6172 0.4025
357 46 0.7407 0.3703 0.5264
358 46 0.2963 0.7037 0.8598
359 46 0.6297 0.3703 0.5264
360 46 0.2963 0.5926 0.8598
361 1 0.5946 0.6688 0.1675
362 18 0.9449 0.2713 0.2636
363 19 0.7247 0.6627 0.0694
364 26 0.6097 0.5709 0.2734
365 29 0.7219 0.7733 0.0599
366 32 0.2982 0.3977 0.3743
367 33 0.7084 0.6319 0.1216
368 35 0.7465 0.9734 0.2936
369 36 0.9546 0.254 0.2115
370 1 0.0742 0.4054 0.1675
371 1 0.3312 0.9258 0.1675
372 18 0.3264 0.0551 0.2636
373 18 0.7287 0.6736 0.2636
374 19 0.938 0.2753 0.0694
375 19 0.3373 0.062 0.0694
376 26 0.9612 0.3903 0.2734
377 26 0.4291 0.0388 0.2734
378 29 0.0514 0.2781 0.0599
379 29 0.2267 0.9486 0.0599
380 32 0.0995 0.7018 0.3743
381 32 0.6023 0.9005 0.3743
382 33 0.9235 0.2916 0.1216
383 33 0.3681 0.0765 0.1216
384 35 0.2269 0.2535 0.2936
385 35 0.0266 0.7731 0.2936
386 36 0.2994 0.0454 0.2115
387 36 0.746 0.7006 0.2115
388 1 0.7409 0.7387 0.5008
389 1 0.6645 0.5925 0.8342
390 18 0.9931 0.3884 0.5969
391 18 0.062 0.3403 0.9303
392 19 0.6047 0.6086 0.4027
393 19 0.6706 0.7287 0.7361
394 26 0.6279 0.7236 0.6067
395 26 0.7624 0.7055 0.9401
396 29 0.7181 0.6114 0.3932
397 29 0.56 0.6153 0.7266
398 32 0.7662 0.0351 0.7076
399 32 0.9356 0.5672 0.041
400 33 0.5902 0.6249 0.4549
401 33 0.7014 0.7432 0.7883
402 35 0.8936 0.5868 0.6269
403 35 0.3599 0.4398 0.9603
404 36 0.9661 0.3787 0.5448
405 36 0.0793 0.3673 0.8782
406 1 0.9979 0.2591 0.5008
407 1 0.9279 0.3355 0.8342
408 1 0.2613 0.0021 0.5008
409 1 0.4075 0.0721 0.8342
410 18 0.3954 0.0069 0.5969
411 18 0.2782 0.938 0.9303
412 18 0.6116 0.6046 0.5969
413 18 0.6597 0.7218 0.9303
414 19 0.004 0.3953 0.4027
415 19 0.058 0.3294 0.7361
416 19 0.3914 0.996 0.4027
417 19 0.2713 0.942 0.7361
418 26 0.0958 0.3721 0.6067
419 26 0.943 0.2376 0.9401
420 26 0.2764 0.9042 0.6067
421 26 0.2945 0.057 0.9401
422 29 0.8934 0.2819 0.3932
423 29 0.0552 0.44 0.7266
424 29 0.3886 0.1066 0.3932
425 29 0.3847 0.9448 0.7266
426 32 0.269 0.2338 0.7076
427 32 0.6315 0.0644 0.041
428 32 0.9649 0.731 0.7076
429 32 0.4328 0.3685 0.041
430 33 0.0348 0.4098 0.4549
431 33 0.0417 0.2986 0.7883
432 33 0.3751 0.9652 0.4549
433 33 0.2568 0.9583 0.7883
434 35 0.6933 0.1064 0.6269
435 35 0.0798 0.6401 0.9603
436 35 0.4132 0.3067 0.6269
437 35 0.5602 0.9202 0.9603
438 36 0.4127 0.0339 0.5448
439 36 0.2879 0.9207 0.8782
440 36 0.6213 0.5873 0.5448
441 36 0.6327 0.7121 0.8782
X-ray density (g/cm cub.) = 2.88
MU (1/cm) = 237.757 Mass attenuation coefficient (cm**2/g) = 82.466
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 3.42 7
2.3854 33
2.2976 21
3.3756 23
2.3439 24
2.4428 27
2.3597 30
2.3791 36
2 Fe ,Mn 3.264 5
2.1223 33
2.1642 38
2.0992 36
2.0992 36
2.1224 33
3 Fe ,Fe 3.132 5
2.0603 33
2.4965 38
2.09 36
2.09 36
2.0603 33
4 W ,Nb 2.988 6
2.0386 28
1.8535 38
2.0387 28
2.0388 28
1.8534 38
1.8533 38
5 Si ,Si 2.64 4
1.6098 31
1.5614 39
1.6097 31
1.6097 31
6 Si ,Si 2.64 7
1.6278 31
1.5192 45
2.291 46
1.6277 31
1.6277 31
2.2911 46
2.2911 46
7 Na ,Na 3.348 8
2.6599 23
2.6944 29
2.6681 25
2.5982 35
2.6679 25
2.6289 37
2.6945 29
2.5984 35
8 Na ,Na 3.348 9
2.7362 23
3.2112 29
2.4757 25
2.4644 35
2.9209 43
2.4754 25
2.7647 37
3.2113 29
2.4646 35
9 Na 3.348 10
2.528 20
2.6269 22
2.6269 22
2.845 26
2.6614 32
2.6773 42
2.4821 34
2.7168 41
2.845 26
2.6613 32
10 Na ,K ,Ca 3.768 13
3.093 21
2.6908 30
3.5953 31
2.574 36
3.1258 43
2.6035 44
2.708 45
3.3895 46
2.8613 35
2.206 46
2.206 46
2.8613 35
2.5741 36
11 Na ,Sr 3.612 11
2.911 24
2.6621 27
2.5377 33
2.6751 38
2.6751 38
2.9166 40
2.8345 32
2.5822 41
2.5821 41
2.5378 33
2.8347 32
12 Na ,Na 3.348 8
3.0839 26
2.3229 37
2.6585 28
2.6585 28
3.135 29
2.1324 39
3.0839 26
3.1351 29
13 Na ,Na 3.348 6
2.0504 22
2.0812 25
2.0743 32
2.0749 35
2.0751 35
2.0744 32
14 Si 2.64 4
1.5659 21
1.6236 22
1.641 20
1.641 20
15 Si 2.64 4
1.5833 24
1.6516 23
1.6516 23
1.6124 25
16 Si 2.64 4
1.5775 27
1.6053 28
1.6601 26
1.6602 26
17 Si 2.64 4
1.5918 30
1.6048 31
1.6348 29
1.6348 29
18 Si 2.64 4
1.6035 36
1.6246 26
1.6861 37
1.5941 35
19 Si 2.64 4
1.6268 29
1.6161 33
1.6461 34
1.5977 32
20 O 3.804 10
3.4049 27
2.6232 20
2.6232 20
2.6448 21
2.6448 21
2.6212 22
2.6212 22
3.4361 26
3.3429 42
3.436 26
21 O 3.804 9
2.6815 22
3.7604 23
2.7372 30
3.4089 36
2.6448 20
2.6448 20
3.7247 35
3.7247 35
3.409 36
22 O 3.804 12
2.6815 21
2.8196 32
2.6212 20
2.6212 20
3.5711 26
3.043 35
3.7595 41
2.8349 42
3.7595 41
3.5712 26
2.8196 32
3.0431 35
23 O 3.804 10
3.7604 21
3.2225 30
2.652 23
2.652 23
2.6541 24
2.6541 24
3.6436 29
2.6302 25
2.63 25
3.6437 29
24 O 3.804 8
2.7386 27
2.6541 23
2.6541 23
3.2766 33
2.6876 25
3.4929 32
3.2765 33
3.493 32
25 O 3.804 8
3.0227 32
3.4744 43
2.8175 35
2.63 23
2.63 23
2.6872 24
3.0225 32
2.8175 35
26 O 3.804 10
2.6541 37
3.4361 20
3.5711 22
2.6848 27
2.6166 28
2.6627 36
3.5708 34
2.6261 35
2.5818 26
3.5951 32
27 O 3.804 11
3.4049 20
2.7386 24
2.7075 28
2.6848 26
3.3351 33
3.2341 36
3.3341 38
3.3341 38
2.6848 26
3.3351 33
3.2341 36
28 O 3.804 10
2.7075 27
2.6166 26
2.6234 28
2.6234 28
3.4373 37
3.4373 37
2.7972 38
2.7972 38
3.6895 39
2.6167 26
29 O 3.804 9
2.6793 33
2.6305 34
3.6436 23
2.7075 30
2.6299 31
3.6305 37
2.5061 29
2.6213 32
3.6815 35
30 O 3.804 9
2.7372 21
3.2225 23
2.6322 31
3.3652 36
2.7075 29
3.2261 33
2.7076 29
3.2262 33
3.3653 36
31 O 3.804 12
2.6322 30
2.6692 39
2.6692 45
3.6843 46
2.6299 29
2.5345 31
2.5345 31
3.7567 34
3.7567 34
3.0907 46
3.0907 46
2.6298 29
32 O 3.804 13
2.8196 22
3.0227 25
3.0135 35
2.6097 34
3.6955 40
2.8687 41
3.7105 42
3.4929 24
3.7762 41
3.5952 26
2.8405 32
2.621 29
2.6326 33
33 O 3.804 10
2.6793 29
2.7099 34
2.9844 38
3.2766 24
3.3351 27
3.2261 30
2.8356 36
3.3106 41
3.0751 33
2.633 32
34 O 3.804 11
2.6305 29
2.7099 33
3.7567 31
3.7567 31
3.5711 26
2.6097 32
3.1377 41
2.6305 29
2.71 33
3.571 26
2.61 32
35 O 3.804 11
3.4701 43
3.7157 44
3.7247 21
3.043 22
2.8175 25
3.0135 32
2.6402 37
2.6261 26
2.8635 35
2.6771 36
3.6812 29
36 O 3.804 10
3.4089 21
3.3652 30
2.6627 26
3.2341 27
2.8356 33
2.6715 37
3.5504 38
3.2119 46
2.6772 35
2.9821 36
37 O 3.804 10
2.6541 26
3.4373 28
3.4373 28
2.6402 35
2.6715 36
3.6302 29
2.64 35
2.6715 36
2.6542 26
3.6302 29
38 O 3.804 12
2.9844 33
3.3341 27
3.3341 27
2.7972 28
2.7972 28
3.5504 36
2.7418 38
2.7418 38
3.503 40
3.0406 41
3.5503 36
2.9844 33
39 O ,O 3.804 6
2.6692 31
2.6691 31
2.6691 31
3.6898 28
3.6898 28
3.6899 28
40 Cl ,OH 4.344 25
1.2302 41
1.5553 42
1.2303 41
1.2302 41
3.8696 22
3.6956 32
4.343 33
4.3364 34
3.5027 38
3.8696 22
3.8697 22
3.6955 32
3.6957 32
4.343 33
4.3428 33
4.3363 34
4.3362 34
3.5026 38
3.5026 38
3.6956 32
4.343 33
3.6955 32
3.6957 32
4.343 33
4.3428 33
41 Cl ,OH 4.344 16
1.2302 40
2.064 42
2.123 41
2.123 41
3.7598 22
2.8688 32
3.3105 33
3.1377 34
3.0403 38
3.7599 22
3.7764 32
3.8812 38
3.8812 38
2.8688 32
3.3105 33
3.7764 32
42 Cl ,OH 4.344 16
1.5553 40
2.064 41
2.0641 41
2.064 41
3.3432 20
2.835 22
3.7105 32
3.3432 20
3.3431 20
2.835 22
2.8351 22
3.7104 32
3.7106 32
3.7105 32
3.7104 32
3.7106 32
43 Cl ,OH 4.344 14
3.4744 25
3.4701 35
1.0048 44
3.228 45
2.8014 46
3.4744 25
3.4744 25
3.4701 35
3.47 35
2.8015 46
2.8015 46
3.4701 35
3.4701 35
3.47 35
44 Cl ,OH 4.344 20
4.2876 25
3.7157 35
4.1412 36
1.0048 43
2.2232 45
1.8808 46
4.2875 25
4.2875 25
3.7158 35
3.7157 35
4.1411 36
4.141 36
1.8809 46
1.8809 46
3.7157 35
4.1412 36
3.7158 35
3.7157 35
4.1411 36
4.141 36
45 Cl ,OH 4.344 17
3.9615 30
2.6692 31
4.1533 36
3.228 43
2.2232 44
1.0847 46
3.9614 30
3.9614 30
2.6691 31
2.6691 31
4.1532 36
4.1531 36
1.0848 46
1.0848 46
4.1533 36
4.1532 36
4.1531 36
46 Cl ,OH 4.344 16
3.6843 31
2.8014 43
1.8808 44
1.0847 45
3.8207 30
3.8207 30
3.0907 31
3.0907 31
4.0906 35
4.259 36
3.2119 36
1.587 46
1.587 46
4.0906 35
3.212 36
4.2589 36
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 1 4.481 8.962 0.044 324.69 6 289.3 574.9
2 0 0 3 5.117 10.235 0.05 248.41 2 467.8 383.4
3 1 0 -2 5.369 10.738 0.052 225.45 6 232.5 258.0
4 1 1 0 7.189 14.377 0.07 124.77 6 124.1 40.7
5 1 0 4 7.999 15.998 0.078 100.34 6 262.3 146.1
6 2 0 -1 8.483 16.967 0.082 88.96 6 106.7 21.4
7 1 1 3 8.84 17.679 0.086 81.76 12 49.2 8.4
8 2 0 2 8.989 17.979 0.087 78.99 6 154.5 39.9
9 1 0 -5 9.514 19.028 0.092 70.28 6 123.8 22.8
10 0 0 6 10.276 20.552 0.1 59.93 2 398.4 67.1
11 2 0 -4 10.786 21.572 0.105 54.2 6 278.2 88.8
12 2 1 1 11.154 22.308 0.108 50.55 12 22.2 1.0
13 2 1 -2 11.548 23.095 0.112 47.02 12 153.7 47.0
14 2 0 5 11.965 23.93 0.116 43.66 6 193.2 34.5
15 3 0 0 12.518 25.035 0.121 39.71 6 204.3 35.1
16 1 1 6 12.586 25.172 0.122 39.25 12 128.5 27.4
17 1 0 7 12.727 25.454 0.123 38.34 6 77.6 4.9
18 2 1 4 13.01 26.02 0.126 36.6 12 285.3 126.1
19 3 0 -3 13.555 27.11 0.131 33.56 6 164.1 19.1
20 3 0 3 13.555 27.11 0.131 33.56 6 256.1 46.6
21 2 1 -5 14.014 28.027 0.135 31.27 12 237.7 74.8
22 1 0 -8 14.394 28.788 0.139 29.54 6 195.5 23.9
23 2 2 0 14.494 28.987 0.14 29.11 6 278.2 47.7
24 2 0 -7 14.677 29.354 0.142 28.34 6 277.7 46.3
25 3 1 -1 15.2 30.399 0.147 26.29 12 655.4 478.0
26 2 2 3 15.408 30.816 0.149 25.53 12 177.9 34.2
27 3 1 2 15.497 30.994 0.149 25.22 12 175.7 32.9
28 0 0 9 15.521 31.042 0.15 25.13 2 267.2 12.7
29 2 0 8 16.159 32.318 0.156 23.04 6 574.7 161.1
30 3 0 -6 16.303 32.606 0.157 22.6 6 106.0 5.4
31 3 0 6 16.303 32.606 0.157 22.6 6 431.3 89.0
32 2 1 7 16.414 32.829 0.158 22.27 12 627.8 371.6
33 3 1 -4 16.64 33.28 0.16 21.62 12 194.0 34.5
34 4 0 1 16.889 33.777 0.162 20.94 6 333.6 49.3
35 4 0 -2 17.16 34.32 0.165 20.22 6 263.4 29.7
36 1 1 9 17.182 34.363 0.165 20.17 12 479.1 196.0
37 3 1 5 17.453 34.906 0.168 19.49 12 813.2 545.5
38 2 1 -8 17.767 35.534 0.171 18.75 12 162.9 21.1
39 1 0 10 17.817 35.633 0.171 18.63 6 195.9 15.1
40 2 2 6 17.899 35.798 0.172 18.44 12 298.0 69.3
41 4 0 4 18.21 36.42 0.175 17.76 6 931.4 326.0
42 3 2 1 18.44 36.881 0.177 17.28 12 198.9 28.9
43 3 2 -2 18.692 37.384 0.179 16.77 12 214.0 32.5
44 4 0 -5 18.965 37.929 0.182 16.24 6 461.6 73.2
45 2 0 -10 19.304 38.607 0.185 15.62 6 292.9 28.4
46 4 1 0 19.334 38.668 0.185 15.56 12 172.4 19.6
47 3 1 -7 19.477 38.953 0.186 15.31 12 182.2 21.5
48 1 0 -11 19.569 39.137 0.187 15.15 6 169.9 9.3
49 3 2 4 19.671 39.343 0.188 14.98 12 331.6 69.7
50 4 1 -3 20.053 40.105 0.192 14.35 12 180.7 19.8
51 4 1 3 20.053 40.105 0.192 14.35 12 39.0 0.9
52 3 0 -9 20.142 40.285 0.192 14.21 6 720.7 156.2
53 3 0 9 20.142 40.285 0.192 14.21 6 304.9 27.9
54 3 2 -5 20.38 40.76 0.195 13.84 12 192.9 21.8
55 3 1 8 20.655 41.311 0.197 13.43 12 385.8 84.6
56 2 1 10 20.699 41.399 0.198 13.37 12 267.0 40.3
57 4 0 7 20.863 41.726 0.199 13.14 6 236.2 15.5
58 0 0 12 20.903 41.806 0.199 13.08 2 310.9 8.9
59 2 0 11 20.95 41.9 0.2 13.02 6 320.8 28.3
60 5 0 -1 21.251 42.502 0.203 12.61 6 305.1 24.8
61 5 0 2 21.475 42.95 0.205 12.31 6 193.3 9.7
62 2 2 9 21.493 42.986 0.205 12.29 12 119.3 7.4
63 4 0 -8 21.98 43.96 0.209 11.69 6 167.2 6.9
64 3 3 0 22.049 44.099 0.21 11.6 6 575.0 81.2
65 4 1 -6 22.091 44.182 0.21 11.55 12 375.4 68.9
66 4 1 6 22.091 44.182 0.21 11.55 12 210.3 21.6
67 3 2 7 22.177 44.355 0.211 11.45 12 243.2 28.7
68 1 1 12 22.216 44.431 0.211 11.41 12 78.2 3.0
69 2 1 -11 22.26 44.521 0.212 11.36 12 144.4 10.0
70 5 0 -4 22.353 44.706 0.213 11.25 6 51.2 0.6
71 4 2 -1 22.547 45.095 0.214 11.03 12 254.0 30.1
72 3 3 3 22.697 45.394 0.216 10.87 12 166.7 12.8
73 4 2 2 22.761 45.522 0.216 10.8 12 137.3 8.6
74 5 0 5 22.994 45.987 0.218 10.56 6 223.0 11.1
75 1 0 13 23.154 46.309 0.22 10.39 6 122.5 3.3
76 3 2 -8 23.244 46.488 0.221 10.3 12 163.6 11.7
77 3 1 -10 23.284 46.568 0.221 10.26 12 110.8 5.3
78 4 2 -4 23.601 47.202 0.224 9.95 12 197.9 16.5
79 5 1 1 23.788 47.576 0.225 9.77 12 318.2 41.9
80 5 1 -2 23.993 47.986 0.227 9.59 12 321.2 41.9
81 4 2 5 24.216 48.432 0.229 9.39 12 132.4 7.0
82 2 0 -13 24.371 48.742 0.231 9.25 6 314.9 19.4
83 4 0 10 24.496 48.991 0.232 9.14 6 389.3 29.3
84 3 3 6 24.559 49.119 0.232 9.09 12 81.5 2.6
85 5 0 -7 24.639 49.278 0.233 9.02 6 433.3 35.9
86 3 0 -12 24.674 49.349 0.233 8.99 6 196.5 7.4
87 3 0 12 24.674 49.349 0.233 8.99 6 268.6 13.7
88 3 1 11 24.716 49.431 0.234 8.96 12 371.6 52.4
89 5 1 4 24.801 49.602 0.234 8.89 12 400.4 60.3
90 1 0 -14 24.991 49.982 0.236 8.74 6 602.4 67.1
91 4 1 -9 25.195 50.389 0.238 8.58 12 187.5 12.8
92 4 1 9 25.195 50.389 0.238 8.58 12 130.0 6.1
93 5 1 -5 25.394 50.789 0.24 8.42 12 188.3 12.6
94 2 1 13 25.544 51.087 0.241 8.31 12 138.7 6.8
95 5 0 8 25.627 51.254 0.242 8.25 6 181.2 5.7
96 3 2 10 25.664 51.328 0.242 8.22 12 341.9 40.7
97 6 0 0 25.689 51.377 0.242 8.21 6 352.6 21.6
98 4 2 -7 25.803 51.606 0.243 8.12 12 514.7 91.1
99 2 2 12 25.837 51.674 0.244 8.1 12 90.3 2.8
100 4 0 -11 25.877 51.754 0.244 8.07 6 175.7 5.3
101 4 3 1 26.134 52.267 0.246 7.89 12 166.5 9.3
102 2 0 14 26.143 52.286 0.246 7.88 6 246.5 10.1
103 6 0 -3 26.268 52.535 0.247 7.8 6 146.7 3.6
104 6 0 3 26.268 52.535 0.247 7.8 6 386.0 24.6
105 4 3 -2 26.325 52.65 0.248 7.76 12 247.0 20.0
106 0 0 15 26.486 52.972 0.249 7.65 2 355.4 6.8
107 4 2 8 26.76 53.519 0.252 7.48 12 485.2 74.5
108 5 2 0 26.82 53.639 0.252 7.44 12 258.3 21.0
109 5 1 7 26.93 53.861 0.253 7.37 12 311.9 30.3
110 3 2 -11 27.002 54.004 0.254 7.33 12 92.8 2.7
111 4 3 4 27.082 54.164 0.254 7.28 12 252.2 19.6
112 2 1 -14 27.261 54.521 0.256 7.17 12 216.7 14.2
113 5 2 -3 27.382 54.763 0.257 7.1 12 186.7 10.5
114 5 2 3 27.382 54.763 0.257 7.1 12 134.9 5.5
115 3 3 9 27.452 54.905 0.258 7.05 12 591.4 104.4
116 1 1 15 27.594 55.188 0.259 6.97 12 47.8 0.7
117 4 3 -5 27.641 55.281 0.259 6.95 12 36.8 0.4
118 3 1 -13 27.782 55.563 0.261 6.87 12 323.6 30.4
119 5 1 -8 27.86 55.72 0.261 6.82 12 201.9 11.8
120 5 0 -10 27.895 55.791 0.262 6.8 6 223.9 7.2
121 6 0 -6 27.953 55.907 0.262 6.77 6 232.0 7.7
122 6 0 6 27.953 55.907 0.262 6.77 6 599.9 51.6
123 6 1 -1 28.339 56.678 0.265 6.56 12 309.6 26.6
124 6 1 2 28.52 57.041 0.267 6.47 12 192.4 10.1
125 1 0 16 28.762 57.523 0.269 6.35 6 346.7 16.1
126 4 0 13 28.856 57.712 0.27 6.3 6 10.5 0.0
127 4 2 -10 28.967 57.934 0.271 6.25 12 225.9 13.5
128 5 2 -6 29.024 58.047 0.271 6.22 12 335.2 29.6
129 5 2 6 29.024 58.047 0.271 6.22 12 221.7 12.9
130 4 3 7 29.095 58.189 0.272 6.18 12 293.3 22.5
131 4 1 -12 29.126 58.252 0.272 6.17 12 328.2 28.1
132 4 1 12 29.126 58.252 0.272 6.17 12 218.6 12.5
133 5 0 11 29.163 58.326 0.272 6.15 6 136.1 2.4
134 6 1 -4 29.239 58.478 0.273 6.12 12 234.5 14.2
135 3 1 14 29.409 58.818 0.274 6.04 12 17.3 0.1
136 3 0 -15 29.726 59.453 0.277 5.89 6 513.5 32.9
137 3 0 15 29.726 59.453 0.277 5.89 6 70.2 0.6
138 6 1 5 29.771 59.541 0.278 5.87 12 294.5 21.6
139 2 0 -16 29.813 59.626 0.278 5.85 6 221.0 6.1
140 3 2 13 29.905 59.81 0.279 5.81 12 305.1 22.9
141 4 3 -8 29.98 59.96 0.279 5.78 12 146.4 5.2
142 5 1 10 30.014 60.027 0.28 5.77 12 315.7 24.3
143 4 4 0 30.036 60.072 0.28 5.76 6 1049.5 134.2
144 4 2 11 30.206 60.411 0.281 5.69 12 93.1 2.1
145 5 3 -1 30.438 60.875 0.283 5.59 12 197.2 9.2
146 7 0 1 30.438 60.875 0.283 5.59 6 263.3 8.2
147 4 0 -14 30.446 60.893 0.283 5.59 6 638.7 48.2
148 4 4 3 30.559 61.118 0.284 5.54 12 288.1 19.5
149 5 3 2 30.611 61.223 0.285 5.52 12 156.4 5.7
150 7 0 -2 30.611 61.223 0.285 5.52 6 101.4 1.2
151 6 0 -9 30.625 61.251 0.285 5.51 6 291.4 9.9
152 6 0 9 30.625 61.251 0.285 5.51 6 82.1 0.8
153 1 0 -17 30.703 61.405 0.285 5.48 6 60.9 0.4
154 2 2 15 30.757 61.515 0.286 5.46 12 172.8 6.9
155 2 1 16 30.842 61.685 0.287 5.43 12 109.7 2.8
156 6 1 -7 31.162 62.323 0.289 5.31 12 161.3 5.8
157 3 3 12 31.192 62.384 0.29 5.29 12 317.3 22.6
158 5 1 -11 31.227 62.454 0.29 5.28 12 145.5 4.7
159 5 3 -4 31.3 62.601 0.29 5.25 12 159.4 5.6
160 7 0 4 31.3 62.601 0.29 5.25 6 546.1 33.2
161 6 2 1 31.455 62.91 0.292 5.2 12 132.2 3.8
162 3 2 -14 31.463 62.927 0.292 5.19 12 201.6 8.9
163 6 2 -2 31.625 63.251 0.293 5.14 12 267.0 15.5
164 5 2 -9 31.639 63.278 0.293 5.13 12 88.0 1.7
165 5 2 9 31.639 63.278 0.293 5.13 12 238.3 12.3
166 2 0 17 31.715 63.43 0.294 5.1 6 126.4 1.7
167 5 3 5 31.811 63.623 0.295 5.07 12 156.2 5.2
168 7 0 -5 31.811 63.623 0.295 5.07 6 507.5 27.6
169 5 0 -13 31.941 63.882 0.296 5.03 6 170.5 3.1
170 6 1 8 32.013 64.026 0.296 5.0 12 133.8 3.8
171 4 3 10 32.045 64.091 0.297 4.99 12 290.6 17.8
172 4 4 6 32.099 64.198 0.297 4.97 12 443.9 41.5
173 6 2 4 32.302 64.604 0.299 4.91 12 68.2 1.0
174 0 0 18 32.356 64.712 0.299 4.89 2 394.8 5.4
175 2 1 -17 32.71 65.419 0.302 4.77 12 187.7 7.1
176 6 2 -5 32.805 65.609 0.303 4.74 12 214.8 9.3
177 3 1 -16 32.845 65.689 0.303 4.73 12 395.0 31.3
178 4 2 -13 32.932 65.864 0.304 4.71 12 242.9 11.8
179 7 1 0 33.056 66.111 0.305 4.67 12 132.3 3.5
180 5 3 -7 33.153 66.306 0.306 4.64 12 65.2 0.8
181 7 0 7 33.153 66.306 0.306 4.64 6 156.8 2.4
182 4 3 -11 33.216 66.433 0.306 4.62 12 269.9 14.2
183 1 1 18 33.34 66.681 0.307 4.58 12 373.9 27.1
184 5 0 14 33.445 66.89 0.308 4.55 6 210.8 4.3
185 7 1 -3 33.552 67.104 0.309 4.52 12 188.7 6.8
186 7 1 3 33.552 67.104 0.309 4.52 12 174.5 5.8
187 4 1 -15 33.741 67.482 0.31 4.47 12 172.7 5.6
188 4 1 15 33.741 67.482 0.31 4.47 12 96.3 1.8
189 4 0 16 33.822 67.644 0.311 4.45 6 884.4 73.6
190 5 1 13 33.908 67.815 0.312 4.42 12 184.9 6.4
191 5 3 8 33.978 67.955 0.312 4.4 12 257.0 12.3
192 7 0 -8 33.978 67.955 0.312 4.4 6 426.2 16.9
193 6 1 -10 34.009 68.018 0.313 4.4 12 493.4 45.3
194 6 2 7 34.126 68.252 0.314 4.37 12 264.5 12.9
195 6 0 -12 34.155 68.309 0.314 4.36 6 140.8 1.8
196 6 0 12 34.155 68.309 0.314 4.36 6 66.4 0.4
197 5 4 1 34.406 68.811 0.316 4.29 12 174.0 5.5
198 4 2 14 34.414 68.828 0.316 4.29 12 336.9 20.6
199 5 4 -2 34.568 69.137 0.317 4.25 12 327.8 19.3
200 4 4 9 34.582 69.163 0.317 4.25 12 129.2 3.0
201 3 1 17 34.654 69.308 0.318 4.23 12 75.7 1.0
202 1 0 19 34.716 69.432 0.318 4.21 6 193.7 3.3
203 3 2 16 34.785 69.571 0.319 4.2 12 408.1 29.6
204 6 2 -8 34.939 69.879 0.32 4.16 12 99.4 1.7
205 6 3 0 34.991 69.981 0.321 4.15 12 292.9 15.1
206 7 1 -6 35.021 70.043 0.321 4.14 12 239.2 10.0
207 7 1 6 35.021 70.043 0.321 4.14 12 190.2 6.3
208 5 2 -12 35.114 70.228 0.322 4.12 12 164.9 4.7
209 5 2 12 35.114 70.228 0.322 4.12 12 394.6 27.1
210 6 1 11 35.147 70.294 0.322 4.11 12 154.0 4.1
211 5 4 4 35.216 70.432 0.322 4.09 12 343.1 20.4
212 3 0 -18 35.268 70.536 0.323 4.08 6 317.4 8.7
213 3 0 18 35.268 70.536 0.323 4.08 6 205.9 3.7
214 8 0 -1 35.362 70.724 0.324 4.06 6 462.4 18.4
215 5 1 -14 35.37 70.74 0.324 4.06 12 428.0 31.5
216 6 3 -3 35.474 70.949 0.324 4.03 12 225.8 8.7
217 6 3 3 35.474 70.949 0.324 4.03 12 28.9 0.1
218 8 0 2 35.523 71.045 0.325 4.02 6 415.5 14.7
219 4 0 -17 35.607 71.215 0.325 4.0 6 382.7 12.4
220 3 3 15 35.658 71.316 0.326 3.99 12 204.0 7.0
221 2 0 -19 35.669 71.337 0.326 3.99 6 241.9 4.9
222 5 4 -5 35.699 71.397 0.326 3.98 12 196.1 6.5
223 4 3 13 35.821 71.642 0.327 3.96 12 338.6 19.2
224 5 3 -10 35.92 71.84 0.328 3.94 12 171.0 4.9
225 7 0 10 35.92 71.84 0.328 3.94 6 141.4 1.7
226 8 0 -4 36.163 72.326 0.33 3.89 6 112.7 1.0
227 2 2 18 36.214 72.428 0.33 3.87 12 24.3 0.1
228 7 2 -1 36.307 72.614 0.331 3.86 12 298.3 14.5
229 7 2 2 36.466 72.932 0.332 3.82 12 205.5 6.8
230 3 2 -17 36.55 73.1 0.333 3.81 12 37.8 0.2
231 2 1 19 36.611 73.221 0.333 3.79 12 62.6 0.6
232 8 0 5 36.64 73.28 0.334 3.79 6 195.3 3.1
233 5 0 -16 36.678 73.357 0.334 3.78 6 304.9 7.4
234 1 0 -20 36.799 73.599 0.335 3.76 6 251.8 5.0
235 6 2 10 36.859 73.718 0.335 3.75 12 151.0 3.6
236 6 3 -6 36.909 73.818 0.336 3.74 12 175.3 4.9
237 6 3 6 36.909 73.818 0.336 3.74 12 180.1 5.1
238 5 4 7 36.972 73.944 0.336 3.73 12 417.4 27.5
239 5 3 11 37.032 74.065 0.337 3.71 12 542.8 46.3
240 7 0 -11 37.032 74.065 0.337 3.71 6 420.5 13.9
241 7 2 -4 37.1 74.2 0.337 3.7 12 312.8 15.3
242 4 3 -14 37.25 74.501 0.338 3.67 12 511.2 40.6
243 7 1 -9 37.413 74.826 0.34 3.64 12 169.5 4.4
244 7 1 9 37.413 74.826 0.34 3.64 12 179.7 5.0
245 7 2 5 37.573 75.145 0.341 3.62 12 259.5 10.3
246 4 2 -16 37.61 75.221 0.341 3.61 12 247.9 9.4
247 6 1 -13 37.692 75.385 0.342 3.6 12 182.5 5.1
248 2 0 20 37.73 75.461 0.342 3.59 6 111.4 0.9
249 5 4 -8 37.76 75.519 0.342 3.58 12 208.7 6.6
250 8 0 -7 37.901 75.803 0.343 3.56 6 91.2 0.6
251 4 4 12 37.929 75.858 0.344 3.56 12 84.6 1.1
252 6 2 -11 37.961 75.923 0.344 3.55 12 113.0 1.9
253 8 1 1 38.17 76.339 0.345 3.52 12 280.3 11.7
254 8 1 -2 38.326 76.652 0.347 3.49 12 39.4 0.2
255 5 0 17 38.408 76.817 0.347 3.48 6 280.5 5.8
256 6 0 -15 38.458 76.915 0.348 3.47 6 145.1 1.5
257 6 0 15 38.458 76.915 0.348 3.47 6 370.9 10.1
258 3 1 -19 38.468 76.936 0.348 3.47 12 247.3 9.0
259 5 1 16 38.534 77.069 0.348 3.46 12 330.2 16.0
260 0 0 21 38.636 77.272 0.349 3.44 2 634.2 9.8
261 2 1 -20 38.653 77.307 0.349 3.44 12 244.0 8.7
262 8 0 8 38.683 77.365 0.349 3.44 6 364.1 9.6
263 5 5 0 38.732 77.464 0.35 3.43 6 659.7 31.6
264 7 2 -7 38.823 77.647 0.35 3.42 12 333.0 16.0
265 8 1 4 38.949 77.898 0.351 3.4 12 41.1 0.2
266 4 1 -18 38.999 77.998 0.352 3.39 12 241.9 8.4
267 4 1 18 38.999 77.998 0.352 3.39 12 165.2 3.9
268 6 4 -1 39.09 78.179 0.352 3.38 12 351.7 17.7
269 6 1 14 39.097 78.195 0.353 3.38 12 158.0 3.6
270 5 5 3 39.198 78.396 0.353 3.36 12 128.3 2.3
271 6 4 2 39.245 78.489 0.354 3.35 12 234.2 7.8
272 6 3 -9 39.257 78.514 0.354 3.35 12 145.2 3.0
273 6 3 9 39.257 78.514 0.354 3.35 12 227.6 7.4
274 4 2 17 39.326 78.653 0.354 3.34 12 223.8 7.1
275 5 2 -15 39.376 78.751 0.355 3.34 12 442.9 27.7
276 5 2 15 39.376 78.751 0.355 3.34 12 327.5 15.2
277 4 0 19 39.386 78.771 0.355 3.34 6 411.1 11.9
278 8 1 -5 39.414 78.829 0.355 3.33 12 450.9 28.7
279 5 3 -13 39.533 79.065 0.356 3.32 12 97.2 1.3
280 7 0 13 39.533 79.065 0.356 3.32 6 295.9 6.1
281 1 1 21 39.553 79.106 0.356 3.31 12 211.2 6.3
282 7 2 8 39.599 79.198 0.356 3.31 12 87.1 1.1
283 5 4 10 39.628 79.257 0.357 3.3 12 57.4 0.5
284 6 4 -4 39.864 79.727 0.358 3.27 12 231.3 7.4
285 7 3 1 40.003 80.007 0.359 3.25 12 280.7 10.8
286 7 3 -2 40.158 80.315 0.36 3.24 12 274.2 10.3
287 5 1 -17 40.239 80.478 0.361 3.23 12 193.8 5.1
288 3 2 19 40.298 80.595 0.362 3.22 12 159.9 3.5
289 6 4 5 40.326 80.653 0.362 3.21 12 190.6 4.9
290 4 3 16 40.363 80.727 0.362 3.21 12 285.5 11.1
291 6 2 13 40.444 80.888 0.363 3.2 12 136.9 2.5
292 3 1 20 40.481 80.962 0.363 3.2 12 327.4 14.5
293 8 0 -10 40.539 81.078 0.363 3.19 6 494.0 16.5
294 9 0 0 40.558 81.117 0.363 3.19 6 65.8 0.3
295 5 5 6 40.588 81.175 0.364 3.18 12 550.5 40.8
296 8 1 7 40.649 81.297 0.364 3.18 12 160.3 3.5
297 7 1 -12 40.676 81.351 0.364 3.17 12 157.6 3.3
298 7 1 12 40.676 81.351 0.364 3.17 12 138.2 2.6
299 5 4 -11 40.707 81.415 0.365 3.17 12 94.6 1.2
300 7 3 4 40.773 81.546 0.365 3.16 12 118.8 1.9
301 3 3 18 40.822 81.645 0.365 3.16 12 40.9 0.2
302 5 3 14 40.92 81.839 0.366 3.15 12 33.9 0.2
303 7 0 -14 40.92 81.839 0.366 3.15 6 215.4 3.1
304 9 0 -3 41.019 82.038 0.367 3.14 6 133.5 1.2
305 9 0 3 41.019 82.038 0.367 3.14 6 155.8 1.6
306 1 0 22 41.154 82.308 0.368 3.12 6 176.8 2.1
307 7 3 -5 41.233 82.467 0.368 3.11 12 306.9 12.4
308 3 0 -21 41.37 82.741 0.369 3.1 6 548.5 19.7
309 3 0 21 41.37 82.741 0.369 3.1 6 178.8 2.1
310 4 0 -20 41.387 82.774 0.37 3.1 6 618.3 25.1
311 8 1 -8 41.416 82.832 0.37 3.09 12 63.7 0.5
312 7 2 -10 41.445 82.89 0.37 3.09 12 249.4 8.1
313 8 2 0 41.464 82.929 0.37 3.09 12 359.0 16.9
314 6 4 -7 41.554 83.109 0.371 3.08 12 377.4 18.6
315 8 0 11 41.613 83.225 0.371 3.08 6 168.2 1.8
316 6 2 -14 41.824 83.648 0.373 3.05 12 262.4 8.9
317 8 2 -3 41.923 83.846 0.373 3.05 12 250.7 8.1
318 8 2 3 41.923 83.846 0.373 3.05 12 217.5 6.1
319 4 3 -17 42.05 84.1 0.374 3.03 12 163.9 3.4
320 2 0 -22 42.057 84.115 0.374 3.03 6 284.9 5.2
321 4 4 15 42.098 84.196 0.375 3.03 12 247.6 7.9
322 5 0 -19 42.108 84.216 0.375 3.03 6 463.2 13.7
323 6 1 -16 42.173 84.347 0.375 3.02 12 232.0 6.9
324 2 2 21 42.273 84.546 0.376 3.01 12 215.7 5.9
325 3 2 -20 42.29 84.58 0.376 3.01 12 138.0 2.4
326 6 4 8 42.318 84.637 0.376 3.01 12 266.4 9.0
327 9 0 -6 42.396 84.792 0.377 3.0 6 86.9 0.5
328 9 0 6 42.396 84.792 0.377 3.0 6 226.9 3.3
329 7 3 7 42.456 84.913 0.377 3.0 12 406.1 20.9
330 6 3 -12 42.483 84.966 0.378 3.0 12 152.6 3.0
331 6 3 12 42.483 84.966 0.378 3.0 12 118.2 1.8
332 7 2 11 42.515 85.029 0.378 2.99 12 55.6 0.4
333 5 5 9 42.882 85.765 0.38 2.96 12 119.0 1.8
334 2 1 22 42.958 85.916 0.381 2.96 12 66.5 0.6
335 4 2 -19 43.009 86.017 0.381 2.95 12 176.5 3.9
336 5 4 13 43.153 86.307 0.382 2.94 12 91.4 1.0
337 7 3 -8 43.218 86.437 0.383 2.94 12 100.6 1.3
338 8 1 10 43.247 86.495 0.383 2.94 12 192.7 4.6
339 8 2 -6 43.296 86.591 0.383 2.93 12 265.4 8.7
340 8 2 6 43.296 86.591 0.383 2.93 12 290.2 10.5
341 1 0 -23 43.444 86.888 0.384 2.92 6 174.9 1.9
342 6 0 -18 43.528 87.056 0.385 2.92 6 361.6 8.1
343 6 0 18 43.528 87.056 0.385 2.92 6 421.9 11.0
344 6 5 1 43.617 87.234 0.386 2.91 12 51.7 0.3
345 9 1 -1 43.617 87.234 0.386 2.91 12 232.1 6.6
346 6 5 -2 43.769 87.538 0.387 2.9 12 99.1 1.2
347 9 1 2 43.769 87.538 0.387 2.9 12 418.0 21.4
348 6 1 17 43.849 87.698 0.387 2.89 12 136.4 2.3
349 5 1 19 43.907 87.814 0.388 2.89 12 157.2 3.0
350 5 3 -16 43.972 87.944 0.388 2.89 12 70.4 0.6
351 7 0 16 43.972 87.944 0.388 2.89 6 181.0 2.0
352 8 0 -13 44.052 88.103 0.389 2.88 6 198.4 2.4
353 5 0 20 44.088 88.176 0.389 2.88 6 143.9 1.3
354 6 4 -10 44.146 88.291 0.389 2.88 12 99.2 1.2
355 7 4 0 44.165 88.329 0.389 2.87 12 60.8 0.5
356 8 1 -11 44.312 88.624 0.39 2.87 12 154.0 2.9
357 2 0 23 44.342 88.684 0.391 2.86 6 199.1 2.4
358 6 5 4 44.377 88.754 0.391 2.86 12 203.9 5.0
359 9 1 -4 44.377 88.754 0.391 2.86 12 164.5 3.3
360 5 2 -18 44.426 88.852 0.391 2.86 12 228.0 6.3
361 5 2 18 44.426 88.852 0.391 2.86 12 78.8 0.8
362 5 4 -14 44.522 89.044 0.392 2.85 12 296.4 10.6
363 7 4 -3 44.621 89.241 0.393 2.85 12 450.0 24.4
364 7 4 3 44.621 89.241 0.393 2.85 12 60.6 0.4
365 9 0 -9 44.679 89.357 0.393 2.84 6 516.5 16.1
366 9 0 9 44.679 89.357 0.393 2.84 6 282.1 4.8
367 3 1 -22 44.754 89.508 0.394 2.84 12 147.4 2.6
368 7 1 -15 44.795 89.589 0.394 2.84 12 74.1 0.7
369 7 1 15 44.795 89.589 0.394 2.84 12 112.8 1.5
370 6 5 -5 44.833 89.666 0.394 2.84 12 80.2 0.8
371 9 1 5 44.833 89.666 0.394 2.84 12 65.8 0.5
372 6 2 16 44.87 89.739 0.394 2.83 12 218.4 5.7
373 7 2 -13 44.949 89.898 0.395 2.83 12 177.1 3.8
374 4 1 -21 44.969 89.937 0.395 2.83 12 137.7 2.3
375 4 1 21 44.969 89.937 0.395 2.83 12 230.4 6.4
376 4 2 20 44.986 89.971 0.395 2.83 12 135.5 2.2
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 0 1 4.481 8.962 11.44901 574.9 100.0 100.0 5.6
2 0 0 3 5.117 10.235 10.028 383.4 66.7 66.6 5.6
3 1 0 2 5.369 10.738 9.55913 258.0 44.9 44.8 5.6
4 1 1 0 7.189 14.377 7.14795 40.7 7.1 7.1 5.6
5 1 0 4 7.999 15.998 6.42789 146.1 25.4 25.3 5.6
6 2 0 1 8.483 16.967 6.06328 21.4 3.7 3.7 5.6
7 1 1 3 8.84 17.679 5.82062 8.4 1.5 1.4 5.6
8 2 0 2 8.989 17.979 5.7245 39.9 6.9 6.9 5.6
9 1 0 5 9.514 19.028 5.41158 22.8 4.0 3.9 5.6
10 0 0 6 10.276 20.552 5.014 67.1 11.7 11.6 5.6
11 2 0 4 10.786 21.572 4.77956 88.8 15.4 15.3 5.6
12 2 1 2 11.548 23.095 4.46821 47.0 8.2 8.1 5.6
13 2 0 5 11.965 23.93 4.31456 34.5 6.0 5.9 5.6
14 3 0 0 12.518 25.035 4.12687 35.1 6.1 6.0 5.6
15 1 1 6 12.586 25.172 4.10481 27.4 4.8 4.7 5.6
16 2 1 4 13.01 26.02 3.97317 126.1 21.9 21.7 5.6
17 3 0 3 13.555 27.11 3.81634 65.7 11.4 11.3 5.6
18 2 1 5 14.014 28.027 3.69381 74.8 13.0 12.8 5.6
19 1 0 8 14.394 28.788 3.59818 23.9 4.2 4.1 5.6
20 2 2 0 14.494 28.987 3.57397 47.7 8.3 8.2 5.6
21 2 0 7 14.677 29.354 3.53031 46.3 8.0 7.9 5.6
22 3 1 1 15.2 30.399 3.41161 478.0 83.1 81.9 5.6
23 2 2 3 15.408 30.816 3.36655 34.2 5.9 5.9 5.6
24 3 1 2 15.497 30.994 3.34765 45.6 7.9 7.8 5.6
25 2 0 8 16.159 32.318 3.21394 161.1 28.0 27.6 5.6
26 3 0 6 16.303 32.606 3.18638 94.3 16.4 16.1 5.6
27 2 1 7 16.414 32.829 3.1653 371.6 64.6 63.6 5.6
28 3 1 4 16.64 33.28 3.12361 34.5 6.0 5.9 5.6
29 4 0 1 16.889 33.777 3.0789 49.3 8.6 8.4 5.7
30 1 1 9 17.182 34.363 3.02794 225.7 39.3 38.5 5.7
31 3 1 5 17.453 34.906 2.98228 545.5 94.9 93.1 5.7
32 2 1 8 17.767 35.534 2.93127 21.1 3.7 3.6 5.7
33 1 0 10 17.817 35.633 2.92333 15.1 2.6 2.6 5.7
34 2 2 6 17.899 35.798 2.91031 69.3 12.1 11.8 5.7
35 4 0 4 18.21 36.42 2.86225 326.0 56.7 55.6 5.7
36 3 2 1 18.44 36.881 2.82773 28.9 5.0 4.9 5.7
37 3 2 2 18.692 37.384 2.79099 32.5 5.7 5.5 5.7
38 4 0 5 18.965 37.929 2.75233 73.2 12.7 12.5 5.7
39 2 0 10 19.304 38.607 2.70579 28.4 4.9 4.8 5.7
40 4 1 0 19.334 38.668 2.70167 19.6 3.4 3.3 5.7
41 3 1 7 19.477 38.953 2.68266 21.5 3.7 3.7 5.7
42 1 0 11 19.569 39.137 2.67053 9.3 1.6 1.6 5.7
43 3 2 4 19.671 39.343 2.65714 69.7 12.1 11.9 5.7
44 4 1 3 20.053 40.105 2.60866 20.8 3.6 3.5 5.7
45 3 0 9 20.142 40.285 2.5975 184.1 32.0 31.3 5.7
46 3 2 5 20.38 40.76 2.5685 21.8 3.8 3.7 5.7
47 3 1 8 20.655 41.311 2.5357 84.6 14.7 14.4 5.7
48 2 1 10 20.699 41.399 2.53055 40.3 7.0 6.8 5.7
49 4 0 7 20.863 41.726 2.5116 15.5 2.7 2.6 5.7
50 0 0 12 20.903 41.806 2.507 8.9 1.6 1.5 5.7
51 2 0 11 20.95 41.9 2.50164 28.3 4.9 4.8 5.7
52 5 0 1 21.251 42.502 2.46778 24.8 4.3 4.2 5.7
53 5 0 2 21.475 42.95 2.44324 17.1 3.0 2.9 5.7
54 4 0 8 21.98 43.96 2.38978 6.9 1.2 1.2 5.7
55 3 3 0 22.049 44.099 2.38265 81.2 14.1 13.7 5.7
56 4 1 6 22.091 44.182 2.37838 90.6 15.8 15.3 5.7
57 3 2 7 22.177 44.355 2.36958 28.7 5.0 4.9 5.7
58 2 1 11 22.26 44.521 2.36121 10.0 1.7 1.7 5.7
59 4 2 1 22.547 45.095 2.33267 30.1 5.2 5.1 5.7
60 3 3 3 22.697 45.394 2.31812 12.8 2.2 2.2 5.7
61 4 2 2 22.761 45.522 2.31192 8.6 1.5 1.5 5.7
62 5 0 5 22.994 45.987 2.2898 11.1 1.9 1.9 5.7
63 3 2 8 23.244 46.488 2.26647 11.7 2.0 2.0 5.7
64 4 2 4 23.601 47.202 2.23411 16.5 2.9 2.8 5.7
65 5 1 1 23.788 47.576 2.21757 41.9 7.3 7.1 5.7
66 5 1 2 23.993 47.986 2.19972 41.9 7.3 7.1 5.7
67 4 2 5 24.216 48.432 2.18064 7.0 1.2 1.2 5.7
68 2 0 13 24.371 48.742 2.16764 19.4 3.4 3.3 5.7
69 4 0 10 24.496 48.991 2.15728 29.3 5.1 4.9 5.7
70 5 0 7 24.639 49.278 2.1455 35.9 6.2 6.0 5.7
71 3 0 12 24.674 49.349 2.14263 21.1 3.7 3.5 5.7
72 3 1 11 24.716 49.431 2.13928 52.4 9.1 8.8 5.7
73 5 1 4 24.801 49.602 2.13238 60.3 10.5 10.1 5.7
74 1 0 14 24.991 49.982 2.1172 67.1 11.7 11.3 5.7
75 4 1 9 25.195 50.389 2.10118 18.9 3.3 3.2 5.8
76 5 1 5 25.394 50.789 2.08574 12.6 2.2 2.1 5.8
77 2 1 13 25.544 51.087 2.07435 6.8 1.2 1.1 5.8
78 3 2 10 25.664 51.328 2.06527 62.3 10.8 10.5 5.8
79 4 2 7 25.803 51.606 2.05493 91.1 15.8 15.3 5.8
80 2 0 14 26.143 52.286 2.03003 19.4 3.4 3.3 5.8
81 6 0 3 26.268 52.535 2.02109 28.1 4.9 4.7 5.8
82 4 3 2 26.325 52.65 2.01698 20.0 3.5 3.4 5.8
83 0 0 15 26.486 52.972 2.0056 6.8 1.2 1.1 5.8
84 4 2 8 26.76 53.519 1.98659 74.5 13.0 12.5 5.8
85 5 2 0 26.82 53.639 1.98248 21.0 3.7 3.5 5.8
86 5 1 7 26.93 53.861 1.97494 30.3 5.3 5.1 5.8
87 4 3 4 27.082 54.164 1.96469 19.6 3.4 3.3 5.8
88 2 1 14 27.261 54.521 1.9528 14.2 2.5 2.4 5.8
89 5 2 3 27.382 54.763 1.94484 15.9 2.8 2.7 5.8
90 3 3 9 27.452 54.905 1.94021 104.4 18.2 17.4 5.8
91 3 1 13 27.782 55.563 1.91903 30.4 5.3 5.1 5.8
92 5 1 8 27.86 55.72 1.91404 11.8 2.0 2.0 5.8
93 5 0 10 27.895 55.791 1.91183 7.2 1.3 1.2 5.8
94 6 0 6 27.953 55.907 1.90817 59.3 10.3 9.9 5.8
95 6 1 1 28.339 56.678 1.88432 26.6 4.6 4.4 5.8
96 6 1 2 28.52 57.041 1.87333 10.1 1.8 1.7 5.8
97 1 0 16 28.762 57.523 1.85893 16.1 2.8 2.7 5.8
98 4 2 10 28.967 57.934 1.8469 13.5 2.3 2.2 5.8
99 5 2 6 29.024 58.047 1.84361 42.5 7.4 7.1 5.8
100 4 3 7 29.095 58.189 1.8395 22.5 3.9 3.7 5.8
101 4 1 12 29.126 58.252 1.83769 40.6 7.1 6.8 5.8
102 6 1 4 29.239 58.478 1.83121 14.2 2.5 2.4 5.8
103 3 0 15 29.726 59.453 1.80386 33.5 5.8 5.6 5.8
104 6 1 5 29.771 59.541 1.80142 21.6 3.8 3.6 5.8
105 2 0 16 29.813 59.626 1.79909 6.1 1.1 1.0 5.8
106 3 2 13 29.905 59.81 1.79407 22.9 4.0 3.8 5.8
107 4 4 0 30.036 60.072 1.78699 158.6 27.6 26.3 5.8
108 4 0 14 30.446 60.893 1.76515 65.6 11.4 10.9 5.8
109 4 4 3 30.559 61.118 1.75927 19.5 3.4 3.2 5.8
110 6 0 9 30.625 61.251 1.75584 17.6 3.1 2.9 5.8
111 2 2 15 30.757 61.515 1.74903 6.9 1.2 1.1 5.8
112 6 1 7 31.162 62.323 1.72858 5.8 1.0 1.0 5.8
113 3 3 12 31.192 62.384 1.72708 22.6 3.9 3.7 5.8
114 7 0 4 31.3 62.601 1.72169 38.8 6.8 6.4 5.8
115 3 2 14 31.463 62.927 1.71368 12.8 2.2 2.1 5.9
116 6 2 2 31.625 63.251 1.70581 29.5 5.1 4.9 5.9
117 7 0 5 31.811 63.623 1.69687 32.9 5.7 5.4 5.9
118 4 3 10 32.045 64.091 1.68579 17.8 3.1 2.9 5.9
119 4 4 6 32.099 64.198 1.68328 41.5 7.2 6.8 5.9
120 2 1 17 32.71 65.419 1.65524 7.1 1.2 1.2 5.9
121 6 2 5 32.805 65.609 1.65098 9.3 1.6 1.5 5.9
122 3 1 16 32.845 65.689 1.64919 31.3 5.4 5.1 5.9
123 4 2 13 32.932 65.864 1.64532 11.8 2.0 1.9 5.9
124 4 3 11 33.216 66.433 1.63281 14.2 2.5 2.3 5.9
125 1 1 18 33.34 66.681 1.62744 27.1 4.7 4.4 5.9
126 7 1 3 33.552 67.104 1.61836 12.6 2.2 2.1 5.9
127 4 1 15 33.741 67.482 1.61037 7.4 1.3 1.2 5.9
128 4 0 16 33.822 67.644 1.60697 73.6 12.8 12.1 5.9
129 5 1 13 33.908 67.815 1.60339 6.4 1.1 1.0 5.9
130 7 0 8 33.978 67.955 1.60048 29.2 5.1 4.8 5.9
131 6 1 10 34.009 68.018 1.59918 45.3 7.9 7.4 5.9
132 6 2 7 34.126 68.252 1.59437 15.2 2.6 2.5 5.9
133 4 2 14 34.414 68.828 1.58265 26.1 4.5 4.3 5.9
134 5 4 2 34.568 69.137 1.57645 22.3 3.9 3.6 5.9
135 3 2 16 34.785 69.571 1.56784 29.6 5.1 4.8 5.9
136 6 3 0 34.991 69.981 1.55981 15.1 2.6 2.5 5.9
137 7 1 6 35.021 70.043 1.55861 16.4 2.8 2.7 5.9
138 5 2 12 35.114 70.228 1.55503 31.9 5.5 5.2 5.9
139 5 4 4 35.216 70.432 1.5511 20.4 3.5 3.3 5.9
140 3 0 18 35.268 70.536 1.54912 12.4 2.2 2.0 5.9
141 5 1 14 35.37 70.74 1.54523 49.8 8.7 8.1 5.9
142 6 3 3 35.474 70.949 1.54128 8.8 1.5 1.4 5.9
143 8 0 2 35.523 71.045 1.53945 14.7 2.6 2.4 5.9
144 4 0 17 35.607 71.215 1.53627 12.4 2.2 2.0 5.9
145 3 3 15 35.658 71.316 1.53437 12.0 2.1 1.9 5.9
146 5 4 5 35.699 71.397 1.53287 6.5 1.1 1.1 5.9
147 4 3 13 35.821 71.642 1.52833 19.2 3.3 3.1 5.9
148 5 3 10 35.92 71.84 1.52469 6.5 1.1 1.1 5.9
149 7 2 1 36.307 72.614 1.51062 14.5 2.5 2.4 6.0
150 7 2 2 36.466 72.932 1.50494 6.8 1.2 1.1 6.0
151 5 0 16 36.678 73.357 1.49745 7.4 1.3 1.2 6.0
152 6 3 6 36.909 73.818 1.4894 10.0 1.7 1.6 6.0
153 5 4 7 36.972 73.944 1.48724 27.5 4.8 4.4 6.0
154 5 3 11 37.032 74.065 1.48516 60.2 10.5 9.7 6.0
155 7 2 4 37.1 74.2 1.48284 15.3 2.7 2.5 6.0
156 4 3 14 37.25 74.501 1.47771 40.6 7.1 6.6 6.0
157 7 1 9 37.413 74.826 1.47223 9.4 1.6 1.5 6.0
158 7 2 5 37.573 75.145 1.46689 10.3 1.8 1.7 6.0
159 4 2 16 37.61 75.221 1.46563 9.4 1.6 1.5 6.0
160 5 4 8 37.76 75.519 1.4607 6.6 1.1 1.1 6.0
161 8 1 1 38.17 76.339 1.44736 11.7 2.0 1.9 6.0
162 5 0 17 38.408 76.817 1.43975 5.8 1.0 0.9 6.0
163 3 1 19 38.468 76.936 1.43786 20.6 3.6 3.3 6.0
164 5 1 16 38.534 77.069 1.43576 16.0 2.8 2.6 6.0
165 0 0 21 38.636 77.272 1.43257 18.4 3.2 3.0 6.0
166 8 0 8 38.683 77.365 1.43113 9.6 1.7 1.6 6.0
167 5 5 0 38.732 77.464 1.42959 31.6 5.5 5.1 6.0
168 7 2 7 38.823 77.647 1.42675 16.0 2.8 2.6 6.0
169 4 1 18 38.999 77.998 1.42134 12.3 2.1 2.0 6.0
170 6 4 1 39.09 78.179 1.41857 21.2 3.7 3.4 6.0
171 6 4 2 39.245 78.489 1.41387 18.1 3.2 2.9 6.0
172 4 2 17 39.326 78.653 1.4114 7.1 1.2 1.1 6.0
173 5 2 15 39.376 78.751 1.40993 54.8 9.5 8.8 6.0
174 8 1 5 39.414 78.829 1.40876 28.7 5.0 4.6 6.0
175 1 1 21 39.553 79.106 1.40464 13.7 2.4 2.2 6.0
176 6 4 4 39.864 79.727 1.39549 7.4 1.3 1.2 6.0
177 7 3 1 40.003 80.007 1.39144 10.8 1.9 1.7 6.0
178 7 3 2 40.158 80.315 1.38699 10.3 1.8 1.6 6.0
179 6 4 5 40.326 80.653 1.38217 8.4 1.5 1.3 6.1
180 4 3 16 40.363 80.727 1.38112 11.1 1.9 1.8 6.1
181 3 1 20 40.481 80.962 1.3778 14.5 2.5 2.3 6.1
182 8 0 10 40.539 81.078 1.37617 16.8 2.9 2.7 6.1
183 5 5 6 40.588 81.175 1.3748 40.8 7.1 6.5 6.1
184 8 1 7 40.649 81.297 1.37309 9.4 1.6 1.5 6.1
185 7 3 5 41.233 82.467 1.35704 12.4 2.2 2.0 6.1
186 4 0 20 41.387 82.774 1.3529 46.9 8.2 7.4 6.1
187 8 2 0 41.464 82.929 1.35084 25.0 4.3 4.0 6.1
188 6 4 7 41.554 83.109 1.34844 18.6 3.2 2.9 6.1
189 6 2 14 41.824 83.648 1.34133 8.9 1.5 1.4 6.1
190 8 2 3 41.923 83.846 1.33874 14.2 2.5 2.2 6.1
191 2 0 22 42.057 84.115 1.33526 8.7 1.5 1.4 6.1
192 5 0 19 42.108 84.216 1.33396 21.6 3.8 3.4 6.1
193 6 1 16 42.173 84.347 1.33228 6.9 1.2 1.1 6.1
194 2 2 21 42.273 84.546 1.32973 8.4 1.5 1.3 6.1
195 6 4 8 42.318 84.637 1.32857 9.0 1.6 1.4 6.1
196 7 3 7 42.456 84.913 1.32507 25.6 4.5 4.1 6.1
197 8 1 10 43.247 86.495 1.30549 5.9 1.0 0.9 6.1
198 8 2 6 43.296 86.591 1.30433 19.2 3.3 3.0 6.1
199 6 0 18 43.528 87.056 1.29875 19.1 3.3 3.0 6.1
200 9 1 1 43.617 87.234 1.29663 6.6 1.2 1.0 6.2
201 9 1 2 43.769 87.538 1.29304 22.6 3.9 3.6 6.2
202 6 5 4 44.377 88.754 1.27894 8.3 1.4 1.3 6.2
203 5 2 18 44.426 88.852 1.27783 7.0 1.2 1.1 6.2
204 5 4 14 44.522 89.044 1.27564 10.6 1.8 1.7 6.2
205 7 4 3 44.621 89.241 1.27342 24.8 4.3 3.9 6.2
206 9 0 9 44.679 89.357 1.27211 20.9 3.6 3.3 6.2
207 4 1 21 44.969 89.937 1.26565 14.6 2.5 2.3 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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