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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DAVINCIITE
1, DF
Na(12)(K,Sr)(3)Ca(6)Fe''(3)Zr(3)Si(26)O(73)(OH)Cl(2)
Hexagonal R 3m Z = 3
R3m
10 .8 .17
Ref.Str.:
Rastsvetaeva R.K., Rozenberg K.A., Khomyakov A.P. (2009)
* Doklady Chemistry, 424, 11-14
L: $Zr2.79 Hf0.03 Ti0.15 Nb0.03 Ca6 Si26 O74.389 Fe2+2.25 Mn0.15 Na12.945
K2.295 Sr0.3 Ba0.03 Cl1.62 H1.662$
R: Locality - Khibiny massif, Kola Peninsula, Russia.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.2956 alpha = 90.0
b = 14.2956 beta = 90.0
c = 30.0228 gamma = 120.0
Unit cell volume (cub. angs.) = 5313.57
Molar volume ( cub.cm/mol.) = 1066.85
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3328 0.1664 0.1668 0.0 Zr = 0.93, Ti = 0.05, Hf = 0.01, Nb = 0.01
2 0.9999 0.26 0.9998 0.0 Ca = 1.00
3 0.5273 0.2636 0.251 0.0 Si = 1.00
4 0.9946 0.6028 0.0976 0.0 Si = 1.00
5 0.2093 0.4186 0.0751 0.0 Si = 1.00
6 0.0856 0.5428 0.2578 0.0 Si = 1.00
7 0.0582 0.329 0.2364 0.0 Si = 1.00
8 0.1414 0.0707 0.0832 0.0 Si = 1.00
9 0.4747 0.2373 0.2005 0.0 O = 1.00
10 0.2625 0.0284 0.2063 0.0 O = 1.00
11 0.4019 0.2971 0.1243 0.0 O = 1.00
12 0.6055 0.3945 0.254 0.0 O = 1.00
13 0.4428 0.2214 0.2879 0.0 O = 1.00
14 0.4121 0.0287 0.0445 0.0 O = 1.00
15 0.107 0.3913 0.1064 0.0 O = 1.00
16 0.0109 0.5055 0.1173 0.0 O = 1.00
17 0.2737 0.5475 0.0621 0.0 O = 1.00
18 0.177 0.354 0.029 0.0 O = 1.00
19 0.0298 0.5149 0.3038 0.0 O = 1.00
20 0.1766 0.3532 0.2179 0.0 O = 1.00
21 0.0449 0.3005 0.2886 0.0 O = 1.00
22 0.3873 0.4361 0.2239 0.0 O = 1.00
23 0.3931 0.6069 0.2545 0.0 O = 1.00
24 0.0615 0.1231 0.0771 0.0 O = 1.00
25 0.1821 0.091 0.1328 0.0 O = 1.00
26 0.2336 0.1168 0.0439 0.0 O = 1.00
27 0.4987 0.5012 0.0003 0.0 Fe = 0.75, Mn = 0.05, Na = 0.19
28 0.3333 0.6667 0.2473 0.0 Si = 1.00
29 0.3333 0.6667 0.0485 0.0 Si = 1.00
30 0.1083 0.2165 0.1542 0.0 Na = 1.00
31 0.5812 0.4188 0.165 0.0 Na = 1.00
32 0.2404 0.4808 0.9536 0.0 K = 0.53, K = 0.0
33 0.2328 0.1164 0.2769 0.0 Na = 0.23, K = 0.23
34 0.4614 0.2307 0.0499 0.0 Na = 0.89, Sr = 0.04
35 0.4932 0.2466 0.0445 0.0 Sr = 0.06, Ba = 0.01
36 0.2548 0.5096 0.1743 0.0 Na = 0.58, Na = 0.0
37 0.4193 0.5807 0.1638 0.0 Na = 0.42, Na = 0.0
38 0.0 0.0 0.2424 0.0 Cl = 0.54, Cl = 0.0
39 0.6667 0.3333 0.1026 0.0 Cl = 0.7 , Cl = 0.0
40 0.0 0.0 0.2194 0.0 H(2)O = 0.23, Cl = 0.23
41 0.6667 0.3333 0.049 0.0 H(2)O = 0.15, Cl = 0.15
42 0.41 0.59 0.004 0.0 O = 0.0 , O = 0.0
43 0.582 0.418 0.998 0.0 O = 0.0 , O = 0.0
44 0.3333 0.6667 0.14 0.0 OH = 0.26, O = 0.31
45 0.3333 0.6667 0.1967 0.0 OH = 0.22, O = 0.28
46 0.3333 0.6667 0.995 0.0 OH = 0.18, O = 0.23
47 0.3333 0.6667 0.33 0.0 OH = 0.22, O = 0.28
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3328 0.1664 0.1668
2 2 0.9999 0.26 0.9998
3 3 0.5273 0.2636 0.251
4 4 0.9946 0.6028 0.0976
5 5 0.2093 0.4186 0.0751
6 6 0.0856 0.5428 0.2578
7 7 0.0582 0.329 0.2364
8 8 0.1414 0.0707 0.0832
9 9 0.4747 0.2373 0.2005
10 10 0.2625 0.0284 0.2063
11 11 0.4019 0.2971 0.1243
12 12 0.6055 0.3945 0.254
13 13 0.4428 0.2214 0.2879
14 14 0.4121 0.0287 0.0445
15 15 0.107 0.3913 0.1064
16 16 0.0109 0.5055 0.1173
17 17 0.2737 0.5475 0.0621
18 18 0.177 0.354 0.029
19 19 0.0298 0.5149 0.3038
20 20 0.1766 0.3532 0.2179
21 21 0.0449 0.3005 0.2886
22 22 0.3873 0.4361 0.2239
23 23 0.3931 0.6069 0.2545
24 24 0.0615 0.1231 0.0771
25 25 0.1821 0.091 0.1328
26 26 0.2336 0.1168 0.0439
27 27 0.4987 0.5012 0.0003
28 28 0.3333 0.6667 0.2473
29 29 0.3333 0.6667 0.0485
30 30 0.1083 0.2165 0.1542
31 31 0.5812 0.4188 0.165
32 32 0.2404 0.4808 0.9536
33 33 0.2328 0.1164 0.2769
34 34 0.4614 0.2307 0.0499
35 35 0.4932 0.2466 0.0445
36 36 0.2548 0.5096 0.1743
37 37 0.4193 0.5807 0.1638
38 38 0.0 0.0 0.2424
39 39 0.6667 0.3333 0.1026
40 40 0.0 0.0 0.2194
41 41 0.6667 0.3333 0.049
42 42 0.41 0.59 0.004
43 43 0.582 0.418 0.998
44 44 0.3333 0.6667 0.14
45 45 0.3333 0.6667 0.1967
46 46 0.3333 0.6667 0.995
47 47 0.3333 0.6667 0.33
48 1 0.8336 0.1664 0.1668
49 1 0.8336 0.6672 0.1668
50 2 0.74 0.7399 0.9998
51 2 0.2601 0.0001 0.9998
52 3 0.7364 0.2637 0.251
53 3 0.7363 0.4727 0.251
54 4 0.3972 0.3918 0.0976
55 4 0.6082 0.0054 0.0976
56 5 0.5814 0.7907 0.0751
57 5 0.2093 0.7907 0.0751
58 6 0.4572 0.5428 0.2578
59 6 0.4572 0.9144 0.2578
60 7 0.671 0.7292 0.2364
61 7 0.2708 0.9418 0.2364
62 8 0.9293 0.0707 0.0832
63 8 0.9293 0.8586 0.0832
64 9 0.7627 0.2374 0.2005
65 9 0.7626 0.5253 0.2005
66 10 0.9716 0.2341 0.2063
67 10 0.7659 0.7375 0.2063
68 11 0.7029 0.1048 0.1243
69 11 0.8952 0.5981 0.1243
70 12 0.6055 0.211 0.254
71 12 0.789 0.3945 0.254
72 13 0.7786 0.2214 0.2879
73 13 0.7786 0.5572 0.2879
74 14 0.9713 0.3834 0.0445
75 14 0.6166 0.5879 0.0445
76 15 0.6087 0.7157 0.1064
77 15 0.2843 0.893 0.1064
78 16 0.4945 0.5054 0.1173
79 16 0.4946 0.9891 0.1173
80 17 0.4525 0.7262 0.0621
81 17 0.2738 0.7263 0.0621
82 18 0.646 0.823 0.029
83 18 0.177 0.823 0.029
84 19 0.4851 0.5149 0.3038
85 19 0.4851 0.9702 0.3038
86 20 0.6468 0.8234 0.2179
87 20 0.1766 0.8234 0.2179
88 21 0.6995 0.7444 0.2886
89 21 0.2556 0.9551 0.2886
90 22 0.5639 0.9512 0.2239
91 22 0.0488 0.6127 0.2239
92 23 0.3931 0.7862 0.2545
93 23 0.2138 0.6069 0.2545
94 24 0.8769 0.9384 0.0771
95 24 0.0616 0.9385 0.0771
96 25 0.909 0.0911 0.1328
97 25 0.9089 0.8179 0.1328
98 26 0.8832 0.1168 0.0439
99 26 0.8832 0.7664 0.0439
100 27 0.4988 0.9975 0.0003
101 27 0.0025 0.5013 0.0003
102 30 0.7835 0.8918 0.1542
103 30 0.1082 0.8917 0.1542
104 31 0.5812 0.1624 0.165
105 31 0.8376 0.4188 0.165
106 32 0.5192 0.7596 0.9536
107 32 0.2404 0.7596 0.9536
108 33 0.8836 0.1164 0.2769
109 33 0.8836 0.7672 0.2769
110 34 0.7693 0.2307 0.0499
111 34 0.7693 0.5386 0.0499
112 35 0.7534 0.2466 0.0445
113 35 0.7534 0.5068 0.0445
114 36 0.4904 0.7452 0.1743
115 36 0.2548 0.7452 0.1743
116 37 0.4193 0.8386 0.1638
117 37 0.1614 0.5807 0.1638
118 42 0.41 0.82 0.004
119 42 0.18 0.59 0.004
120 43 0.582 0.164 0.998
121 43 0.836 0.418 0.998
122 1 0.5003 0.4997 0.5001
123 1 0.1669 0.3339 0.8335
124 2 0.4067 0.0732 0.3331
125 2 0.5934 0.6668 0.6665
126 3 0.4031 0.597 0.5843
127 3 0.0696 0.1394 0.9177
128 4 0.0639 0.7251 0.4309
129 4 0.9415 0.6721 0.7643
130 5 0.2481 0.124 0.4084
131 5 0.5426 0.4574 0.7418
132 6 0.1239 0.8761 0.5911
133 6 0.7905 0.5811 0.9245
134 7 0.3377 0.0625 0.5697
135 7 0.6041 0.6085 0.9031
136 8 0.596 0.404 0.4165
137 8 0.2626 0.5253 0.7499
138 9 0.4294 0.5707 0.5338
139 9 0.0959 0.192 0.8672
140 10 0.6383 0.5674 0.5396
141 10 0.0992 0.4042 0.873
142 11 0.3696 0.4381 0.4576
143 11 0.2285 0.2648 0.791
144 12 0.2722 0.5443 0.5873
145 12 0.1223 0.0612 0.9207
146 13 0.4453 0.5547 0.6212
147 13 0.1119 0.2239 0.9546
148 14 0.638 0.7167 0.3778
149 14 0.9499 0.2546 0.7112
150 15 0.2754 0.049 0.4397
151 15 0.6176 0.5597 0.7731
152 16 0.1612 0.8387 0.4506
153 16 0.8279 0.6558 0.784
154 17 0.1192 0.0595 0.3954
155 17 0.6071 0.393 0.7288
156 18 0.3127 0.1563 0.3623
157 18 0.5103 0.4897 0.6957
158 19 0.1518 0.8482 0.6371
159 19 0.8184 0.6369 0.9705
160 20 0.3135 0.1567 0.5512
161 20 0.5099 0.4901 0.8846
162 21 0.3662 0.0777 0.6219
163 21 0.5889 0.6218 0.9553
164 22 0.2306 0.2845 0.5572
165 22 0.3821 0.2794 0.8906
166 23 0.0598 0.1195 0.5878
167 23 0.5471 0.2736 0.9212
168 24 0.5436 0.2717 0.4104
169 24 0.3949 0.6052 0.7438
170 25 0.5757 0.4244 0.4661
171 25 0.2422 0.4846 0.7995
172 26 0.5499 0.4501 0.3772
173 26 0.2165 0.4331 0.7106
174 27 0.1655 0.3308 0.3336
175 27 0.3358 0.168 0.667
176 28 0.0 0.0 0.5806
177 28 0.6667 0.3333 0.914
178 29 0.0 0.0 0.3818
179 29 0.6667 0.3333 0.7152
180 30 0.4502 0.2251 0.4875
181 30 0.4415 0.5584 0.8209
182 31 0.2479 0.4957 0.4983
183 31 0.1709 0.0855 0.8317
184 32 0.1859 0.0929 0.2869
185 32 0.5737 0.4263 0.6203
186 33 0.5503 0.4497 0.6102
187 33 0.2169 0.4339 0.9436
188 34 0.436 0.564 0.3832
189 34 0.1026 0.2053 0.7166
190 35 0.4201 0.5799 0.3778
191 35 0.0867 0.1735 0.7112
192 36 0.1571 0.0785 0.5076
193 36 0.5881 0.4119 0.841
194 37 0.086 0.1719 0.4971
195 37 0.4947 0.2474 0.8305
196 38 0.6667 0.3333 0.5757
197 38 0.3333 0.6667 0.9091
198 39 0.3333 0.6667 0.4359
199 39 0.0 0.0 0.7693
200 40 0.6667 0.3333 0.5527
201 40 0.3333 0.6667 0.8861
202 41 0.3333 0.6667 0.3823
203 41 0.0 0.0 0.7157
204 42 0.0767 0.1533 0.3373
205 42 0.5133 0.2567 0.6707
206 43 0.2487 0.4973 0.3313
207 43 0.1693 0.0847 0.6647
208 44 0.0 0.0 0.4733
209 44 0.6667 0.3333 0.8067
210 45 0.0 0.0 0.53
211 45 0.6667 0.3333 0.8634
212 46 0.0 0.0 0.3283
213 46 0.6667 0.3333 0.6617
214 47 0.0 0.0 0.6633
215 47 0.6667 0.3333 0.9967
216 1 0.5003 0.0005 0.5001
217 1 0.6661 0.8331 0.8335
218 1 0.9995 0.4997 0.5001
219 1 0.1669 0.8331 0.8335
220 2 0.9268 0.3334 0.3331
221 2 0.3332 0.9267 0.6665
222 2 0.6666 0.5933 0.3331
223 2 0.0733 0.4065 0.6665
224 3 0.403 0.806 0.5843
225 3 0.8606 0.9303 0.9177
226 3 0.194 0.5969 0.5843
227 3 0.0697 0.9304 0.9177
228 4 0.2749 0.3387 0.4309
229 4 0.3279 0.2695 0.7643
230 4 0.6613 0.9361 0.4309
231 4 0.7305 0.0584 0.7643
232 5 0.876 0.124 0.4084
233 5 0.5426 0.0853 0.7418
234 5 0.876 0.7519 0.4084
235 5 0.9147 0.4573 0.7418
236 6 0.1239 0.2477 0.5911
237 6 0.4189 0.2095 0.9245
238 6 0.7523 0.8761 0.5911
239 6 0.7905 0.2094 0.9245
240 7 0.9375 0.2751 0.5697
241 7 0.3915 0.9957 0.9031
242 7 0.7249 0.6623 0.5697
243 7 0.0043 0.3958 0.9031
244 8 0.596 0.1919 0.4165
245 8 0.4747 0.7374 0.7499
246 8 0.8081 0.404 0.4165
247 8 0.2626 0.7373 0.7499
248 9 0.4293 0.8586 0.5338
249 9 0.808 0.904 0.8672
250 9 0.1414 0.5706 0.5338
251 9 0.096 0.904 0.8672
252 10 0.4326 0.0708 0.5396
253 10 0.5958 0.6951 0.873
254 10 0.9292 0.3617 0.5396
255 10 0.3049 0.9007 0.873
256 11 0.5619 0.9314 0.4576
257 11 0.7352 0.9638 0.791
258 11 0.0686 0.6304 0.4576
259 11 0.0362 0.7715 0.791
260 12 0.4557 0.7278 0.5873
261 12 0.9388 0.0612 0.9207
262 12 0.2722 0.7278 0.5873
263 12 0.9388 0.8776 0.9207
264 13 0.4453 0.8905 0.6212
265 13 0.7761 0.8881 0.9546
266 13 0.1095 0.5547 0.6212
267 13 0.1119 0.888 0.9546
268 14 0.2833 0.9212 0.3778
269 14 0.7454 0.6954 0.7112
270 14 0.0788 0.362 0.3778
271 14 0.3046 0.05 0.7112
272 15 0.951 0.2263 0.4397
273 15 0.4403 0.058 0.7731
274 15 0.7737 0.7246 0.4397
275 15 0.942 0.3823 0.7731
276 16 0.1613 0.3224 0.4506
277 16 0.3442 0.1722 0.784
278 16 0.6776 0.8388 0.4506
279 16 0.8278 0.172 0.784
280 17 0.9405 0.0596 0.3954
281 17 0.607 0.2142 0.7288
282 17 0.9404 0.8808 0.3954
283 17 0.7858 0.3928 0.7288
284 18 0.8437 0.1563 0.3623
285 18 0.5103 0.0207 0.6957
286 18 0.8437 0.6873 0.3623
287 18 0.9793 0.4896 0.6957
288 19 0.1518 0.3035 0.6371
289 19 0.3631 0.1816 0.9705
290 19 0.6965 0.8482 0.6371
291 19 0.8184 0.1815 0.9705
292 20 0.8433 0.1567 0.5512
293 20 0.5099 0.0199 0.8846
294 20 0.8433 0.6865 0.5512
295 20 0.9801 0.4901 0.8846
296 21 0.9223 0.2884 0.6219
297 21 0.3782 0.9672 0.9553
298 21 0.7116 0.6338 0.6219
299 21 0.0328 0.4111 0.9553
300 22 0.7155 0.946 0.5572
301 22 0.7206 0.1028 0.8906
302 22 0.054 0.7694 0.5572
303 22 0.8972 0.6179 0.8906
304 23 0.8805 0.9402 0.5878
305 23 0.7264 0.2736 0.9212
306 23 0.0598 0.9402 0.5878
307 23 0.7264 0.4529 0.9212
308 24 0.7283 0.2718 0.4104
309 24 0.3948 0.7898 0.7438
310 24 0.7282 0.4564 0.4104
311 24 0.2102 0.6051 0.7438
312 25 0.5756 0.1512 0.4661
313 25 0.5154 0.7577 0.7995
314 25 0.8488 0.4243 0.4661
315 25 0.2423 0.7578 0.7995
316 26 0.5499 0.0997 0.3772
317 26 0.5669 0.7835 0.7106
318 26 0.9003 0.4501 0.3772
319 26 0.2165 0.7835 0.7106
320 27 0.6692 0.8346 0.3336
321 27 0.832 0.1679 0.667
322 27 0.1654 0.8345 0.3336
323 27 0.8321 0.6641 0.667
324 30 0.7749 0.225 0.4875
325 30 0.4416 0.8832 0.8209
326 30 0.775 0.5498 0.4875
327 30 0.1168 0.5584 0.8209
328 31 0.5043 0.7521 0.4983
329 31 0.9145 0.0855 0.8317
330 31 0.2479 0.7521 0.4983
331 31 0.9145 0.8291 0.8317
332 32 0.9071 0.0929 0.2869
333 32 0.5737 0.1475 0.6203
334 32 0.9071 0.8141 0.2869
335 32 0.8525 0.4262 0.6203
336 33 0.5503 0.1005 0.6102
337 33 0.5661 0.7831 0.9436
338 33 0.8995 0.4497 0.6102
339 33 0.2169 0.7831 0.9436
340 34 0.436 0.8719 0.3832
341 34 0.7947 0.8974 0.7166
342 34 0.1281 0.564 0.3832
343 34 0.1026 0.8973 0.7166
344 35 0.4201 0.8401 0.3778
345 35 0.8265 0.9133 0.7112
346 35 0.1599 0.5799 0.3778
347 35 0.0867 0.9132 0.7112
348 36 0.9215 0.0785 0.5076
349 36 0.5881 0.1763 0.841
350 36 0.9215 0.8429 0.5076
351 36 0.8237 0.4118 0.841
352 37 0.8281 0.914 0.4971
353 37 0.7526 0.2474 0.8305
354 37 0.086 0.914 0.4971
355 37 0.7526 0.5052 0.8305
356 42 0.8467 0.9233 0.3373
357 42 0.7433 0.2567 0.6707
358 42 0.0767 0.9233 0.3373
359 42 0.7433 0.4866 0.6707
360 43 0.5027 0.7513 0.3313
361 43 0.9153 0.0847 0.6647
362 43 0.2487 0.7513 0.3313
363 43 0.9153 0.8306 0.6647
364 2 0.0 0.7399 0.9998
365 4 0.9946 0.3918 0.0976
366 7 0.0582 0.7292 0.2364
367 10 0.2625 0.2341 0.2063
368 11 0.4019 0.1048 0.1243
369 14 0.4121 0.3834 0.0445
370 15 0.107 0.7157 0.1064
371 21 0.0449 0.7444 0.2886
372 22 0.3873 0.9512 0.2239
373 2 0.74 0.0001 0.9998
374 2 0.2601 0.26 0.9998
375 4 0.3972 0.0054 0.0976
376 4 0.6082 0.6028 0.0976
377 7 0.671 0.9418 0.2364
378 7 0.2708 0.329 0.2364
379 10 0.9716 0.7375 0.2063
380 10 0.7659 0.0284 0.2063
381 11 0.7029 0.5981 0.1243
382 11 0.8952 0.2971 0.1243
383 14 0.9713 0.5879 0.0445
384 14 0.6166 0.0287 0.0445
385 15 0.6087 0.893 0.1064
386 15 0.2843 0.3913 0.1064
387 21 0.6995 0.9551 0.2886
388 21 0.2556 0.3005 0.2886
389 22 0.5639 0.6127 0.2239
390 22 0.0488 0.4361 0.2239
391 2 0.4067 0.3334 0.3331
392 2 0.5934 0.9267 0.6665
393 4 0.0639 0.3387 0.4309
394 4 0.9415 0.2695 0.7643
395 7 0.3377 0.2751 0.5697
396 7 0.6041 0.9957 0.9031
397 10 0.6383 0.0708 0.5396
398 10 0.0992 0.6951 0.873
399 11 0.3696 0.9314 0.4576
400 11 0.2285 0.9638 0.791
401 14 0.638 0.9212 0.3778
402 14 0.9499 0.6954 0.7112
403 15 0.2754 0.2263 0.4397
404 15 0.6176 0.058 0.7731
405 21 0.3662 0.2884 0.6219
406 21 0.5889 0.9672 0.9553
407 22 0.2306 0.946 0.5572
408 22 0.3821 0.1028 0.8906
409 2 0.9268 0.5933 0.3331
410 2 0.3332 0.4066 0.6665
411 2 0.6666 0.0732 0.3331
412 2 0.0733 0.6668 0.6665
413 4 0.2749 0.9361 0.4309
414 4 0.3279 0.0585 0.7643
415 4 0.6613 0.7251 0.4309
416 4 0.7305 0.6721 0.7643
417 7 0.9375 0.6623 0.5697
418 7 0.3915 0.3959 0.9031
419 7 0.7249 0.0625 0.5697
420 7 0.0043 0.6085 0.9031
421 10 0.4326 0.3617 0.5396
422 10 0.5958 0.9008 0.873
423 10 0.9292 0.5674 0.5396
424 10 0.3049 0.4042 0.873
425 11 0.5619 0.6304 0.4576
426 11 0.7352 0.7715 0.791
427 11 0.0686 0.4381 0.4576
428 11 0.0362 0.2648 0.791
429 14 0.2833 0.362 0.3778
430 14 0.7454 0.0501 0.7112
431 14 0.0788 0.7167 0.3778
432 14 0.3046 0.2546 0.7112
433 15 0.951 0.7246 0.4397
434 15 0.4403 0.3824 0.7731
435 15 0.7737 0.049 0.4397
436 15 0.942 0.5597 0.7731
437 21 0.9223 0.6338 0.6219
438 21 0.3782 0.4111 0.9553
439 21 0.7116 0.0777 0.6219
440 21 0.0328 0.6218 0.9553
441 22 0.7155 0.7694 0.5572
442 22 0.7206 0.6179 0.8906
443 22 0.054 0.2845 0.5572
444 22 0.8972 0.2794 0.8906
X-ray density (g/cm cub.) = 2.85
MU (1/cm) = 246.274 Mass attenuation coefficient (cm**2/g) = 86.397
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zr ,Ti ,Hf ,Nb 3.156 6
2.0273 9
2.0798 10
2.0614 11
2.1267 25
2.0798 10
2.0614 11
2 Ca 3.42 6
2.3626 18
2.4085 14
2.3048 26
2.3461 13
2.4197 19
2.3783 21
3 Si 2.64 4
1.6501 9
1.6333 12
1.5237 13
1.6323 12
4 Si 2.64 4
1.6319 16
1.6033 11
1.6319 15
1.6208 14
5 Si 2.64 4
1.6135 15
1.6429 17
1.5985 18
1.6135 15
6 Si 2.64 4
1.5442 19
1.6842 22
1.5904 23
1.6842 22
7 Si 2.64 4
1.6455 20
1.6065 21
1.5844 10
1.6459 22
8 Si 2.64 4
1.6598 24
1.5721 25
1.6417 26
1.6585 24
9 O 3.804 10
3.0152 10
2.8173 11
2.6314 12
2.6535 13
3.699 22
3.7799 39
2.6308 12
3.0159 10
2.8166 11
3.6976 22
10 O 3.804 11
3.0152 9
3.6258 13
2.8319 25
3.728 38
3.5886 40
3.6665 15
2.5727 20
2.6664 21
2.9406 10
3.0081 11
2.5786 22
11 O 3.804 10
2.8173 9
3.6536 22
3.0596 25
3.4724 26
3.6137 39
2.5925 16
3.0081 10
2.749 11
2.6652 14
2.6819 15
12 O 3.804 9
2.6314 9
2.6103 13
3.5715 22
2.6308 9
2.6234 12
2.6234 12
2.6104 13
3.335 19
3.5716 22
13 O 3.804 8
2.6535 9
3.6258 10
2.6103 12
2.6104 12
3.3863 21
2.7549 18
3.6258 10
3.3863 21
14 O 3.804 11
3.3633 26
2.6477 15
2.6752 16
3.7854 17
3.2056 18
3.2081 42
2.6251 43
3.4259 19
2.7858 21
2.6652 11
2.9235 14
15 O 3.804 11
2.6273 16
2.667 17
2.6869 18
3.6103 20
3.661 24
3.7744 44
3.6665 10
2.6477 14
2.6818 11
2.5347 15
3.7523 22
16 O 3.804 8
2.6273 15
2.5925 11
2.6752 14
3.472 22
2.626 15
2.5937 11
2.6744 14
3.4725 22
17 O 3.804 12
2.667 15
2.5935 18
2.4545 42
2.7652 44
2.497 46
3.7854 14
2.5553 17
2.5553 17
3.7978 42
2.4534 42
3.7866 14
2.6676 15
18 O 3.804 11
2.6869 15
2.5935 17
3.2027 24
3.4355 42
3.2056 14
3.4354 42
2.7551 13
3.3905 21
3.2057 14
2.6869 15
3.3904 21
19 O 3.804 11
3.211 21
3.335 12
2.7208 22
2.7167 23
3.3647 43
3.4256 14
2.7262 26
3.3648 43
3.211 21
2.7208 22
3.4256 14
20 O 3.804 10
3.6103 15
2.6832 21
2.6344 22
3.5658 23
2.5727 10
3.5658 23
2.5727 10
3.6104 15
2.6832 21
2.6344 22
21 O 3.804 10
3.211 19
2.6832 20
2.6664 10
3.3863 13
2.7799 42
3.1388 43
2.7855 14
3.3903 18
3.0122 21
2.7251 22
22 O 3.804 11
3.699 9
3.6536 11
3.5715 12
2.6344 20
2.571 23
3.472 16
2.7208 19
2.5786 10
3.7523 15
2.725 21
2.5247 22
23 O 3.804 12
3.5658 20
2.571 22
3.7426 44
2.2807 45
2.7071 47
2.7167 19
3.5658 20
2.5631 23
2.5631 23
2.9671 43
2.9671 43
2.571 22
24 O 3.804 9
3.661 15
3.2027 18
2.602 25
2.6974 26
2.6398 24
2.6398 24
2.6002 25
2.696 26
3.6617 15
25 O 3.804 8
2.8319 10
3.0596 11
2.602 24
2.7441 26
3.4413 40
2.6002 24
2.8327 10
3.059 11
26 O 3.804 8
3.4724 11
3.3633 14
2.6974 24
2.7441 25
2.696 24
2.7263 19
3.4724 11
3.3633 14
27 Fe ,Mn ,Na 3.348 6
2.2003 42
2.0625 43
2.0123 14
2.059 21
2.0111 14
2.0582 21
28 Si 2.64 5
1.4957 23
1.5192 45
2.4829 47
1.4954 23
1.4954 23
29 Si 2.64 7
1.5308 17
2.3214 42
1.6062 46
1.5308 17
1.5306 17
2.3212 42
2.3212 42
30 Na 3.348 9
2.8897 15
2.5538 20
2.5875 24
2.5763 25
3.319 40
2.6116 10
2.5761 25
2.6105 10
2.8892 15
31 Na 3.348 7
2.4972 9
2.575 11
2.7389 12
2.8264 39
2.4962 9
2.5795 16
2.5751 11
32 K ,K 3.768 12
3.3605 17
2.7548 18
2.6115 42
2.6154 46
2.6114 42
2.9872 10
3.1811 13
2.6614 38
3.067 40
2.6161 21
2.9871 10
2.6158 21
33 Na ,K 3.768 11
2.6057 10
2.6208 13
3.0626 38
3.3596 40
2.5097 21
2.7488 18
3.1195 42
3.2697 46
3.1194 42
2.6057 10
2.5097 21
34 Na ,Sr 3.612 11
2.7242 11
2.6128 14
2.826 26
2.9936 39
2.5415 41
2.8202 43
2.8203 43
3.0022 47
2.6774 19
2.7242 11
2.6128 14
35 Sr ,Ba 3.828 12
2.9844 11
2.7269 14
3.214 26
2.7668 39
2.1519 41
2.5404 43
2.5405 43
3.7627 23
2.5836 47
2.7449 19
2.9844 11
2.7269 14
36 Na ,Na 3.348 9
2.8119 15
2.3372 20
2.9832 22
2.9818 23
2.2004 44
2.0576 45
2.9818 23
2.8119 15
2.9831 22
37 Na ,Na 3.348 8
2.6062 22
2.7993 23
2.2454 44
2.3467 45
2.9664 15
2.3283 16
2.9664 15
2.6062 22
38 Cl ,Cl 4.344 20
3.728 10
4.2465 21
3.9887 25
0.6905 40
3.7279 10
3.7279 10
4.2465 21
4.2466 21
3.9887 25
3.9887 25
3.4244 42
2.5799 46
3.4244 42
3.4243 42
3.728 10
4.2465 21
3.7279 10
3.7279 10
4.2465 21
4.2466 21
39 Cl ,Cl 4.344 17
3.7799 9
3.6137 11
4.2845 16
1.6092 41
3.7759 43
3.7799 9
3.7799 9
3.6137 11
3.6137 11
4.2845 16
4.2845 16
3.7759 43
3.7759 43
3.1806 47
3.6137 11
3.6138 11
3.6136 11
40 H(2)O,Cl 4.344 14
3.5886 10
3.4413 25
0.6905 38
3.5884 10
3.5885 10
3.4412 25
3.4413 25
4.0174 42
3.2704 46
4.0174 42
4.0173 42
3.5886 10
3.5884 10
3.5885 10
41 H(2)O,Cl 4.344 20
4.2125 11
4.0471 14
1.6092 39
2.5961 43
4.2125 11
4.2125 11
4.0471 14
4.0471 14
2.5961 43
2.5961 43
4.1136 23
1.5714 47
4.1135 23
4.1135 23
4.2125 11
4.0472 14
4.2126 11
4.2124 11
4.0471 14
4.0469 14
42 O ,O 3.804 13
2.4545 17
3.4355 18
1.9175 46
3.2081 14
2.4534 17
3.7978 17
3.4354 18
3.2878 42
3.2878 42
2.7801 21
3.4246 38
3.208 14
2.7801 21
43 O ,O 3.804 13
3.7759 39
2.5961 41
2.6251 14
3.6312 43
3.6312 43
3.3648 19
3.1389 21
2.9673 23
2.0969 47
3.365 19
2.9672 23
2.6252 14
3.1391 21
44 OH ,O 3.852 13
3.7744 15
2.7652 17
3.7426 23
1.7023 45
3.7745 15
3.7742 15
2.7652 17
2.7651 17
3.7425 23
3.7425 23
3.7743 15
3.7744 15
3.7743 15
45 OH ,O 3.852 10
3.8301 22
2.2807 23
1.7023 44
3.8299 22
3.8298 22
2.2805 23
2.2805 23
3.83 22
3.83 22
3.8299 22
46 OH ,O 3.852 8
2.497 17
1.9175 42
2.497 17
2.4969 17
1.9173 42
1.9173 42
2.5802 38
3.2707 40
47 OH ,O 3.852 11
3.8393 19
2.7071 23
3.8395 19
3.8393 19
2.7069 23
2.7069 23
3.1803 39
1.5711 41
2.0969 43
2.0969 43
2.0969 43
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 4.482 8.964 0.044 324.49 6 93.5 60.3
2 0 0 3 5.128 10.256 0.05 247.38 2 81.6 11.7
3 1 0 -2 5.374 10.747 0.052 225.07 6 20.2 1.9
4 1 1 0 7.189 14.377 0.07 124.76 6 313.2 260.0
5 1 0 4 8.011 16.022 0.078 100.03 6 195.9 81.6
6 2 0 -1 8.484 16.968 0.082 88.94 6 150.0 42.5
7 1 1 3 8.846 17.692 0.086 81.64 12 44.6 6.9
8 2 0 2 8.992 17.984 0.087 78.94 6 384.3 247.7
9 1 0 -5 9.53 19.059 0.093 70.04 6 151.8 34.3
10 0 0 6 10.297 20.595 0.1 59.68 2 255.3 27.6
11 2 0 -4 10.795 21.59 0.105 54.11 6 155.7 27.9
12 2 1 1 11.155 22.309 0.108 50.54 12 103.0 22.8
13 2 1 -2 11.55 23.1 0.112 47.0 12 67.4 9.1
14 2 0 5 11.978 23.955 0.116 43.56 6 482.4 215.4
15 3 0 0 12.518 25.036 0.121 39.7 6 139.1 16.3
16 1 1 6 12.604 25.207 0.122 39.14 12 287.6 137.6
17 1 0 7 12.751 25.501 0.123 38.19 6 181.1 26.6
18 2 1 4 13.018 26.036 0.126 36.56 12 226.1 79.4
19 3 0 -3 13.559 27.118 0.131 33.54 6 122.7 10.7
20 3 0 3 13.559 27.118 0.131 33.54 6 409.1 119.3
21 2 1 -5 14.025 28.049 0.135 31.22 12 130.0 22.4
22 1 0 -8 14.421 28.843 0.139 29.42 6 283.0 50.1
23 2 2 0 14.494 28.988 0.14 29.11 6 504.2 157.3
24 2 0 -7 14.698 29.395 0.142 28.25 6 354.4 75.4
25 3 1 -1 15.2 30.4 0.147 26.29 12 487.3 265.3
26 2 2 3 15.412 30.824 0.149 25.52 12 91.5 9.1
27 3 1 2 15.499 30.998 0.149 25.21 12 327.4 114.8
28 0 0 9 15.553 31.107 0.15 25.02 2 146.9 3.8
29 2 0 8 16.184 32.368 0.156 22.97 6 637.1 198.1
30 3 0 -6 16.317 32.634 0.157 22.56 6 318.5 48.7
31 3 0 6 16.317 32.634 0.157 22.56 6 307.8 45.4
32 2 1 7 16.433 32.867 0.158 22.22 12 353.3 117.9
33 3 1 -4 16.646 33.292 0.16 21.61 12 34.9 1.1
34 4 0 1 16.889 33.779 0.162 20.94 6 63.5 1.8
35 4 0 -2 17.162 34.324 0.165 20.22 6 387.4 64.5
36 1 1 9 17.211 34.423 0.165 20.09 12 353.0 106.4
37 3 1 5 17.462 34.925 0.168 19.47 12 726.5 436.7
38 2 1 -8 17.79 35.579 0.171 18.69 12 241.6 46.4
39 1 0 10 17.852 35.704 0.171 18.55 6 110.0 4.8
40 2 2 6 17.912 35.824 0.172 18.41 12 323.5 81.9
41 4 0 4 18.216 36.432 0.175 17.75 6 1254.8 593.8
42 3 2 1 18.441 36.882 0.177 17.27 12 57.0 2.4
43 3 2 -2 18.694 37.388 0.179 16.76 12 117.3 9.8
44 4 0 -5 18.973 37.946 0.182 16.22 6 191.2 12.6
45 4 1 0 19.335 38.669 0.185 15.56 12 265.3 46.6
46 2 0 -10 19.337 38.673 0.185 15.56 6 526.3 91.6
47 3 1 -7 19.493 38.986 0.187 15.28 12 347.6 78.5
48 1 0 -11 19.608 39.217 0.188 15.08 6 91.1 2.7
49 3 2 4 19.677 39.354 0.188 14.97 12 207.9 27.5
50 4 1 -3 20.056 40.112 0.192 14.35 12 95.9 5.6
51 4 1 3 20.056 40.112 0.192 14.35 12 84.3 4.3
52 3 0 -9 20.168 40.337 0.193 14.17 6 716.3 154.5
53 3 0 9 20.168 40.337 0.193 14.17 6 348.0 36.5
54 3 2 -5 20.388 40.776 0.195 13.83 12 47.7 1.3
55 3 1 8 20.676 41.351 0.197 13.41 12 84.3 4.0
56 2 1 10 20.731 41.461 0.198 13.33 12 221.7 27.8
57 4 0 7 20.878 41.757 0.199 13.12 6 53.8 0.8
58 0 0 12 20.947 41.895 0.2 13.02 2 583.8 31.4
59 2 0 11 20.987 41.975 0.2 12.96 6 105.2 3.0
60 5 0 -1 21.252 42.504 0.203 12.61 6 398.5 42.5
61 5 0 2 21.477 42.953 0.205 12.31 6 57.7 0.9
62 2 2 9 21.518 43.035 0.205 12.26 12 111.0 6.4
63 4 0 -8 21.999 43.999 0.209 11.66 6 415.4 42.8
64 3 3 0 22.05 44.1 0.21 11.6 6 308.8 23.5
65 4 1 -6 22.102 44.204 0.21 11.54 12 182.1 16.3
66 4 1 6 22.102 44.204 0.21 11.54 12 172.7 14.6
67 3 2 7 22.192 44.385 0.211 11.44 12 109.9 5.9
68 1 1 12 22.258 44.516 0.212 11.36 12 86.3 3.6
69 2 1 -11 22.296 44.592 0.212 11.32 12 163.7 12.9
70 5 0 -4 22.358 44.716 0.213 11.25 6 108.9 2.8
71 4 2 -1 22.548 45.097 0.214 11.03 12 338.2 53.6
72 3 3 3 22.7 45.4 0.216 10.87 12 56.8 1.5
73 4 2 2 22.763 45.526 0.216 10.8 12 142.9 9.4
74 5 0 5 23.001 46.002 0.218 10.55 6 3.9 0.0
75 1 0 13 23.203 46.405 0.22 10.34 6 225.2 11.1
76 3 2 -8 23.263 46.525 0.221 10.28 12 249.0 27.1
77 3 1 -10 23.313 46.626 0.221 10.23 12 234.6 23.9
78 4 2 -4 23.606 47.212 0.224 9.95 12 121.0 6.2
79 5 1 1 23.789 47.577 0.225 9.77 12 209.1 18.2
80 5 1 -2 23.995 47.989 0.227 9.58 12 356.9 51.9
81 4 2 5 24.224 48.447 0.229 9.38 12 291.6 33.9
82 2 0 -13 24.417 48.835 0.231 9.21 6 101.8 2.0
83 4 0 10 24.523 49.047 0.232 9.12 6 726.6 102.3
84 3 3 6 24.57 49.139 0.232 9.08 12 207.5 16.6
85 5 0 -7 24.653 49.306 0.233 9.01 6 229.7 10.1
86 3 0 -12 24.714 49.427 0.234 8.96 6 81.6 1.3
87 3 0 12 24.714 49.427 0.234 8.96 6 46.3 0.4
88 3 1 11 24.749 49.497 0.234 8.93 12 215.9 17.7
89 5 1 4 24.806 49.611 0.235 8.89 12 272.0 27.9
90 1 0 -14 25.044 50.087 0.237 8.7 6 378.8 26.5
91 4 1 -9 25.217 50.433 0.238 8.56 12 258.5 24.3
92 4 1 9 25.217 50.433 0.238 8.56 12 155.8 8.8
93 5 1 -5 25.401 50.803 0.24 8.42 12 151.0 8.2
94 2 1 13 25.589 51.177 0.241 8.28 12 33.2 0.4
95 5 0 8 25.644 51.289 0.242 8.24 6 277.3 13.5
96 6 0 0 25.689 51.379 0.242 8.21 6 90.7 1.4
97 3 2 10 25.691 51.382 0.242 8.2 12 305.4 32.5
98 4 2 -7 25.816 51.632 0.243 8.11 12 309.8 33.1
99 2 2 12 25.875 51.75 0.244 8.07 12 248.7 21.2
100 4 0 -11 25.909 51.818 0.244 8.05 6 163.4 4.6
101 4 3 1 26.134 52.269 0.246 7.89 12 205.3 14.1
102 2 0 14 26.194 52.389 0.247 7.85 6 139.9 3.3
103 6 0 -3 26.27 52.541 0.247 7.8 6 265.6 11.7
104 6 0 3 26.27 52.541 0.247 7.8 6 89.8 1.3
105 4 3 -2 26.327 52.654 0.248 7.76 12 157.8 8.2
106 0 0 15 26.544 53.089 0.25 7.62 2 283.0 4.3
107 4 2 8 26.777 53.553 0.252 7.47 12 582.0 107.5
108 5 2 0 26.82 53.64 0.252 7.44 12 92.9 2.7
109 5 1 7 26.943 53.887 0.253 7.36 12 134.3 5.6
110 3 2 -11 27.033 54.066 0.254 7.31 12 194.7 11.8
111 4 3 4 27.087 54.174 0.255 7.27 12 259.3 20.8
112 2 1 -14 27.311 54.621 0.256 7.14 12 163.6 8.1
113 5 2 -3 27.384 54.769 0.257 7.09 12 197.8 11.8
114 5 2 3 27.384 54.769 0.257 7.09 12 24.0 0.2
115 3 3 9 27.473 54.947 0.258 7.04 12 401.7 48.3
116 4 3 -5 27.647 55.295 0.259 6.94 12 106.1 3.3
117 1 1 15 27.651 55.301 0.259 6.94 12 180.4 9.6
118 3 1 -13 27.824 55.648 0.261 6.84 12 274.6 21.9
119 5 1 -8 27.877 55.753 0.261 6.81 12 89.5 2.3
120 5 0 -10 27.921 55.841 0.262 6.79 6 47.8 0.3
121 6 0 -6 27.963 55.926 0.262 6.77 6 399.9 23.0
122 6 0 6 27.963 55.926 0.262 6.77 6 619.8 55.2
123 6 1 -1 28.34 56.68 0.265 6.56 12 308.4 26.5
124 6 1 2 28.522 57.044 0.267 6.47 12 304.6 25.5
125 1 0 16 28.824 57.649 0.27 6.32 6 341.6 15.7
126 4 0 13 28.897 57.795 0.27 6.28 6 49.4 0.3
127 4 2 -10 28.992 57.983 0.271 6.23 12 346.3 31.8
128 5 2 -6 29.033 58.066 0.271 6.21 12 362.6 34.7
129 5 2 6 29.033 58.066 0.271 6.21 12 162.9 7.0
130 4 3 7 29.107 58.214 0.272 6.18 12 235.3 14.5
131 4 1 -12 29.161 58.323 0.272 6.15 12 207.5 11.3
132 4 1 12 29.161 58.323 0.272 6.15 12 266.9 18.6
133 5 0 11 29.193 58.385 0.273 6.14 6 155.3 3.1
134 6 1 -4 29.244 58.487 0.273 6.11 12 225.2 13.2
135 3 1 14 29.456 58.913 0.275 6.02 12 142.3 5.2
136 6 1 5 29.777 59.555 0.278 5.87 12 155.2 6.0
137 3 0 -15 29.78 59.561 0.278 5.87 6 271.7 9.2
138 3 0 15 29.78 59.561 0.278 5.87 6 114.1 1.6
139 2 0 -16 29.875 59.749 0.278 5.83 6 248.5 7.6
140 3 2 13 29.946 59.892 0.279 5.8 12 178.8 7.9
141 4 3 -8 29.996 59.992 0.279 5.78 12 122.8 3.7
142 4 4 0 30.036 60.073 0.28 5.76 6 1181.9 170.9
143 5 1 10 30.038 60.076 0.28 5.76 12 374.7 34.4
144 4 2 11 30.235 60.469 0.281 5.67 12 422.5 43.1
145 5 3 -1 30.439 60.877 0.283 5.59 12 225.5 12.1
146 7 0 1 30.439 60.877 0.283 5.59 6 74.1 0.7
147 4 0 -14 30.493 60.986 0.284 5.57 6 760.3 68.4
148 4 4 3 30.562 61.124 0.284 5.54 12 77.7 1.4
149 5 3 2 30.613 61.226 0.285 5.52 12 184.7 8.0
150 7 0 -2 30.613 61.226 0.285 5.52 6 48.2 0.3
151 6 0 -9 30.645 61.29 0.285 5.51 6 93.4 1.0
152 6 0 9 30.645 61.29 0.285 5.51 6 102.6 1.2
153 1 0 -17 30.771 61.541 0.286 5.46 6 55.9 0.4
154 2 2 15 30.81 61.621 0.286 5.44 12 201.6 9.4
155 2 1 16 30.903 61.805 0.287 5.4 12 110.2 2.8
156 6 1 -7 31.174 62.347 0.289 5.3 12 15.4 0.1
157 3 3 12 31.226 62.451 0.29 5.28 12 152.2 5.2
158 5 1 -11 31.256 62.511 0.29 5.27 12 57.0 0.7
159 5 3 -4 31.305 62.609 0.29 5.25 12 153.5 5.3
160 7 0 4 31.305 62.609 0.29 5.25 6 321.9 11.6
161 6 2 1 31.456 62.912 0.292 5.2 12 169.8 6.4
162 3 2 -14 31.509 63.018 0.292 5.18 12 363.9 29.2
163 6 2 -2 31.627 63.254 0.293 5.14 12 414.7 37.5
164 5 2 -9 31.658 63.316 0.293 5.12 12 44.3 0.4
165 5 2 9 31.658 63.316 0.293 5.12 12 76.2 1.3
166 2 0 17 31.782 63.563 0.294 5.08 6 212.0 4.9
167 5 3 5 31.818 63.636 0.295 5.07 12 107.6 2.5
168 7 0 -5 31.818 63.636 0.295 5.07 6 366.7 14.5
169 5 0 -13 31.98 63.96 0.296 5.01 6 99.2 1.0
170 6 1 8 32.028 64.057 0.296 5.0 12 176.9 6.6
171 4 3 10 32.069 64.138 0.297 4.98 12 54.5 0.6
172 4 4 6 32.108 64.215 0.297 4.97 12 666.7 93.9
173 6 2 4 32.306 64.613 0.299 4.9 12 287.5 17.2
174 0 0 18 32.43 64.86 0.3 4.86 2 661.9 15.1
175 2 1 -17 32.775 65.551 0.303 4.75 12 28.4 0.2
176 6 2 -5 32.811 65.622 0.303 4.74 12 383.6 29.7
177 3 1 -16 32.903 65.806 0.304 4.71 12 74.3 1.1
178 4 2 -13 32.97 65.941 0.304 4.69 12 333.3 22.2
179 7 1 0 33.056 66.113 0.305 4.67 12 43.2 0.4
180 5 3 -7 33.165 66.33 0.306 4.64 12 90.2 1.6
181 7 0 7 33.165 66.33 0.306 4.64 6 135.3 1.8
182 4 3 -11 33.244 66.489 0.306 4.61 12 46.7 0.4
183 1 1 18 33.413 66.827 0.308 4.56 12 321.3 20.0
184 5 0 14 33.49 66.979 0.308 4.54 6 237.9 5.5
185 7 1 -3 33.555 67.11 0.309 4.52 12 230.1 10.2
186 7 1 3 33.555 67.11 0.309 4.52 12 121.7 2.8
187 4 1 -15 33.791 67.583 0.311 4.46 12 110.5 2.3
188 4 1 15 33.791 67.583 0.311 4.46 12 228.1 9.9
189 4 0 16 33.879 67.758 0.312 4.43 6 924.4 80.5
190 5 1 13 33.946 67.892 0.312 4.41 12 49.1 0.5
191 5 3 8 33.993 67.985 0.313 4.4 12 103.4 2.0
192 7 0 -8 33.993 67.985 0.313 4.4 6 185.1 3.2
193 6 1 -10 34.032 68.064 0.313 4.39 12 420.0 32.9
194 6 2 7 34.137 68.275 0.314 4.36 12 255.1 12.1
195 6 0 -12 34.187 68.374 0.314 4.35 6 147.9 2.0
196 6 0 12 34.187 68.374 0.314 4.35 6 327.4 9.9
197 5 4 1 34.407 68.813 0.316 4.29 12 19.0 0.1
198 4 2 14 34.458 68.915 0.316 4.28 12 348.3 22.1
199 5 4 -2 34.57 69.14 0.317 4.25 12 65.4 0.8
200 4 4 9 34.6 69.2 0.317 4.24 12 24.7 0.1
201 3 1 17 34.718 69.436 0.318 4.21 12 101.9 1.9
202 1 0 19 34.796 69.592 0.319 4.19 6 238.5 5.1
203 3 2 16 34.842 69.684 0.319 4.18 12 531.4 50.2
204 6 2 -8 34.954 69.908 0.32 4.16 12 67.4 0.8
205 6 3 0 34.991 69.983 0.321 4.15 12 293.7 15.2
206 7 1 -6 35.03 70.06 0.321 4.14 12 188.4 6.2
207 7 1 6 35.03 70.06 0.321 4.14 12 96.8 1.6
208 5 2 -12 35.146 70.292 0.322 4.11 12 109.2 2.1
209 5 2 12 35.146 70.292 0.322 4.11 12 238.3 9.9
210 6 1 11 35.174 70.349 0.322 4.1 12 160.7 4.5
211 5 4 4 35.22 70.441 0.322 4.09 12 305.5 16.2
212 3 0 -18 35.339 70.678 0.323 4.07 6 141.6 1.7
213 3 0 18 35.339 70.678 0.323 4.07 6 158.3 2.2
214 8 0 -1 35.363 70.726 0.324 4.06 6 282.7 6.9
215 5 1 -14 35.413 70.826 0.324 4.05 12 477.2 39.2
216 6 3 -3 35.477 70.954 0.324 4.03 12 231.5 9.2
217 6 3 3 35.477 70.954 0.324 4.03 12 76.1 1.0
218 8 0 2 35.524 71.049 0.325 4.02 6 547.9 25.7
219 4 0 -17 35.671 71.341 0.326 3.99 6 162.1 2.2
220 5 4 -5 35.705 71.41 0.326 3.98 12 24.6 0.1
221 3 3 15 35.708 71.415 0.326 3.98 12 15.7 0.0
222 2 0 -19 35.747 71.495 0.327 3.97 6 42.4 0.2
223 4 3 13 35.858 71.716 0.327 3.95 12 275.7 12.8
224 5 3 -10 35.942 71.884 0.328 3.93 12 85.3 1.2
225 7 0 10 35.942 71.884 0.328 3.93 6 69.1 0.4
226 8 0 -4 36.167 72.335 0.33 3.88 6 445.9 16.4
227 2 2 18 36.285 72.569 0.331 3.86 12 260.8 11.2
228 7 2 -1 36.308 72.616 0.331 3.86 12 135.3 3.0
229 7 2 2 36.468 72.936 0.332 3.82 12 244.3 9.7
230 3 2 -17 36.613 73.225 0.333 3.79 12 72.2 0.8
231 8 0 5 36.646 73.293 0.334 3.79 6 34.4 0.1
232 2 1 19 36.689 73.377 0.334 3.78 12 130.5 2.7
233 5 0 -16 36.734 73.468 0.334 3.77 6 541.2 23.5
234 6 2 10 36.881 73.763 0.335 3.74 12 360.1 20.6
235 1 0 -20 36.886 73.771 0.336 3.74 6 209.4 3.5
236 6 3 -6 36.918 73.836 0.336 3.74 12 185.7 5.5
237 6 3 6 36.918 73.836 0.336 3.74 12 222.6 7.9
238 5 4 7 36.983 73.967 0.336 3.72 12 213.2 7.2
239 5 3 11 37.059 74.118 0.337 3.71 12 360.1 20.4
240 7 0 -11 37.059 74.118 0.337 3.71 6 253.1 5.0
241 7 2 -4 37.104 74.208 0.337 3.7 12 172.5 4.7
242 4 3 -14 37.293 74.586 0.339 3.67 12 288.4 13.0
243 7 1 -9 37.431 74.862 0.34 3.64 12 181.7 5.1
244 7 1 9 37.431 74.862 0.34 3.64 12 198.5 6.1
245 7 2 5 37.579 75.157 0.341 3.62 12 206.3 6.5
246 4 2 -16 37.665 75.331 0.342 3.6 12 421.7 27.2
247 6 1 -13 37.729 75.458 0.342 3.59 12 75.2 0.9
248 5 4 -8 37.774 75.548 0.342 3.58 12 148.2 3.3
249 2 0 20 37.816 75.631 0.343 3.57 6 233.8 4.2
250 8 0 -7 37.913 75.825 0.343 3.56 6 28.8 0.1
251 4 4 12 37.96 75.921 0.344 3.55 12 431.4 28.1
252 6 2 -11 37.988 75.975 0.344 3.55 12 167.9 4.2
253 8 1 1 38.171 76.342 0.345 3.52 12 230.1 7.9
254 8 1 -2 38.328 76.656 0.347 3.49 12 152.3 3.4
255 5 0 17 38.47 76.94 0.348 3.47 6 77.7 0.4
256 6 0 -15 38.506 77.012 0.348 3.46 6 146.1 1.6
257 6 0 15 38.506 77.012 0.348 3.46 6 308.4 7.0
258 3 1 -19 38.545 77.089 0.348 3.46 12 220.8 7.2
259 5 1 16 38.589 77.178 0.349 3.45 12 81.1 1.0
260 8 0 8 38.697 77.394 0.349 3.43 6 591.1 25.5
261 0 0 21 38.73 77.459 0.35 3.43 2 299.6 2.2
262 5 5 0 38.733 77.466 0.35 3.43 6 508.9 18.9
263 2 1 -20 38.738 77.477 0.35 3.43 12 293.0 12.5
264 7 2 -7 38.835 77.669 0.351 3.41 12 144.1 3.0
265 8 1 4 38.953 77.907 0.351 3.4 12 60.8 0.5
266 4 1 -18 39.068 78.135 0.352 3.38 12 132.3 2.5
267 4 1 18 39.068 78.135 0.352 3.38 12 150.4 3.3
268 6 4 -1 39.091 78.182 0.352 3.38 12 305.6 13.4
269 6 1 14 39.139 78.279 0.353 3.37 12 38.5 0.2
270 5 5 3 39.201 78.402 0.353 3.36 12 34.6 0.2
271 6 4 2 39.247 78.493 0.354 3.35 12 371.6 19.7
272 6 3 -9 39.275 78.55 0.354 3.35 12 80.6 0.9
273 6 3 9 39.275 78.55 0.354 3.35 12 137.8 2.7
274 4 2 17 39.388 78.775 0.355 3.33 12 113.0 1.8
275 8 1 -5 39.421 78.841 0.355 3.33 12 474.4 31.9
276 5 2 -15 39.423 78.847 0.355 3.33 12 350.1 17.4
277 5 2 15 39.423 78.847 0.355 3.33 12 145.2 3.0
278 4 0 19 39.462 78.924 0.355 3.32 6 88.8 0.6
279 5 3 -13 39.569 79.138 0.356 3.31 12 97.2 1.3
280 7 0 13 39.569 79.138 0.356 3.31 6 261.6 4.8
281 7 2 8 39.613 79.226 0.356 3.3 12 57.8 0.5
282 1 1 21 39.646 79.291 0.357 3.3 12 129.7 2.4
283 5 4 10 39.65 79.3 0.357 3.3 12 21.6 0.1
284 6 4 -4 39.868 79.736 0.358 3.27 12 218.5 6.6
285 7 3 1 40.005 80.009 0.359 3.25 12 246.4 8.4
286 7 3 -2 40.159 80.319 0.361 3.23 12 13.5 0.0
287 5 1 -17 40.3 80.599 0.362 3.22 12 65.2 0.6
288 6 4 5 40.333 80.665 0.362 3.21 12 69.5 0.7
289 3 2 19 40.373 80.747 0.362 3.21 12 134.1 2.5
290 4 3 16 40.417 80.835 0.362 3.2 12 273.4 10.2
291 6 2 13 40.48 80.96 0.363 3.2 12 44.9 0.3
292 9 0 0 40.559 81.119 0.363 3.19 6 117.5 0.9
293 8 0 -10 40.561 81.121 0.363 3.19 6 794.6 42.8
294 3 1 20 40.565 81.13 0.364 3.19 12 293.0 11.6
295 5 5 6 40.596 81.192 0.364 3.18 12 757.2 77.6
296 8 1 7 40.66 81.32 0.364 3.18 12 230.0 7.1
297 7 1 -12 40.707 81.413 0.365 3.17 12 57.8 0.5
298 7 1 12 40.707 81.413 0.365 3.17 12 152.5 3.1
299 5 4 -11 40.733 81.467 0.365 3.17 12 113.0 1.7
300 7 3 4 40.777 81.555 0.365 3.16 12 119.8 1.9
301 3 3 18 40.89 81.781 0.366 3.15 12 134.8 2.4
302 5 3 14 40.961 81.922 0.366 3.14 12 193.6 5.0
303 7 0 -14 40.961 81.922 0.366 3.14 6 262.8 4.6
304 9 0 -3 41.022 82.044 0.367 3.14 6 46.9 0.1
305 9 0 3 41.022 82.044 0.367 3.14 6 127.4 1.1
306 7 3 -5 41.24 82.479 0.368 3.11 12 168.6 3.8
307 1 0 22 41.255 82.51 0.369 3.11 6 30.7 0.1
308 8 1 -8 41.43 82.86 0.37 3.09 12 171.7 3.9
309 3 0 -21 41.462 82.925 0.37 3.09 6 632.2 26.2
310 3 0 21 41.462 82.925 0.37 3.09 6 188.6 2.3
311 8 2 0 41.465 82.931 0.37 3.09 12 526.5 36.4
312 7 2 -10 41.467 82.933 0.37 3.09 12 222.9 6.5
313 4 0 -20 41.471 82.942 0.37 3.09 6 743.3 36.3
314 6 4 -7 41.565 83.131 0.371 3.08 12 299.3 11.7
315 8 0 11 41.639 83.277 0.371 3.07 6 75.5 0.4
316 6 2 -14 41.865 83.731 0.373 3.05 12 410.5 21.9
317 8 2 -3 41.926 83.852 0.374 3.05 12 31.8 0.1
318 8 2 3 41.926 83.852 0.374 3.05 12 315.3 12.9
319 4 3 -17 42.11 84.221 0.375 3.03 12 194.9 4.9
320 4 4 15 42.146 84.291 0.375 3.03 12 95.1 1.2
321 2 0 -22 42.158 84.316 0.375 3.02 6 370.9 8.8
322 5 0 -19 42.183 84.367 0.375 3.02 6 402.0 10.4
323 6 1 -16 42.227 84.454 0.376 3.02 12 18.1 0.0
324 6 4 8 42.333 84.665 0.376 3.01 12 270.5 9.4
325 2 2 21 42.365 84.73 0.377 3.01 12 248.6 7.9
326 3 2 -20 42.373 84.746 0.377 3.01 12 88.3 1.0
327 9 0 -6 42.404 84.809 0.377 3.0 6 221.5 3.1
328 9 0 6 42.404 84.809 0.377 3.0 6 139.2 1.2
329 7 3 7 42.468 84.935 0.377 3.0 12 217.3 6.0
330 6 3 -12 42.514 85.028 0.378 2.99 12 78.8 0.8
331 6 3 12 42.514 85.028 0.378 2.99 12 40.3 0.2
332 7 2 11 42.541 85.081 0.378 2.99 12 37.9 0.2
333 5 5 9 42.9 85.8 0.381 2.96 12 92.4 1.1
334 2 1 22 43.058 86.117 0.382 2.95 12 216.4 5.9
335 4 2 -19 43.084 86.168 0.382 2.95 12 88.6 1.0
336 5 4 13 43.189 86.378 0.383 2.94 12 162.7 3.3
337 7 3 -8 43.233 86.465 0.383 2.94 12 95.8 1.1
338 8 1 10 43.269 86.538 0.383 2.93 12 228.6 6.5
339 8 2 -6 43.304 86.608 0.383 2.93 12 271.1 9.2
340 8 2 6 43.304 86.608 0.383 2.93 12 57.7 0.4
341 1 0 -23 43.553 87.107 0.385 2.91 6 36.4 0.1
342 6 0 -18 43.596 87.191 0.385 2.91 6 568.7 20.0
343 6 0 18 43.596 87.191 0.385 2.91 6 58.6 0.2
344 6 5 1 43.618 87.236 0.386 2.91 12 50.6 0.3
345 9 1 -1 43.618 87.236 0.386 2.91 12 136.5 2.3
346 6 5 -2 43.771 87.542 0.387 2.9 12 68.0 0.6
347 9 1 2 43.771 87.542 0.387 2.9 12 383.9 18.2
348 6 1 17 43.909 87.819 0.388 2.89 12 149.9 2.8
349 5 1 19 43.982 87.964 0.388 2.89 12 26.1 0.1
350 5 3 -16 44.026 88.051 0.388 2.88 12 165.7 3.4
351 7 0 16 44.026 88.051 0.388 2.88 6 109.9 0.7
352 8 0 -13 44.087 88.175 0.389 2.88 6 313.5 6.0
353 7 4 0 44.166 88.332 0.389 2.87 12 73.7 0.7
354 6 4 -10 44.167 88.334 0.389 2.87 12 322.4 12.7
355 5 0 20 44.171 88.342 0.39 2.87 6 20.1 0.0
356 8 1 -11 44.338 88.676 0.391 2.86 12 197.9 4.8
357 6 5 4 44.381 88.763 0.391 2.86 12 131.4 2.1
358 9 1 -4 44.381 88.763 0.391 2.86 12 64.8 0.5
359 2 0 23 44.451 88.902 0.391 2.86 6 74.1 0.3
360 5 2 -18 44.493 88.987 0.392 2.86 12 141.1 2.4
361 5 2 18 44.493 88.987 0.392 2.86 12 81.6 0.8
362 5 4 -14 44.563 89.127 0.392 2.85 12 177.0 3.8
363 7 4 -3 44.624 89.247 0.393 2.85 12 388.8 18.3
364 7 4 3 44.624 89.247 0.393 2.85 12 107.4 1.4
365 9 0 -9 44.696 89.393 0.393 2.84 6 295.9 5.3
366 9 0 9 44.696 89.393 0.393 2.84 6 51.4 0.2
367 6 5 -5 44.839 89.678 0.394 2.84 12 61.5 0.5
368 9 1 5 44.839 89.678 0.394 2.84 12 80.2 0.8
369 7 1 -15 44.842 89.684 0.394 2.84 12 166.8 3.4
370 7 1 15 44.842 89.684 0.394 2.84 12 145.8 2.6
371 3 1 -22 44.854 89.709 0.394 2.84 12 274.0 9.0
372 6 2 16 44.923 89.846 0.395 2.83 12 292.7 10.3
373 7 2 -13 44.985 89.969 0.395 2.83 12 37.3 0.2
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 4.482 8.964 11.44542 60.3 10.2 10.4 5.6
2 0 0 3 5.128 10.256 10.0076 11.7 2.0 2.0 5.6
3 1 1 0 7.189 14.377 7.1478 260.0 43.8 44.5 5.6
4 1 0 4 8.011 16.022 6.41829 81.6 13.7 14.0 5.6
5 2 0 1 8.484 16.968 6.06265 42.5 7.2 7.3 5.6
6 1 1 3 8.846 17.692 5.81654 6.9 1.2 1.2 5.6
7 2 0 2 8.992 17.984 5.72271 247.7 41.7 42.3 5.6
8 1 0 5 9.53 19.059 5.40265 34.3 5.8 5.9 5.6
9 0 0 6 10.297 20.595 5.0038 27.6 4.6 4.7 5.6
10 2 0 4 10.795 21.59 4.77557 27.9 4.7 4.8 5.6
11 2 1 1 11.155 22.309 4.62351 22.8 3.8 3.9 5.6
12 2 1 2 11.55 23.1 4.46732 9.1 1.5 1.5 5.6
13 2 0 5 11.978 23.955 4.30999 215.4 36.3 36.7 5.6
14 3 0 0 12.518 25.036 4.12678 16.3 2.8 2.8 5.6
15 1 1 6 12.604 25.207 4.09918 137.6 23.2 23.4 5.6
16 1 0 7 12.751 25.501 4.05267 26.6 4.5 4.5 5.6
17 2 1 4 13.018 26.036 3.97085 79.4 13.4 13.5 5.6
18 3 0 3 13.559 27.118 3.81514 130.0 21.9 22.1 5.6
19 2 1 5 14.025 28.049 3.69092 22.4 3.8 3.8 5.6
20 1 0 8 14.421 28.843 3.59147 50.1 8.4 8.5 5.6
21 2 2 0 14.494 28.988 3.5739 157.3 26.5 26.7 5.6
22 2 0 7 14.698 29.395 3.52544 75.4 12.7 12.8 5.6
23 3 1 1 15.2 30.4 3.41145 265.3 44.7 44.9 5.6
24 2 2 3 15.412 30.824 3.36572 9.1 1.5 1.5 5.6
25 3 1 2 15.499 30.998 3.34724 114.8 19.3 19.4 5.6
26 2 0 8 16.184 32.368 3.20915 198.1 33.4 33.5 5.6
27 3 0 6 16.317 32.634 3.18371 94.1 15.8 15.9 5.6
28 2 1 7 16.433 32.867 3.16177 117.9 19.9 19.9 5.6
29 4 0 2 17.162 34.324 3.03133 64.5 10.9 10.9 5.7
30 1 1 9 17.211 34.423 3.02287 106.4 17.9 18.0 5.7
31 3 1 5 17.462 34.925 2.98074 436.7 73.5 73.6 5.7
32 2 1 8 17.79 35.579 2.92762 46.4 7.8 7.8 5.7
33 2 2 6 17.912 35.824 2.90827 81.9 13.8 13.8 5.7
34 4 0 4 18.216 36.432 2.86136 593.8 100.0 100.0 5.7
35 3 2 2 18.694 37.388 2.79073 9.8 1.7 1.6 5.7
36 4 0 5 18.973 37.946 2.75111 12.6 2.1 2.1 5.7
37 2 0 10 19.337 38.673 2.70133 138.1 23.3 23.2 5.7
38 3 1 7 19.493 38.986 2.6805 78.5 13.2 13.2 5.7
39 3 2 4 19.677 39.354 2.65641 27.5 4.6 4.6 5.7
40 4 1 3 20.056 40.112 2.60825 9.9 1.7 1.7 5.7
41 3 0 9 20.168 40.337 2.59428 190.9 32.2 32.0 5.7
42 2 1 10 20.731 41.461 2.52689 27.8 4.7 4.7 5.7
43 0 0 12 20.947 41.895 2.5019 31.4 5.3 5.3 5.7
44 5 0 1 21.252 42.504 2.46769 42.5 7.2 7.1 5.7
45 2 2 9 21.518 43.035 2.43863 6.4 1.1 1.1 5.7
46 4 0 8 21.999 43.999 2.38778 42.8 7.2 7.1 5.7
47 3 3 0 22.05 44.1 2.3826 23.5 4.0 3.9 5.7
48 4 1 6 22.102 44.204 2.37725 30.9 5.2 5.2 5.7
49 2 1 11 22.296 44.592 2.35761 12.9 2.2 2.2 5.7
50 4 2 1 22.548 45.097 2.33259 53.6 9.0 9.0 5.7
51 4 2 2 22.763 45.526 2.31176 9.4 1.6 1.6 5.7
52 1 0 13 23.203 46.405 2.27028 11.1 1.9 1.9 5.7
53 3 2 8 23.263 46.525 2.26476 27.1 4.6 4.5 5.7
54 3 1 10 23.313 46.626 2.26016 23.9 4.0 4.0 5.7
55 4 2 4 23.606 47.212 2.23366 6.2 1.0 1.0 5.7
56 5 1 1 23.789 47.577 2.2175 18.2 3.1 3.0 5.7
57 5 1 2 23.995 47.989 2.19958 51.9 8.7 8.6 5.7
58 4 2 5 24.224 48.447 2.18002 33.9 5.7 5.6 5.7
59 4 0 10 24.523 49.047 2.155 102.3 17.2 17.0 5.7
60 3 3 6 24.57 49.139 2.15118 16.6 2.8 2.8 5.7
61 5 0 7 24.653 49.306 2.14438 10.1 1.7 1.7 5.7
62 3 1 11 24.749 49.497 2.1366 17.7 3.0 2.9 5.7
63 5 1 4 24.806 49.611 2.13199 27.9 4.7 4.6 5.7
64 1 0 14 25.044 50.087 2.11302 26.5 4.5 4.4 5.7
65 4 1 9 25.217 50.433 2.09946 33.1 5.6 5.5 5.8
66 5 1 5 25.401 50.803 2.08519 8.2 1.4 1.4 5.8
67 5 0 8 25.644 51.289 2.06676 13.5 2.3 2.2 5.8
68 3 2 10 25.691 51.382 2.06326 34.0 5.7 5.6 5.8
69 4 2 7 25.816 51.632 2.05394 33.1 5.6 5.5 5.8
70 2 2 12 25.875 51.75 2.04959 21.2 3.6 3.5 5.8
71 4 3 1 26.134 52.269 2.03066 14.1 2.4 2.3 5.8
72 6 0 3 26.27 52.541 2.02088 13.0 2.2 2.2 5.8
73 4 3 2 26.327 52.654 2.01686 8.2 1.4 1.4 5.8
74 4 2 8 26.777 53.553 1.98543 107.5 18.1 17.8 5.8
75 3 2 11 27.033 54.066 1.96798 11.8 2.0 1.9 5.8
76 4 3 4 27.087 54.174 1.96438 20.8 3.5 3.4 5.8
77 2 1 14 27.311 54.621 1.94951 8.1 1.4 1.3 5.8
78 5 2 3 27.384 54.769 1.94466 12.0 2.0 2.0 5.8
79 3 3 9 27.473 54.947 1.93885 48.3 8.1 8.0 5.8
80 1 1 15 27.651 55.301 1.92738 12.9 2.2 2.1 5.8
81 3 1 13 27.824 55.648 1.91633 21.9 3.7 3.6 5.8
82 6 0 6 27.963 55.926 1.90757 78.2 13.2 12.9 5.8
83 6 1 1 28.34 56.68 1.88426 26.5 4.5 4.4 5.8
84 6 1 2 28.522 57.044 1.87323 25.5 4.3 4.2 5.8
85 1 0 16 28.824 57.649 1.85524 15.7 2.6 2.6 5.8
86 4 2 10 28.992 57.983 1.84546 31.8 5.4 5.2 5.8
87 5 2 6 29.033 58.066 1.84307 41.7 7.0 6.9 5.8
88 4 3 7 29.107 58.214 1.83878 14.5 2.4 2.4 5.8
89 4 1 12 29.161 58.323 1.83566 29.9 5.0 4.9 5.8
90 6 1 4 29.244 58.487 1.83095 13.2 2.2 2.2 5.8
91 3 0 15 29.78 59.561 1.80088 16.8 2.8 2.8 5.8
92 2 0 16 29.875 59.749 1.79574 7.6 1.3 1.3 5.8
93 3 2 13 29.946 59.892 1.79185 7.9 1.3 1.3 5.8
94 4 4 0 30.036 60.073 1.78695 205.3 34.6 33.6 5.8
95 4 2 11 30.235 60.469 1.77633 43.1 7.3 7.0 5.8
96 5 3 1 30.439 60.877 1.76556 12.7 2.1 2.1 5.8
97 4 0 14 30.493 60.986 1.76272 68.4 11.5 11.2 5.8
98 5 3 2 30.613 61.226 1.75647 8.3 1.4 1.4 5.8
99 2 2 15 30.81 61.621 1.74631 9.4 1.6 1.5 5.8
100 7 0 4 31.305 62.609 1.72148 16.8 2.8 2.7 5.8
101 6 2 1 31.456 62.912 1.71405 6.4 1.1 1.0 5.9
102 3 2 14 31.509 63.018 1.71144 29.2 4.9 4.8 5.9
103 6 2 2 31.627 63.254 1.70573 37.5 6.3 6.1 5.9
104 7 0 5 31.818 63.636 1.69656 17.0 2.9 2.8 5.9
105 6 1 8 32.028 64.057 1.68658 6.6 1.1 1.1 5.9
106 4 4 6 32.108 64.215 1.68286 93.9 15.8 15.3 5.9
107 6 2 4 32.306 64.613 1.67362 17.2 2.9 2.8 5.9
108 0 0 18 32.43 64.86 1.66793 15.1 2.5 2.5 5.9
109 6 2 5 32.811 65.622 1.6507 29.7 5.0 4.8 5.9
110 4 2 13 32.97 65.941 1.64361 22.2 3.7 3.6 5.9
111 1 1 18 33.413 66.827 1.6243 20.0 3.4 3.2 5.9
112 7 1 3 33.555 67.11 1.61824 13.0 2.2 2.1 5.9
113 4 1 15 33.791 67.583 1.60824 12.2 2.0 2.0 5.9
114 4 0 16 33.879 67.758 1.60457 80.5 13.6 13.0 5.9
115 6 1 10 34.032 68.064 1.59824 32.9 5.5 5.3 5.9
116 6 2 7 34.137 68.275 1.59389 12.1 2.0 2.0 5.9
117 6 0 12 34.187 68.374 1.59186 11.9 2.0 1.9 5.9
118 4 2 14 34.458 68.915 1.58089 22.1 3.7 3.6 5.9
119 3 2 16 34.842 69.684 1.56561 50.2 8.5 8.1 5.9
120 6 3 0 34.991 69.983 1.55978 15.2 2.6 2.4 5.9
121 7 1 6 35.03 70.06 1.55827 7.9 1.3 1.3 5.9
122 6 1 11 35.174 70.349 1.5527 16.5 2.8 2.7 5.9
123 5 4 4 35.22 70.441 1.55093 16.2 2.7 2.6 5.9
124 8 0 1 35.363 70.726 1.54549 10.8 1.8 1.7 5.9
125 5 1 14 35.413 70.826 1.54358 39.2 6.6 6.3 5.9
126 6 3 3 35.477 70.954 1.54117 10.2 1.7 1.6 5.9
127 8 0 2 35.524 71.049 1.53939 25.7 4.3 4.1 5.9
128 4 3 13 35.858 71.716 1.52695 12.8 2.1 2.0 5.9
129 8 0 4 36.167 72.335 1.51566 16.4 2.8 2.6 5.9
130 2 2 18 36.285 72.569 1.51143 14.2 2.4 2.3 6.0
131 7 2 2 36.468 72.936 1.50488 9.7 1.6 1.6 6.0
132 5 0 16 36.734 73.468 1.49551 23.5 4.0 3.8 6.0
133 6 2 10 36.881 73.763 1.49037 24.1 4.1 3.9 6.0
134 6 3 6 36.918 73.836 1.48911 13.3 2.2 2.1 6.0
135 5 4 7 36.983 73.967 1.48684 7.2 1.2 1.2 6.0
136 5 3 11 37.059 74.118 1.48424 25.5 4.3 4.1 6.0
137 4 3 14 37.293 74.586 1.47627 13.0 2.2 2.1 6.0
138 7 1 9 37.431 74.862 1.47163 11.2 1.9 1.8 6.0
139 7 2 5 37.579 75.157 1.46669 6.5 1.1 1.0 6.0
140 4 2 16 37.665 75.331 1.46381 27.2 4.6 4.3 6.0
141 4 4 12 37.96 75.921 1.45413 32.3 5.4 5.2 6.0
142 8 1 1 38.171 76.342 1.44733 7.9 1.3 1.3 6.0
143 6 0 15 38.506 77.012 1.43666 8.6 1.4 1.4 6.0
144 3 1 19 38.545 77.089 1.43545 7.2 1.2 1.1 6.0
145 8 0 8 38.697 77.394 1.43068 25.5 4.3 4.0 6.0
146 2 1 20 38.738 77.477 1.42939 33.6 5.7 5.3 6.0
147 6 4 1 39.091 78.182 1.41854 19.2 3.2 3.0 6.0
148 6 4 2 39.247 78.493 1.41381 23.3 3.9 3.7 6.0
149 8 1 5 39.421 78.841 1.40858 52.2 8.8 8.3 6.0
150 7 0 13 39.569 79.138 1.40416 6.1 1.0 1.0 6.0
151 6 4 4 39.868 79.736 1.39537 6.6 1.1 1.0 6.0
152 7 3 1 40.005 80.009 1.3914 8.4 1.4 1.3 6.0
153 4 3 16 40.417 80.835 1.37959 10.2 1.7 1.6 6.1
154 8 0 10 40.561 81.121 1.37556 54.4 9.2 8.6 6.1
155 5 5 6 40.596 81.192 1.37456 77.6 13.1 12.2 6.1
156 8 1 7 40.66 81.32 1.37278 7.1 1.2 1.1 6.1
157 5 3 14 40.961 81.922 1.36445 9.6 1.6 1.5 6.1
158 4 0 20 41.471 82.942 1.35066 107.8 18.1 16.9 6.1
159 6 4 7 41.565 83.131 1.34814 11.7 2.0 1.8 6.1
160 6 2 14 41.865 83.731 1.34025 21.9 3.7 3.4 6.1
161 8 2 3 41.926 83.852 1.33867 12.9 2.2 2.0 6.1
162 5 0 19 42.183 84.367 1.33202 20.4 3.4 3.2 6.1
163 6 4 8 42.333 84.665 1.32821 9.4 1.6 1.5 6.1
164 2 2 21 42.365 84.73 1.32739 8.9 1.5 1.4 6.1
165 7 3 7 42.468 84.935 1.32479 6.0 1.0 0.9 6.1
166 2 1 22 43.058 86.117 1.3101 6.9 1.2 1.1 6.1
167 8 1 10 43.269 86.538 1.30497 6.5 1.1 1.0 6.1
168 8 2 6 43.304 86.608 1.30412 9.6 1.6 1.5 6.1
169 6 0 18 43.596 87.191 1.29714 22.8 3.8 3.5 6.2
170 9 1 2 43.771 87.542 1.29299 18.2 3.1 2.8 6.2
171 8 0 13 44.087 88.175 1.2856 6.0 1.0 0.9 6.2
172 6 4 10 44.167 88.334 1.28375 12.7 2.1 2.0 6.2
173 7 4 3 44.624 89.247 1.27335 19.7 3.3 3.0 6.2
174 3 1 22 44.854 89.709 1.26819 15.0 2.5 2.3 6.2
175 6 2 16 44.923 89.846 1.26666 10.3 1.7 1.6 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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