Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
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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DANSITE-(FE)
1
Na(21)Fe++[SO(4)](10)Cl(3)
Cubic I 4(-)3d Z = 4
I4(-)3d
5 .9 .13
Ref.Str.:
Demartin F., Campostrini I., Castellano C., Gramaccioli C.M., Russo M.
(2012) * Mineral. Mag., 76, 2773-2783
R: from volcanic fumaroles
La Fossa crater, Vulcano, Aeolian Islands, Italy.
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 15.882 alpha = 90.0
b = 15.882 beta = 90.0
c = 15.882 gamma = 90.0
Unit cell volume (cub. angs.) = 4006.04
Molar volume ( cub.cm/mol.) = 603.25
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.881 0.3744 0.8483 0.0 Na = 1.00
2 0.0 0.25 0.0429 0.0 Na = 1.00
3 0.0803 0.5803 0.9197 0.0 Na = 0.87, Fe = 0.13
4 0.0185 0.5 0.75 0.0 S = 1.00
5 0.961 0.461 0.039 0.0 S = 1.00
6 0.9661 0.4264 0.7333 0.0 O = 1.00
7 0.0723 0.5166 0.6769 0.0 O = 1.00
8 0.9138 0.4754 0.9636 0.0 O = 1.00
9 0.9088 0.4088 0.0912 0.0 O = 1.00
10 0.0 0.25 0.875 0.0 Cl = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.881 0.3744 0.8483
2 2 0.0 0.25 0.0429
3 3 0.0803 0.5803 0.9197
4 4 0.0185 0.5 0.75
5 5 0.961 0.461 0.039
6 6 0.9661 0.4264 0.7333
7 7 0.0723 0.5166 0.6769
8 8 0.9138 0.4754 0.9636
9 9 0.9088 0.4088 0.0912
10 10 0.0 0.25 0.875
11 1 0.619 0.6256 0.3483
12 2 0.5 0.75 0.5429
13 3 0.4197 0.4197 0.4197
14 4 0.4815 0.5 0.25
15 5 0.539 0.539 0.539
16 6 0.5339 0.5736 0.2333
17 7 0.4277 0.4834 0.1769
18 8 0.5862 0.5246 0.4636
19 9 0.5912 0.5912 0.5912
20 10 0.5 0.75 0.375
21 1 0.119 0.8744 0.6517
22 2 0.0 0.75 0.4571
23 3 0.9197 0.0803 0.5803
24 4 0.9815 0.0 0.75
25 5 0.039 0.961 0.461
26 6 0.0339 0.9264 0.7667
27 7 0.9277 0.0166 0.8231
28 8 0.0862 0.9754 0.5364
29 9 0.0912 0.9088 0.4088
30 10 0.0 0.75 0.625
31 1 0.381 0.1256 0.1517
32 2 0.5 0.25 0.9571
33 3 0.5803 0.9197 0.0803
34 4 0.5185 0.0 0.25
35 5 0.461 0.039 0.961
36 6 0.4661 0.0736 0.2667
37 7 0.5723 0.9834 0.3231
38 8 0.4138 0.0246 0.0364
39 9 0.4088 0.0912 0.9088
40 10 0.5 0.25 0.125
41 1 0.119 0.1256 0.8483
42 3 0.9197 0.9197 0.9197
43 5 0.039 0.039 0.039
44 6 0.0339 0.0736 0.7333
45 7 0.9277 0.9834 0.6769
46 8 0.0862 0.0246 0.9636
47 9 0.0912 0.0912 0.0912
48 1 0.381 0.8744 0.3483
49 3 0.5803 0.0803 0.4197
50 5 0.461 0.961 0.539
51 6 0.4661 0.9264 0.2333
52 7 0.5723 0.0166 0.1769
53 8 0.4138 0.9754 0.4636
54 9 0.4088 0.9088 0.5912
55 1 0.881 0.6256 0.6517
56 3 0.0803 0.4197 0.5803
57 5 0.961 0.539 0.461
58 6 0.9661 0.5736 0.7667
59 7 0.0723 0.4834 0.8231
60 8 0.9138 0.5246 0.5364
61 9 0.9088 0.5912 0.4088
62 1 0.619 0.3744 0.1517
63 3 0.4197 0.5803 0.0803
64 5 0.539 0.461 0.961
65 6 0.5339 0.4264 0.2667
66 7 0.4277 0.5166 0.3231
67 8 0.5862 0.4754 0.0364
68 9 0.5912 0.4088 0.9088
69 1 0.6244 0.131 0.0983
70 2 0.5 0.25 0.2929
71 3 0.8303 0.3303 0.1697
72 4 0.75 0.2685 0.0
73 5 0.711 0.211 0.289
74 6 0.6764 0.2161 0.9833
75 7 0.7666 0.3223 0.9269
76 8 0.7254 0.1638 0.2136
77 9 0.6588 0.1588 0.3412
78 1 0.8756 0.869 0.5983
79 2 0.0 0.75 0.7929
80 3 0.6697 0.6697 0.6697
81 4 0.75 0.7315 0.5
82 5 0.789 0.789 0.789
83 6 0.8236 0.7839 0.4833
84 7 0.7334 0.6777 0.4269
85 8 0.7746 0.8362 0.7136
86 9 0.8412 0.8412 0.8412
87 1 0.1244 0.369 0.9017
88 2 0.0 0.25 0.7071
89 3 0.3303 0.1697 0.8303
90 4 0.25 0.2315 0.0
91 5 0.211 0.289 0.711
92 6 0.1764 0.2839 0.0167
93 7 0.2666 0.1777 0.0731
94 8 0.2254 0.3362 0.7864
95 9 0.1588 0.3412 0.6588
96 1 0.3756 0.631 0.4017
97 2 0.5 0.75 0.2071
98 3 0.1697 0.8303 0.3303
99 4 0.25 0.7685 0.5
100 5 0.289 0.711 0.211
101 6 0.3236 0.7161 0.5167
102 7 0.2334 0.8223 0.5731
103 8 0.2746 0.6638 0.2864
104 9 0.3412 0.6588 0.1588
105 1 0.3756 0.369 0.0983
106 3 0.1697 0.1697 0.1697
107 5 0.289 0.289 0.289
108 6 0.3236 0.2839 0.9833
109 7 0.2334 0.1777 0.9269
110 8 0.2746 0.3362 0.2136
111 9 0.3412 0.3412 0.3412
112 1 0.1244 0.631 0.5983
113 3 0.3303 0.8303 0.6697
114 5 0.211 0.711 0.789
115 6 0.1764 0.7161 0.4833
116 7 0.2666 0.8223 0.4269
117 8 0.2254 0.6638 0.7136
118 9 0.1588 0.6588 0.8412
119 1 0.8756 0.131 0.9017
120 3 0.6697 0.3303 0.8303
121 5 0.789 0.211 0.711
122 6 0.8236 0.2161 0.0167
123 7 0.7334 0.3223 0.0731
124 8 0.7746 0.1638 0.7864
125 9 0.8412 0.1588 0.6588
126 1 0.6244 0.869 0.4017
127 3 0.8303 0.6697 0.3303
128 5 0.711 0.789 0.211
129 6 0.6764 0.7839 0.5167
130 7 0.7666 0.6777 0.5731
131 8 0.7254 0.8362 0.2864
132 9 0.6588 0.8412 0.1588
133 1 0.3744 0.8483 0.881
134 1 0.8483 0.881 0.3744
135 2 0.25 0.0429 0.0
136 2 0.0429 0.0 0.25
137 4 0.5 0.75 0.0185
138 4 0.75 0.0185 0.5
139 6 0.4264 0.7333 0.9661
140 6 0.7333 0.9661 0.4264
141 7 0.5166 0.6769 0.0723
142 7 0.6769 0.0723 0.5166
143 8 0.4754 0.9636 0.9138
144 8 0.9636 0.9138 0.4754
145 10 0.25 0.875 0.0
146 10 0.875 0.0 0.25
147 1 0.6256 0.3483 0.619
148 1 0.3483 0.619 0.6256
149 2 0.75 0.5429 0.5
150 2 0.5429 0.5 0.75
151 4 0.5 0.25 0.4815
152 4 0.25 0.4815 0.5
153 6 0.5736 0.2333 0.5339
154 6 0.2333 0.5339 0.5736
155 7 0.4834 0.1769 0.4277
156 7 0.1769 0.4277 0.4834
157 8 0.5246 0.4636 0.5862
158 8 0.4636 0.5862 0.5246
159 10 0.75 0.375 0.5
160 10 0.375 0.5 0.75
161 1 0.8744 0.6517 0.119
162 1 0.6517 0.119 0.8744
163 2 0.75 0.4571 0.0
164 2 0.4571 0.0 0.75
165 4 0.0 0.75 0.9815
166 4 0.75 0.9815 0.0
167 6 0.9264 0.7667 0.0339
168 6 0.7667 0.0339 0.9264
169 7 0.0166 0.8231 0.9277
170 7 0.8231 0.9277 0.0166
171 8 0.9754 0.5364 0.0862
172 8 0.5364 0.0862 0.9754
173 10 0.75 0.625 0.0
174 10 0.625 0.0 0.75
175 1 0.1256 0.1517 0.381
176 1 0.1517 0.381 0.1256
177 2 0.25 0.9571 0.5
178 2 0.9571 0.5 0.25
179 4 0.0 0.25 0.5185
180 4 0.25 0.5185 0.0
181 6 0.0736 0.2667 0.4661
182 6 0.2667 0.4661 0.0736
183 7 0.9834 0.3231 0.5723
184 7 0.3231 0.5723 0.9834
185 8 0.0246 0.0364 0.4138
186 8 0.0364 0.4138 0.0246
187 10 0.25 0.125 0.5
188 10 0.125 0.5 0.25
189 1 0.1256 0.8483 0.119
190 1 0.8483 0.119 0.1256
191 6 0.0736 0.7333 0.0339
192 6 0.7333 0.0339 0.0736
193 7 0.9834 0.6769 0.9277
194 7 0.6769 0.9277 0.9834
195 8 0.0246 0.9636 0.0862
196 8 0.9636 0.0862 0.0246
197 1 0.8744 0.3483 0.381
198 1 0.3483 0.381 0.8744
199 6 0.9264 0.2333 0.4661
200 6 0.2333 0.4661 0.9264
201 7 0.0166 0.1769 0.5723
202 7 0.1769 0.5723 0.0166
203 8 0.9754 0.4636 0.4138
204 8 0.4636 0.4138 0.9754
205 1 0.6256 0.6517 0.881
206 1 0.6517 0.881 0.6256
207 6 0.5736 0.7667 0.9661
208 6 0.7667 0.9661 0.5736
209 7 0.4834 0.8231 0.0723
210 7 0.8231 0.0723 0.4834
211 8 0.5246 0.5364 0.9138
212 8 0.5364 0.9138 0.5246
213 1 0.3744 0.1517 0.619
214 1 0.1517 0.619 0.3744
215 6 0.4264 0.2667 0.5339
216 6 0.2667 0.5339 0.4264
217 7 0.5166 0.3231 0.4277
218 7 0.3231 0.4277 0.5166
219 8 0.4754 0.0364 0.5862
220 8 0.0364 0.5862 0.4754
221 1 0.131 0.0983 0.6244
222 1 0.0983 0.6244 0.131
223 2 0.25 0.2929 0.5
224 2 0.2929 0.5 0.25
225 4 0.2685 0.0 0.75
226 4 0.0 0.75 0.2685
227 6 0.2161 0.9833 0.6764
228 6 0.9833 0.6764 0.2161
229 7 0.3223 0.9269 0.7666
230 7 0.9269 0.7666 0.3223
231 8 0.1638 0.2136 0.7254
232 8 0.2136 0.7254 0.1638
233 1 0.869 0.5983 0.8756
234 1 0.5983 0.8756 0.869
235 2 0.75 0.7929 0.0
236 2 0.7929 0.0 0.75
237 4 0.7315 0.5 0.75
238 4 0.5 0.75 0.7315
239 6 0.7839 0.4833 0.8236
240 6 0.4833 0.8236 0.7839
241 7 0.6777 0.4269 0.7334
242 7 0.4269 0.7334 0.6777
243 8 0.8362 0.7136 0.7746
244 8 0.7136 0.7746 0.8362
245 1 0.369 0.9017 0.1244
246 1 0.9017 0.1244 0.369
247 2 0.25 0.7071 0.0
248 2 0.7071 0.0 0.25
249 4 0.2315 0.0 0.25
250 4 0.0 0.25 0.2315
251 6 0.2839 0.0167 0.1764
252 6 0.0167 0.1764 0.2839
253 7 0.1777 0.0731 0.2666
254 7 0.0731 0.2666 0.1777
255 8 0.3362 0.7864 0.2254
256 8 0.7864 0.2254 0.3362
257 1 0.631 0.4017 0.3756
258 1 0.4017 0.3756 0.631
259 2 0.75 0.2071 0.5
260 2 0.2071 0.5 0.75
261 4 0.7685 0.5 0.25
262 4 0.5 0.25 0.7685
263 6 0.7161 0.5167 0.3236
264 6 0.5167 0.3236 0.7161
265 7 0.8223 0.5731 0.2334
266 7 0.5731 0.2334 0.8223
267 8 0.6638 0.2864 0.2746
268 8 0.2864 0.2746 0.6638
269 1 0.369 0.0983 0.3756
270 1 0.0983 0.3756 0.369
271 6 0.2839 0.9833 0.3236
272 6 0.9833 0.3236 0.2839
273 7 0.1777 0.9269 0.2334
274 7 0.9269 0.2334 0.1777
275 8 0.3362 0.2136 0.2746
276 8 0.2136 0.2746 0.3362
277 1 0.631 0.5983 0.1244
278 1 0.5983 0.1244 0.631
279 6 0.7161 0.4833 0.1764
280 6 0.4833 0.1764 0.7161
281 7 0.8223 0.4269 0.2666
282 7 0.4269 0.2666 0.8223
283 8 0.6638 0.7136 0.2254
284 8 0.7136 0.2254 0.6638
285 1 0.131 0.9017 0.8756
286 1 0.9017 0.8756 0.131
287 6 0.2161 0.0167 0.8236
288 6 0.0167 0.8236 0.2161
289 7 0.3223 0.0731 0.7334
290 7 0.0731 0.7334 0.3223
291 8 0.1638 0.7864 0.7746
292 8 0.7864 0.7746 0.1638
293 1 0.869 0.4017 0.6244
294 1 0.4017 0.6244 0.869
295 6 0.7839 0.5167 0.6764
296 6 0.5167 0.6764 0.7839
297 7 0.6777 0.5731 0.7666
298 7 0.5731 0.7666 0.6777
299 8 0.8362 0.2864 0.7254
300 8 0.2864 0.7254 0.8362
X-ray density (g/cm cub.) = 2.64
MU (1/cm) = 160.135 Mass attenuation coefficient (cm**2/g) = 60.771
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 3.348 6
2.4186 6
2.4885 8
2.7669 10
2.3545 7
2.3494 6
2.5045 8
2 Na 3.348 9
3.0078 9
2.6671 10
3.0078 9
2.8824 6
2.8824 6
2.6801 8
2.6801 8
2.4486 7
2.4486 7
3 Na ,Fe 3.348 10
3.2023 8
3.0335 6
2.1765 7
2.1613 9
3.2023 8
3.2023 8
3.0335 6
2.1765 7
3.0335 6
2.1765 7
4 S 2.52 4
1.46 6
1.4651 7
1.46 6
1.4651 7
5 S 2.52 4
1.4313 8
1.4357 9
1.4313 8
1.4313 8
6 O 3.804 10
2.3873 7
3.6337 10
2.3988 6
2.3882 7
3.5917 8
3.5494 9
3.0493 7
3.3542 6
3.3542 6
3.0347 8
7 O 3.804 11
2.3873 6
2.3882 6
2.3802 7
3.3673 8
3.1193 9
3.4222 8
3.7146 9
3.0493 6
3.7676 7
3.7676 7
3.4348 8
8 O 3.804 9
2.2863 9
3.5917 6
3.3673 7
3.4222 7
2.3857 8
3.5703 10
2.3857 8
3.4348 7
3.0347 6
9 O 3.804 12
2.2863 8
3.7146 7
3.5494 6
3.1193 7
2.2863 8
2.2863 8
3.7146 7
3.7146 7
3.5494 6
3.1194 7
3.5494 6
3.1193 7
10 Cl 4.344 16
3.6337 6
4.0824 8
3.968 7
3.6337 6
4.0824 8
3.968 7
3.968 7
3.6337 6
4.0824 8
3.968 7
3.6337 6
4.0824 8
3.5703 8
3.5703 8
3.5703 8
3.5703 8
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 1 0 4.568 9.137 0.045 312.29 12 0.0 0.0
2 2 0 0 6.467 12.935 0.063 154.67 6 0.0 0.0
3 1 1 2 7.929 15.859 0.077 102.14 24 92.0 129.2
4 2 2 0 9.166 18.332 0.089 75.89 12 43.0 10.5
5 3 1 0 10.259 20.518 0.1 60.14 24 29.1 7.6
6 3 2 1 12.165 24.33 0.118 42.16 48 116.6 171.3
7 4 0 0 13.019 26.038 0.126 36.55 6 388.3 206.0
8 3 3 0 13.824 27.648 0.134 32.19 12 0.0 0.0
9 4 2 0 14.588 29.176 0.141 28.71 24 135.0 78.2
10 3 3 2 15.317 30.634 0.148 25.86 24 415.5 667.5
11 2 2 4 16.016 32.032 0.154 23.49 24 38.7 5.3
12 4 3 1 16.689 33.377 0.161 21.49 48 209.4 281.8
13 5 1 0 16.689 33.377 0.161 21.49 24 126.6 51.5
14 5 2 1 17.967 35.934 0.172 18.29 48 143.7 113.0
15 4 4 0 18.578 37.155 0.178 17.0 12 776.2 765.7
16 5 3 0 19.171 38.343 0.184 15.86 24 137.8 45.0
17 6 0 0 19.75 39.5 0.189 14.85 6 0.0 0.0
18 1 1 6 20.315 40.629 0.194 13.94 24 269.9 151.8
19 5 3 2 20.315 40.629 0.194 13.94 48 185.3 143.2
20 6 2 0 20.867 41.733 0.199 13.13 24 337.9 224.2
21 5 4 1 21.407 42.814 0.204 12.4 48 160.7 95.8
22 6 3 1 22.456 44.912 0.214 11.14 48 109.0 39.6
23 4 4 4 22.966 45.933 0.218 10.58 8 334.6 59.1
24 5 4 3 23.468 46.936 0.223 10.08 48 156.6 73.9
25 5 5 0 23.468 46.936 0.223 10.08 12 0.0 0.0
26 7 1 0 23.468 46.936 0.223 10.08 24 98.0 14.5
27 6 4 0 23.962 47.923 0.227 9.61 24 0.7 0.0
28 3 3 6 24.447 48.895 0.231 9.19 24 128.1 22.5
29 5 5 2 24.447 48.895 0.231 9.19 24 260.9 93.5
30 7 2 1 24.447 48.895 0.231 9.19 48 106.6 31.2
31 6 4 2 24.926 49.853 0.236 8.79 48 67.4 11.9
32 7 3 0 25.399 50.797 0.24 8.42 24 87.2 9.6
33 6 5 1 26.325 52.649 0.248 7.76 48 169.0 66.3
34 7 3 2 26.325 52.649 0.248 7.76 48 169.8 66.9
35 8 0 0 26.779 53.558 0.252 7.46 6 397.2 44.0
36 7 4 1 27.228 54.457 0.256 7.19 48 40.3 3.5
37 8 2 0 27.673 55.345 0.26 6.93 24 131.5 17.9
38 6 5 3 28.112 56.224 0.263 6.68 48 272.8 148.8
39 2 2 8 28.547 57.095 0.267 6.46 24 93.4 8.4
40 6 6 0 28.547 57.095 0.267 6.46 12 83.0 3.3
41 7 4 3 28.978 57.956 0.271 6.24 48 182.8 62.4
42 7 5 0 28.978 57.956 0.271 6.24 24 160.3 24.0
43 8 3 1 28.978 57.956 0.271 6.24 48 13.6 0.3
44 7 5 2 29.828 59.656 0.278 5.85 48 88.6 13.7
45 8 4 0 30.247 60.495 0.282 5.67 24 47.6 1.9
46 9 1 0 30.663 61.326 0.285 5.5 24 195.1 31.3
47 8 4 2 31.076 62.152 0.289 5.34 48 32.0 1.6
48 5 5 6 31.485 62.971 0.292 5.19 24 394.7 120.8
49 7 6 1 31.485 62.971 0.292 5.19 48 211.2 69.2
50 9 2 1 31.485 62.971 0.292 5.19 48 255.0 100.8
51 6 6 4 31.892 63.784 0.295 5.04 24 272.8 56.1
52 7 5 4 32.296 64.592 0.299 4.91 48 30.4 1.4
53 8 5 1 32.296 64.592 0.299 4.91 48 103.2 15.6
54 9 3 0 32.296 64.592 0.299 4.91 24 128.5 12.1
55 7 6 3 33.095 66.191 0.305 4.66 48 163.3 37.2
56 9 3 2 33.095 66.191 0.305 4.66 48 111.5 17.3
57 4 4 8 33.491 66.983 0.308 4.54 24 287.7 56.2
58 7 7 0 33.885 67.77 0.312 4.43 12 0.0 0.0
59 8 5 3 33.885 67.77 0.312 4.43 48 185.3 45.5
60 9 4 1 33.885 67.77 0.312 4.43 48 99.7 13.2
61 8 6 0 34.277 68.554 0.315 4.33 24 64.1 2.7
62 10 0 0 34.277 68.554 0.315 4.33 6 0.0 0.0
63 1 1 10 34.666 69.332 0.318 4.23 24 81.9 4.2
64 7 7 2 34.666 69.332 0.318 4.23 24 158.3 15.8
65 8 6 2 35.054 70.107 0.321 4.13 48 145.6 26.2
66 10 2 0 35.054 70.107 0.321 4.13 24 224.1 31.0
67 9 4 3 35.439 70.879 0.324 4.04 48 64.4 5.0
68 9 5 0 35.439 70.879 0.324 4.04 24 36.5 0.8
69 7 6 5 36.205 72.411 0.33 3.88 48 170.4 33.7
70 9 5 2 36.205 72.411 0.33 3.88 48 182.0 38.4
71 10 3 1 36.205 72.411 0.33 3.88 48 42.0 2.0
72 8 7 1 36.965 73.929 0.336 3.73 48 192.3 41.2
73 8 6 4 37.342 74.685 0.339 3.66 48 70.5 5.4
74 10 4 0 37.342 74.685 0.339 3.66 24 125.4 8.6
75 3 3 10 37.718 75.437 0.342 3.59 24 99.9 5.4
76 9 6 1 37.718 75.437 0.342 3.59 48 201.7 43.7
77 10 4 2 38.093 76.187 0.345 3.53 48 154.3 25.1
78 8 7 3 38.467 76.934 0.348 3.47 48 55.1 3.2
79 9 5 4 38.467 76.934 0.348 3.47 48 118.3 14.5
80 11 1 0 38.467 76.934 0.348 3.47 24 94.2 4.6
81 9 6 3 39.211 78.422 0.353 3.36 48 106.6 11.4
82 10 5 1 39.211 78.422 0.353 3.36 48 181.8 33.2
83 11 2 1 39.211 78.422 0.353 3.36 48 127.4 16.3
84 8 8 0 39.582 79.163 0.356 3.31 12 388.1 37.3
85 9 7 0 39.951 79.903 0.359 3.26 24 167.8 13.7
86 11 3 0 39.951 79.903 0.359 3.26 24 16.3 0.1
87 7 7 6 40.688 81.376 0.364 3.17 24 95.5 4.3
88 9 7 2 40.688 81.376 0.364 3.17 48 52.2 2.6
89 10 5 3 40.688 81.376 0.364 3.17 48 139.2 18.4
90 11 3 2 40.688 81.376 0.364 3.17 48 83.4 6.6
91 6 6 8 41.055 82.111 0.367 3.13 24 189.8 16.9
92 10 6 0 41.055 82.111 0.367 3.13 24 167.1 13.1
93 8 7 5 41.422 82.844 0.37 3.09 48 56.3 2.9
94 11 4 1 41.422 82.844 0.37 3.09 48 179.6 29.8
95 10 6 2 41.788 83.576 0.373 3.06 48 5.4 0.0
96 9 6 5 42.154 84.307 0.375 3.02 48 58.7 3.1
97 8 8 4 42.519 85.037 0.378 2.99 24 128.2 7.4
98 12 0 0 42.519 85.037 0.378 2.99 6 194.8 4.2
99 9 7 4 42.883 85.766 0.38 2.96 48 59.4 3.1
100 9 8 1 42.883 85.766 0.38 2.96 48 89.4 7.1
101 11 4 3 42.883 85.766 0.38 2.96 48 29.9 0.8
102 11 5 0 42.883 85.766 0.38 2.96 24 99.3 4.4
103 12 2 0 43.248 86.495 0.383 2.94 24 250.2 27.5
104 5 5 10 43.612 87.223 0.386 2.91 24 233.5 23.7
105 10 7 1 43.612 87.223 0.386 2.91 48 66.0 3.8
106 11 5 2 43.612 87.223 0.386 2.91 48 230.1 46.1
107 2 2 12 43.975 87.951 0.388 2.89 24 86.5 3.2
108 10 6 4 43.975 87.951 0.388 2.89 48 52.0 2.3
109 9 8 3 44.339 88.678 0.391 2.86 48 52.7 2.4
110 12 3 1 44.339 88.678 0.391 2.86 48 162.3 22.6
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 1 2 7.929 15.859 6.4838 129.2 16.9 17.2 5.6
2 2 2 0 9.166 18.332 5.61514 10.5 1.4 1.4 5.6
3 3 2 1 12.165 24.33 4.24464 171.3 22.4 22.6 5.6
4 4 0 0 13.019 26.038 3.9705 206.0 26.9 27.2 5.6
5 4 2 0 14.588 29.176 3.55132 78.2 10.2 10.3 5.6
6 3 3 2 15.317 30.634 3.38605 667.5 87.2 87.7 5.6
7 4 3 1 16.689 33.377 3.11472 333.2 43.5 43.7 5.7
8 5 2 1 17.967 35.934 2.89964 113.0 14.8 14.8 5.7
9 4 4 0 18.578 37.155 2.80757 765.7 100.0 100.0 5.7
10 5 3 0 19.171 38.343 2.72374 45.0 5.9 5.9 5.7
11 1 1 6 20.315 40.629 2.5764 295.0 38.5 38.4 5.7
12 6 2 0 20.867 41.733 2.51116 224.2 29.3 29.1 5.7
13 5 4 1 21.407 42.814 2.45065 95.8 12.5 12.4 5.7
14 6 3 1 22.456 44.912 2.34167 39.6 5.2 5.1 5.7
15 4 4 4 22.966 45.933 2.29237 59.1 7.7 7.6 5.7
16 5 4 3 23.468 46.936 2.24605 88.4 11.5 11.4 5.7
17 7 2 1 24.447 48.895 2.16127 147.3 19.2 19.0 5.7
18 6 4 2 24.926 49.853 2.12232 11.9 1.6 1.5 5.7
19 7 3 0 25.399 50.797 2.08541 9.6 1.3 1.2 5.8
20 7 3 2 26.325 52.649 2.01702 133.3 17.4 17.1 5.8
21 8 0 0 26.779 53.558 1.98525 44.0 5.8 5.6 5.8
22 8 2 0 27.673 55.345 1.92598 17.9 2.3 2.3 5.8
23 6 5 3 28.112 56.224 1.89826 148.8 19.4 19.0 5.8
24 2 2 8 28.547 57.095 1.87171 11.7 1.5 1.5 5.8
25 7 4 3 28.978 57.956 1.84625 86.7 11.3 11.1 5.8
26 7 5 2 29.828 59.656 1.79828 13.7 1.8 1.7 5.8
27 9 1 0 30.663 61.326 1.75387 31.3 4.1 4.0 5.8
28 5 5 6 31.485 62.971 1.7126 290.9 38.0 36.8 5.9
29 6 6 4 31.892 63.784 1.69303 56.1 7.3 7.1 5.9
30 9 3 0 32.296 64.592 1.67411 29.1 3.8 3.7 5.9
31 7 6 3 33.095 66.191 1.6381 54.5 7.1 6.9 5.9
32 4 4 8 33.491 66.983 1.62095 56.2 7.3 7.1 5.9
33 8 5 3 33.885 67.77 1.60432 58.7 7.7 7.4 5.9
34 7 7 2 34.666 69.332 1.57255 20.1 2.6 2.5 5.9
35 10 2 0 35.054 70.107 1.55736 57.2 7.5 7.2 5.9
36 9 5 2 36.205 72.411 1.51429 74.1 9.7 9.2 5.9
37 8 7 1 36.965 73.929 1.48749 41.2 5.4 5.1 6.0
38 10 4 0 37.342 74.685 1.47461 14.0 1.8 1.7 6.0
39 9 6 1 37.718 75.437 1.46206 49.0 6.4 6.1 6.0
40 10 4 2 38.093 76.187 1.44982 25.1 3.3 3.1 6.0
41 11 1 0 38.467 76.934 1.43789 22.3 2.9 2.7 6.0
42 11 2 1 39.211 78.422 1.41488 61.0 8.0 7.5 6.0
43 8 8 0 39.582 79.163 1.40378 37.3 4.9 4.6 6.0
44 9 7 0 39.951 79.903 1.39294 13.9 1.8 1.7 6.0
45 11 3 2 40.688 81.376 1.372 31.9 4.2 3.9 6.1
46 6 6 8 41.055 82.111 1.36187 29.9 3.9 3.7 6.1
47 11 4 1 41.422 82.844 1.35197 32.8 4.3 4.0 6.1
48 8 8 4 42.519 85.037 1.3235 11.6 1.5 1.4 6.1
49 11 5 0 42.883 85.766 1.3144 15.4 2.0 1.9 6.1
50 12 2 0 43.248 86.495 1.30549 27.5 3.6 3.3 6.1
51 11 5 2 43.612 87.223 1.29676 73.6 9.6 8.9 6.2
52 12 3 1 44.339 88.678 1.27981 24.9 3.3 3.0 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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