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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SAKHAITE
3, DF
Ca(3)(Mg,Fe)[BO(3)](1.75)[CO(3)][AlSiO(4)](0.0625)[H(2)O](0.2)(HCl)(0.2)
Cubic * Fd3m Z = 16
R =0.047 NR =210
18 .1 .1906
Ref.Str.:
O.V. Yakubovich, Ya.M. Still, P.G. Gavrilenko, V.S. Urusov (2005)
* Kristallogr., 50, 226-234
Reserv:
from Solongo, Zabaykalie. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.679 alpha = 90.0
b = 14.679 beta = 90.0
c = 14.679 gamma = 90.0
Unit cell volume (cub. angs.) = 3162.93
Molar volume ( cub.cm/mol.) = 119.07
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.5 0.0 0.0 Mg = 0.82, Fe = 0.17
2 0.125 0.3701 0.125 0.0 Ca = 1.00
3 0.25 0.25 0.0 0.0 C = 1.00
4 0.9649 0.2851 0.9649 0.0 B = 0.88, B = 0.0
5 0.9883 0.2617 0.9883 0.0 Si = 0.12, Si = 0.0
6 0.375 0.375 0.875 0.0 Al = 0.12, Al = 0.0
7 0.0059 0.3603 0.0059 0.0 O = 0.88, O = 0.0
8 0.995 0.37 0.995 0.0 O = 0.12, O = 0.0
9 0.2296 0.333 0.0204 0.0 O = 0.5 , O = 0.0
10 0.442 0.308 0.942 0.0 O = 0.12, O = 0.0
11 0.35 0.4 0.85 0.0 O = 0.1 , Cl = 0.1
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.5 0.0
2 2 0.125 0.3701 0.125
3 3 0.25 0.25 0.0
4 4 0.9649 0.2851 0.9649
5 5 0.9883 0.2617 0.9883
6 6 0.375 0.375 0.875
7 7 0.0059 0.3603 0.0059
8 8 0.995 0.37 0.995
9 9 0.2296 0.333 0.0204
10 10 0.442 0.308 0.942
11 11 0.35 0.4 0.85
12 2 0.875 0.6299 0.875
13 3 0.75 0.75 0.0
14 4 0.0351 0.7149 0.0351
15 5 0.0117 0.7383 0.0117
16 6 0.625 0.625 0.125
17 7 0.9941 0.6397 0.9941
18 8 0.005 0.63 0.005
19 9 0.7704 0.667 0.9796
20 10 0.558 0.692 0.058
21 11 0.65 0.6 0.15
22 1 0.0 0.75 0.25
23 1 0.75 0.75 0.5
24 1 0.75 0.5 0.75
25 2 0.1299 0.875 0.375
26 2 0.625 0.8799 0.625
27 2 0.6201 0.375 0.875
28 3 0.25 0.0 0.25
29 3 0.5 0.0 0.5
30 3 0.5 0.25 0.75
31 4 0.2149 0.7149 0.2149
32 4 0.7851 0.9649 0.4649
33 4 0.5351 0.5351 0.7149
34 5 0.2383 0.7383 0.2383
35 5 0.7617 0.9883 0.4883
36 5 0.5117 0.5117 0.7383
37 6 0.125 0.125 0.125
38 6 0.375 0.875 0.375
39 6 0.625 0.125 0.625
40 7 0.1397 0.7559 0.2559
41 7 0.7441 0.8897 0.5059
42 7 0.6103 0.4941 0.7559
43 8 0.13 0.745 0.245
44 8 0.755 0.88 0.495
45 8 0.62 0.505 0.745
46 9 0.167 0.9796 0.2704
47 9 0.5204 0.917 0.5204
48 9 0.583 0.2704 0.7704
49 10 0.192 0.192 0.192
50 10 0.308 0.942 0.442
51 10 0.558 0.058 0.692
52 11 0.1 0.1 0.1
53 11 0.4 0.85 0.35
54 11 0.65 0.15 0.6
55 2 0.8701 0.625 0.125
56 2 0.875 0.6201 0.375
57 2 0.8799 0.625 0.625
58 3 0.75 0.5 0.25
59 3 0.0 0.5 0.5
60 3 0.0 0.75 0.75
61 4 0.7851 0.7851 0.2851
62 4 0.7149 0.5351 0.5351
63 4 0.9649 0.4649 0.7851
64 5 0.7617 0.7617 0.2617
65 5 0.7383 0.5117 0.5117
66 5 0.9883 0.4883 0.7617
67 6 0.875 0.375 0.375
68 6 0.125 0.625 0.625
69 6 0.875 0.875 0.875
70 7 0.8603 0.7441 0.2441
71 7 0.7559 0.6103 0.4941
72 7 0.8897 0.5059 0.7441
73 8 0.87 0.755 0.255
74 8 0.745 0.62 0.505
75 8 0.88 0.495 0.755
76 9 0.833 0.5204 0.2296
77 9 0.9796 0.583 0.4796
78 9 0.917 0.7296 0.7296
79 10 0.808 0.308 0.308
80 10 0.192 0.558 0.558
81 10 0.942 0.942 0.808
82 11 0.9 0.4 0.4
83 11 0.1 0.65 0.65
84 11 0.85 0.85 0.9
85 1 0.0 0.25 0.75
86 1 0.25 0.25 0.5
87 1 0.25 0.5 0.25
88 2 0.1299 0.375 0.875
89 2 0.125 0.3799 0.625
90 2 0.1201 0.375 0.375
91 3 0.25 0.5 0.75
92 3 0.0 0.25 0.25
93 4 0.2149 0.2149 0.7149
94 4 0.2851 0.4649 0.4649
95 4 0.0351 0.5351 0.2149
96 5 0.2383 0.2383 0.7383
97 5 0.2617 0.4883 0.4883
98 5 0.0117 0.5117 0.2383
99 7 0.1397 0.2559 0.7559
100 7 0.2441 0.3897 0.5059
101 7 0.1103 0.4941 0.2559
102 8 0.13 0.245 0.745
103 8 0.255 0.38 0.495
104 8 0.12 0.505 0.245
105 9 0.167 0.4796 0.7704
106 9 0.0204 0.417 0.5204
107 9 0.083 0.2704 0.2704
108 10 0.192 0.692 0.692
109 10 0.808 0.442 0.442
110 10 0.058 0.058 0.192
111 11 0.1 0.6 0.6
112 11 0.9 0.35 0.35
113 11 0.15 0.15 0.1
114 2 0.8701 0.125 0.625
115 2 0.375 0.1201 0.375
116 2 0.3799 0.625 0.125
117 3 0.75 0.0 0.75
118 3 0.5 0.75 0.25
119 4 0.7851 0.2851 0.7851
120 4 0.2149 0.0351 0.5351
121 4 0.4649 0.4649 0.2851
122 5 0.7617 0.2617 0.7617
123 5 0.2383 0.0117 0.5117
124 5 0.4883 0.4883 0.2617
125 7 0.8603 0.2441 0.7441
126 7 0.2559 0.1103 0.4941
127 7 0.3897 0.5059 0.2441
128 8 0.87 0.255 0.755
129 8 0.245 0.12 0.505
130 8 0.38 0.495 0.255
131 9 0.833 0.0204 0.7296
132 9 0.4796 0.083 0.4796
133 9 0.417 0.7296 0.2296
134 10 0.808 0.808 0.808
135 10 0.692 0.058 0.558
136 10 0.442 0.942 0.308
137 11 0.9 0.9 0.9
138 11 0.6 0.15 0.65
139 11 0.35 0.85 0.4
140 1 0.75 0.25 0.0
141 1 0.25 0.0 0.75
142 1 0.5 0.5 0.5
143 1 0.75 0.0 0.25
144 1 0.5 0.0 0.0
145 1 0.5 0.75 0.75
146 1 0.0 0.0 0.5
147 1 0.5 0.25 0.25
148 1 0.25 0.75 0.0
149 2 0.625 0.3799 0.125
150 2 0.1201 0.875 0.875
151 2 0.625 0.3701 0.625
152 2 0.6201 0.875 0.375
153 2 0.625 0.8701 0.125
154 2 0.6299 0.875 0.875
155 2 0.125 0.8701 0.625
156 2 0.6299 0.375 0.375
157 2 0.125 0.8799 0.125
158 3 0.5 0.5 0.0
159 3 0.75 0.25 0.5
160 3 0.25 0.75 0.5
161 3 0.0 0.0 0.0
162 4 0.7851 0.4649 0.9649
163 4 0.0351 0.0351 0.7149
164 4 0.4649 0.2851 0.4649
165 4 0.5351 0.0351 0.2149
166 4 0.4649 0.7851 0.9649
167 4 0.7149 0.7149 0.7149
168 4 0.9649 0.7851 0.4649
169 4 0.7149 0.2149 0.2149
170 4 0.2851 0.9649 0.9649
171 5 0.7617 0.4883 0.9883
172 5 0.0117 0.0117 0.7383
173 5 0.4883 0.2617 0.4883
174 5 0.5117 0.0117 0.2383
175 5 0.4883 0.7617 0.9883
176 5 0.7383 0.7383 0.7383
177 5 0.9883 0.7617 0.4883
178 5 0.7383 0.2383 0.2383
179 5 0.2617 0.9883 0.9883
180 7 0.7441 0.3897 0.0059
181 7 0.1103 0.9941 0.7559
182 7 0.5059 0.3603 0.5059
183 7 0.6103 0.9941 0.2559
184 7 0.5059 0.8603 0.0059
185 7 0.6397 0.7559 0.7559
186 7 0.0059 0.8603 0.5059
187 7 0.6397 0.2559 0.2559
188 7 0.2441 0.8897 0.0059
189 8 0.755 0.38 0.995
190 8 0.12 0.005 0.745
191 8 0.495 0.37 0.495
192 8 0.62 0.005 0.245
193 8 0.495 0.87 0.995
194 8 0.63 0.745 0.745
195 8 0.995 0.87 0.495
196 8 0.63 0.245 0.245
197 8 0.255 0.88 0.995
198 9 0.5204 0.417 0.0204
199 9 0.083 0.7704 0.7704
200 9 0.7296 0.333 0.5204
201 9 0.583 0.7704 0.2704
202 9 0.7296 0.833 0.0204
203 9 0.667 0.9796 0.7704
204 9 0.2296 0.833 0.5204
205 9 0.667 0.4796 0.2704
206 9 0.0204 0.917 0.0204
207 10 0.308 0.442 0.942
208 10 0.058 0.558 0.692
209 10 0.942 0.308 0.442
210 10 0.558 0.558 0.192
211 10 0.942 0.808 0.942
212 10 0.692 0.192 0.692
213 10 0.442 0.808 0.442
214 10 0.692 0.692 0.192
215 10 0.808 0.942 0.942
216 11 0.4 0.35 0.85
217 11 0.15 0.65 0.6
218 11 0.85 0.4 0.35
219 11 0.65 0.65 0.1
220 11 0.85 0.9 0.85
221 11 0.6 0.1 0.6
222 11 0.35 0.9 0.35
223 11 0.6 0.6 0.1
224 11 0.9 0.85 0.85
225 2 0.875 0.1201 0.875
226 2 0.3799 0.125 0.625
227 2 0.375 0.6299 0.375
228 2 0.8799 0.125 0.125
229 2 0.375 0.1299 0.875
230 2 0.3701 0.625 0.625
231 2 0.875 0.1299 0.375
232 2 0.3701 0.125 0.125
233 2 0.375 0.6201 0.875
234 4 0.7149 0.0351 0.0351
235 4 0.4649 0.9649 0.7851
236 4 0.5351 0.7149 0.5351
237 4 0.9649 0.9649 0.2851
238 4 0.5351 0.2149 0.0351
239 4 0.2851 0.7851 0.7851
240 4 0.0351 0.2149 0.5351
241 4 0.2851 0.2851 0.2851
242 4 0.2149 0.5351 0.0351
243 5 0.7383 0.0117 0.0117
244 5 0.4883 0.9883 0.7617
245 5 0.5117 0.7383 0.5117
246 5 0.9883 0.9883 0.2617
247 5 0.5117 0.2383 0.0117
248 5 0.2617 0.7617 0.7617
249 5 0.0117 0.2383 0.5117
250 5 0.2617 0.2617 0.2617
251 5 0.2383 0.5117 0.0117
252 7 0.7559 0.1103 0.9941
253 7 0.3897 0.0059 0.7441
254 7 0.4941 0.6397 0.4941
255 7 0.8897 0.0059 0.2441
256 7 0.4941 0.1397 0.9941
257 7 0.3603 0.7441 0.7441
258 7 0.9941 0.1397 0.4941
259 7 0.3603 0.2441 0.2441
260 7 0.2559 0.6103 0.9941
261 8 0.745 0.12 0.005
262 8 0.38 0.995 0.755
263 8 0.505 0.63 0.505
264 8 0.88 0.995 0.255
265 8 0.505 0.13 0.005
266 8 0.37 0.755 0.755
267 8 0.005 0.13 0.505
268 8 0.37 0.255 0.255
269 8 0.245 0.62 0.005
270 9 0.9796 0.083 0.9796
271 9 0.417 0.2296 0.7296
272 9 0.2704 0.667 0.4796
273 9 0.917 0.2296 0.2296
274 9 0.2704 0.167 0.9796
275 9 0.333 0.5204 0.7296
276 9 0.7704 0.167 0.4796
277 9 0.333 0.0204 0.2296
278 9 0.4796 0.583 0.9796
279 10 0.192 0.058 0.058
280 10 0.442 0.442 0.808
281 10 0.058 0.692 0.558
282 10 0.942 0.442 0.308
283 10 0.058 0.192 0.058
284 10 0.308 0.308 0.808
285 10 0.558 0.192 0.558
286 10 0.308 0.808 0.308
287 10 0.692 0.558 0.058
288 11 0.1 0.15 0.15
289 11 0.35 0.35 0.9
290 11 0.15 0.6 0.65
291 11 0.85 0.35 0.4
292 11 0.15 0.1 0.15
293 11 0.4 0.4 0.9
294 11 0.65 0.1 0.65
295 11 0.4 0.9 0.4
296 11 0.6 0.65 0.15
297 7 0.3603 0.0059 0.0059
298 8 0.37 0.995 0.995
299 9 0.333 0.2296 0.0204
300 7 0.6397 0.9941 0.9941
301 8 0.63 0.005 0.005
302 9 0.667 0.7704 0.9796
303 7 0.7559 0.1397 0.2559
304 7 0.8897 0.7441 0.5059
305 7 0.4941 0.6103 0.7559
306 8 0.745 0.13 0.245
307 8 0.88 0.755 0.495
308 8 0.505 0.62 0.745
309 9 0.9796 0.167 0.2704
310 9 0.917 0.5204 0.5204
311 9 0.2704 0.583 0.7704
312 7 0.7441 0.8603 0.2441
313 7 0.6103 0.7559 0.4941
314 7 0.5059 0.8897 0.7441
315 8 0.755 0.87 0.255
316 8 0.62 0.745 0.505
317 8 0.495 0.88 0.755
318 9 0.5204 0.833 0.2296
319 9 0.583 0.9796 0.4796
320 9 0.7296 0.917 0.7296
321 7 0.2559 0.1397 0.7559
322 7 0.3897 0.2441 0.5059
323 7 0.4941 0.1103 0.2559
324 8 0.245 0.13 0.745
325 8 0.38 0.255 0.495
326 8 0.505 0.12 0.245
327 9 0.4796 0.167 0.7704
328 9 0.417 0.0204 0.5204
329 9 0.2704 0.083 0.2704
330 7 0.2441 0.8603 0.7441
331 7 0.1103 0.2559 0.4941
332 7 0.5059 0.3897 0.2441
333 8 0.255 0.87 0.755
334 8 0.12 0.245 0.505
335 8 0.495 0.38 0.255
336 9 0.0204 0.833 0.7296
337 9 0.083 0.4796 0.4796
338 9 0.7296 0.417 0.2296
339 7 0.3897 0.7441 0.0059
340 7 0.9941 0.1103 0.7559
341 7 0.3603 0.5059 0.5059
342 7 0.9941 0.6103 0.2559
343 7 0.8603 0.5059 0.0059
344 7 0.7559 0.6397 0.7559
345 7 0.8603 0.0059 0.5059
346 7 0.2559 0.6397 0.2559
347 7 0.8897 0.2441 0.0059
348 8 0.38 0.755 0.995
349 8 0.005 0.12 0.745
350 8 0.37 0.495 0.495
351 8 0.005 0.62 0.245
352 8 0.87 0.495 0.995
353 8 0.745 0.63 0.745
354 8 0.87 0.995 0.495
355 8 0.245 0.63 0.245
356 8 0.88 0.255 0.995
357 9 0.417 0.5204 0.0204
358 9 0.7704 0.083 0.7704
359 9 0.333 0.7296 0.5204
360 9 0.7704 0.583 0.2704
361 9 0.833 0.7296 0.0204
362 9 0.9796 0.667 0.7704
363 9 0.833 0.2296 0.5204
364 9 0.4796 0.667 0.2704
365 9 0.917 0.0204 0.0204
366 7 0.1103 0.7559 0.9941
367 7 0.0059 0.3897 0.7441
368 7 0.6397 0.4941 0.4941
369 7 0.0059 0.8897 0.2441
370 7 0.1397 0.4941 0.9941
371 7 0.7441 0.3603 0.7441
372 7 0.1397 0.9941 0.4941
373 7 0.2441 0.3603 0.2441
374 7 0.6103 0.2559 0.9941
375 8 0.12 0.745 0.005
376 8 0.995 0.38 0.755
377 8 0.63 0.505 0.505
378 8 0.995 0.88 0.255
379 8 0.13 0.505 0.005
380 8 0.755 0.37 0.755
381 8 0.13 0.005 0.505
382 8 0.255 0.37 0.255
383 8 0.62 0.245 0.005
384 9 0.083 0.9796 0.9796
385 9 0.2296 0.417 0.7296
386 9 0.667 0.2704 0.4796
387 9 0.2296 0.917 0.2296
388 9 0.167 0.2704 0.9796
389 9 0.5204 0.333 0.7296
390 9 0.167 0.7704 0.4796
391 9 0.0204 0.333 0.2296
392 9 0.583 0.4796 0.9796
393 2 0.125 0.125 0.3701
394 7 0.0059 0.0059 0.3603
395 8 0.995 0.995 0.37
396 9 0.0204 0.2296 0.333
397 2 0.875 0.875 0.6299
398 7 0.9941 0.9941 0.6397
399 8 0.005 0.005 0.63
400 9 0.9796 0.7704 0.667
401 2 0.875 0.375 0.1299
402 2 0.625 0.625 0.8799
403 2 0.375 0.875 0.6201
404 7 0.7559 0.2559 0.1397
405 7 0.5059 0.7441 0.8897
406 7 0.4941 0.7559 0.6103
407 8 0.745 0.245 0.13
408 8 0.495 0.755 0.88
409 8 0.505 0.745 0.62
410 9 0.9796 0.2704 0.167
411 9 0.5204 0.5204 0.917
412 9 0.2704 0.7704 0.583
413 2 0.625 0.125 0.8701
414 7 0.7441 0.2441 0.8603
415 8 0.755 0.255 0.87
416 9 0.5204 0.2296 0.833
417 9 0.4796 0.9796 0.583
418 9 0.7296 0.7296 0.917
419 2 0.375 0.875 0.1299
420 2 0.625 0.125 0.3799
421 2 0.375 0.375 0.1201
422 7 0.2559 0.7559 0.1397
423 7 0.5059 0.2441 0.3897
424 7 0.4941 0.2559 0.1103
425 8 0.245 0.745 0.13
426 8 0.495 0.255 0.38
427 8 0.505 0.245 0.12
428 9 0.4796 0.7704 0.167
429 9 0.5204 0.0204 0.417
430 9 0.2704 0.2704 0.083
431 2 0.125 0.625 0.8701
432 7 0.2441 0.7441 0.8603
433 8 0.255 0.755 0.87
434 9 0.0204 0.7296 0.833
435 9 0.4796 0.4796 0.083
436 9 0.7296 0.2296 0.417
437 2 0.125 0.625 0.3799
438 2 0.875 0.875 0.1201
439 2 0.625 0.625 0.3701
440 2 0.875 0.375 0.6201
441 2 0.375 0.375 0.6299
442 2 0.125 0.125 0.8799
443 7 0.0059 0.7441 0.3897
444 7 0.9941 0.7559 0.1103
445 7 0.5059 0.5059 0.3603
446 7 0.9941 0.2559 0.6103
447 7 0.0059 0.5059 0.8603
448 7 0.7559 0.7559 0.6397
449 7 0.5059 0.0059 0.8603
450 7 0.2559 0.2559 0.6397
451 7 0.0059 0.2441 0.8897
452 8 0.995 0.755 0.38
453 8 0.005 0.745 0.12
454 8 0.495 0.495 0.37
455 8 0.005 0.245 0.62
456 8 0.995 0.495 0.87
457 8 0.745 0.745 0.63
458 8 0.495 0.995 0.87
459 8 0.245 0.245 0.63
460 8 0.995 0.255 0.88
461 9 0.0204 0.5204 0.417
462 9 0.7704 0.7704 0.083
463 9 0.5204 0.7296 0.333
464 9 0.7704 0.2704 0.583
465 9 0.4796 0.2704 0.667
466 9 0.0204 0.0204 0.917
467 7 0.4941 0.4941 0.6397
468 7 0.9941 0.4941 0.1397
469 7 0.7441 0.7441 0.3603
470 7 0.4941 0.9941 0.1397
471 7 0.2441 0.2441 0.3603
472 8 0.505 0.505 0.63
473 8 0.005 0.505 0.13
474 8 0.755 0.755 0.37
475 8 0.505 0.005 0.13
476 8 0.255 0.255 0.37
477 9 0.9796 0.9796 0.083
478 9 0.2296 0.7296 0.417
479 9 0.2296 0.2296 0.917
480 9 0.9796 0.4796 0.583
481 9 0.2296 0.0204 0.333
482 9 0.7704 0.9796 0.667
483 7 0.7441 0.5059 0.8897
484 7 0.7559 0.4941 0.6103
485 8 0.755 0.495 0.88
486 8 0.745 0.505 0.62
487 9 0.2704 0.9796 0.167
488 9 0.2296 0.5204 0.833
489 7 0.2441 0.5059 0.3897
490 7 0.2559 0.4941 0.1103
491 8 0.255 0.495 0.38
492 8 0.245 0.505 0.12
493 9 0.7704 0.4796 0.167
494 9 0.7296 0.0204 0.833
495 7 0.7441 0.0059 0.3897
496 7 0.7559 0.9941 0.1103
497 7 0.2559 0.9941 0.6103
498 7 0.2441 0.0059 0.8897
499 8 0.755 0.995 0.38
500 8 0.745 0.005 0.12
501 8 0.245 0.005 0.62
502 8 0.255 0.995 0.88
503 9 0.7296 0.5204 0.333
504 9 0.2704 0.4796 0.667
X-ray density (g/cm cub.) = 2.92
MU (1/cm) = 300.12 Mass attenuation coefficient (cm**2/g) = 102.632
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Fe 3.132 12
2.0543 7
1.9111 8
2.0543 7
1.9111 8
2.0543 7
1.9111 8
2.0543 7
1.9111 8
2.0543 7
1.9111 8
2.0543 7
1.9111 8
2 Ca 3.42 22
2.4766 7
2.6987 8
2.2385 9
2.9608 10
2.6559 7
2.6517 8
2.66 9
3.2717 11
2.9608 10
3.2717 11
2.6559 7
2.4766 7
2.6517 8
2.6987 8
2.66 9
2.2385 9
2.66 9
2.66 9
2.6559 7
2.6517 8
2.6559 7
2.6517 8
3 C 2.412 6
1.2899 9
1.2899 9
1.2899 9
1.2899 9
1.2899 9
1.2899 9
4 B ,B 2.412 7
1.3939 7
1.3941 8
2.367 10
1.3939 7
1.3941 8
1.3939 7
1.3941 8
5 Si ,Si 2.64 10
1.4928 7
1.5958 8
2.6293 9
1.7721 10
1.4928 7
1.5958 8
2.6293 9
2.6293 9
1.4928 7
1.5958 8
6 Al ,Al 2.856 8
1.7035 10
0.6356 11
1.7035 10
0.6356 11
1.7035 10
1.7035 10
0.6356 11
0.6356 11
7 O ,O 3.804 20
0.2673 8
3.3149 9
3.6978 8
2.6969 10
3.0225 7
2.4122 7
2.8133 8
2.4146 8
2.783 7
3.6978 8
2.7983 8
2.7355 9
3.3149 9
2.7355 9
3.0225 7
2.4122 7
2.8133 8
2.4146 8
2.783 7
2.7983 8
8 O ,O 3.804 22
0.2673 7
3.5061 9
3.6978 7
3.526 8
2.9219 10
2.8133 7
2.4146 7
2.5949 8
2.3873 8
3.6978 7
2.7983 7
3.526 8
2.8063 8
2.9263 9
3.5061 9
2.9263 9
2.8133 7
2.4146 7
2.5949 8
2.3873 8
2.7983 7
2.8063 8
9 O ,O 3.804 24
3.3149 7
3.5061 8
3.3436 10
3.2167 11
3.3066 10
3.1538 11
2.2823 10
3.5462 11
2.5797 9
3.3066 10
3.3436 10
3.8019 11
2.5118 11
3.2167 11
2.1465 9
2.7355 7
3.3149 7
2.9263 8
3.5061 8
1.4309 9
1.4309 9
2.1465 9
2.7355 7
2.9263 8
10 O ,O 3.804 28
3.3436 9
2.3391 11
3.3066 9
2.2823 9
2.7817 10
1.6075 11
2.6969 7
2.9219 8
3.3436 9
3.3066 9
2.7817 10
2.7817 10
1.6075 11
1.6075 11
2.2823 9
3.3066 9
3.3436 9
2.6969 7
2.9219 8
3.3436 9
3.3066 9
3.3436 9
2.2823 9
2.6969 7
2.9219 8
3.3066 9
3.3066 9
3.3436 9
11 O ,Cl 4.344 46
3.2167 9
2.3391 10
4.2913 7
4.0844 9
3.989 7
4.2404 8
3.1538 9
3.5462 9
1.6075 10
1.038 11
3.989 7
4.2404 8
3.2167 9
4.0844 9
2.5118 9
3.8019 9
1.6075 10
1.6075 10
1.038 11
1.038 11
3.5462 9
3.989 7
4.2404 8
3.1538 9
4.2913 7
4.0844 9
3.2167 9
3.989 7
4.2404 8
2.5118 9
3.8019 9
3.2167 9
4.0844 9
3.2167 9
3.5462 9
4.0844 9
4.0844 9
3.989 7
4.2404 8
3.8019 9
3.989 7
4.2404 8
3.2167 9
2.5118 9
4.2913 7
3.1538 9
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 1 6.058 12.117 0.059 176.58 8 99.0 138.4
2 2 2 0 9.924 19.849 0.096 64.41 12 233.1 419.9
3 3 1 0 11.11 22.22 0.108 50.97 24 0.0 0.0
4 1 1 3 11.66 23.319 0.113 46.08 24 43.2 20.7
5 2 2 2 12.186 24.372 0.118 42.01 8 187.7 118.4
6 4 0 0 14.107 28.215 0.136 30.83 6 110.7 22.7
7 3 3 1 15.403 30.806 0.148 25.55 24 135.2 112.0
8 2 2 4 17.369 34.737 0.167 19.7 24 136.1 87.5
9 1 1 5 18.459 36.918 0.177 17.24 24 255.1 269.1
10 3 3 3 18.459 36.918 0.177 17.24 8 183.3 46.3
11 4 4 0 20.163 40.327 0.193 14.18 12 869.6 1286.0
12 5 3 0 20.812 41.625 0.199 13.21 24 0.0 0.0
13 5 3 1 21.131 42.261 0.202 12.77 48 44.7 12.2
14 4 4 2 21.445 42.89 0.204 12.35 24 100.0 29.6
15 6 2 0 22.668 45.335 0.215 10.9 24 165.9 72.0
16 3 3 5 23.552 47.103 0.223 10.0 24 88.4 18.7
17 2 2 6 23.841 47.681 0.226 9.73 24 177.7 73.7
18 4 4 4 24.972 49.943 0.236 8.75 8 945.9 626.3
19 7 1 0 25.523 51.046 0.241 8.33 24 0.0 0.0
20 1 1 7 25.796 51.591 0.243 8.13 24 199.5 77.6
21 5 5 1 25.796 51.591 0.243 8.13 24 101.2 20.0
22 6 4 2 27.129 54.258 0.255 7.25 48 218.7 166.3
23 5 5 3 27.908 55.815 0.262 6.8 24 28.9 1.4
24 7 3 1 27.908 55.815 0.262 6.8 48 74.4 18.1
25 8 0 0 29.175 58.35 0.272 6.15 6 1229.1 556.9
26 3 3 7 29.919 59.838 0.279 5.81 24 69.1 6.7
27 4 4 6 30.164 60.328 0.281 5.7 24 60.6 5.0
28 2 2 8 31.134 62.269 0.289 5.32 24 215.8 59.4
29 6 6 0 31.134 62.269 0.289 5.32 12 13.7 0.1
30 7 5 0 31.613 63.226 0.293 5.14 24 0.0 0.0
31 5 5 5 31.851 63.702 0.295 5.06 8 305.5 37.7
32 7 5 1 31.851 63.702 0.295 5.06 48 154.9 58.2
33 6 6 2 32.088 64.175 0.297 4.98 24 190.9 43.5
34 8 4 0 33.026 66.052 0.305 4.68 24 279.8 87.8
35 1 1 9 33.72 67.441 0.31 4.48 24 77.4 6.4
36 7 5 3 33.72 67.441 0.31 4.48 48 52.5 5.9
37 8 4 2 33.95 67.901 0.312 4.41 48 58.9 7.3
38 6 6 4 34.863 69.726 0.32 4.18 24 207.6 43.2
39 9 3 0 35.315 70.631 0.323 4.07 24 0.0 0.0
40 9 3 1 35.541 71.081 0.325 4.02 48 86.6 14.5
41 4 4 8 36.658 73.316 0.334 3.79 24 555.4 280.1
42 3 3 9 37.322 74.644 0.339 3.66 24 32.3 0.9
43 5 5 7 37.322 74.644 0.339 3.66 24 61.5 3.3
44 7 7 1 37.322 74.644 0.339 3.66 24 198.9 34.7
45 8 6 2 38.419 76.839 0.347 3.48 48 113.9 21.7
46 10 2 0 38.419 76.839 0.347 3.48 24 190.7 30.3
47 7 7 3 39.073 78.146 0.352 3.38 24 51.6 2.2
48 9 5 1 39.073 78.146 0.352 3.38 48 145.9 34.5
49 2 2 10 39.29 78.581 0.354 3.35 24 102.8 8.5
50 6 6 6 39.29 78.581 0.354 3.35 8 191.3 9.8
51 9 5 3 40.802 81.605 0.365 3.16 48 54.8 4.5
52 8 6 4 41.017 82.035 0.367 3.14 48 25.8 1.0
53 10 4 2 41.875 83.75 0.373 3.05 48 93.2 12.7
54 11 1 0 42.303 84.605 0.376 3.01 24 0.0 0.0
55 1 1 11 42.516 85.032 0.378 2.99 24 31.8 0.7
56 7 7 5 42.516 85.032 0.378 2.99 24 107.7 8.3
57 8 8 0 43.582 87.165 0.385 2.91 12 892.0 277.9
58 9 7 0 44.008 88.017 0.388 2.88 24 0.0 0.0
59 5 5 9 44.221 88.442 0.39 2.87 24 16.8 0.2
60 9 7 1 44.221 88.442 0.39 2.87 48 166.6 38.2
61 11 3 1 44.221 88.442 0.39 2.87 48 2.4 0.0
62 4 4 10 44.434 88.868 0.391 2.86 24 38.7 1.0
63 8 8 2 44.434 88.868 0.391 2.86 24 13.9 0.1
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 1 6.058 12.117 8.47493 138.4 10.8 11.0 5.6
2 2 2 0 9.924 19.849 5.18981 419.9 32.7 33.2 5.6
3 1 1 3 11.66 23.319 4.42589 20.7 1.6 1.6 5.6
4 2 2 2 12.186 24.372 4.23746 118.4 9.2 9.3 5.6
5 4 0 0 14.107 28.215 3.66975 22.7 1.8 1.8 5.6
6 3 3 1 15.403 30.806 3.36759 112.0 8.7 8.8 5.6
7 2 2 4 17.369 34.737 2.99634 87.5 6.8 6.8 5.7
8 1 1 5 18.459 36.918 2.82497 315.4 24.5 24.6 5.7
9 4 4 0 20.163 40.327 2.59491 1286.0 100.0 100.0 5.7
10 4 4 2 21.445 42.89 2.4465 29.6 2.3 2.3 5.7
11 6 2 0 22.668 45.335 2.32095 72.0 5.6 5.6 5.7
12 3 3 5 23.552 47.103 2.23853 18.7 1.5 1.4 5.7
13 2 2 6 23.841 47.681 2.21294 73.7 5.7 5.7 5.7
14 4 4 4 24.972 49.943 2.11873 626.3 48.7 48.2 5.7
15 1 1 7 25.796 51.591 2.05547 97.6 7.6 7.5 5.8
16 6 4 2 27.129 54.258 1.96156 166.3 12.9 12.7 5.8
17 7 3 1 27.908 55.815 1.91104 19.4 1.5 1.5 5.8
18 8 0 0 29.175 58.35 1.83487 556.9 43.3 42.4 5.8
19 2 2 8 31.134 62.269 1.72994 59.5 4.6 4.5 5.8
20 7 5 1 31.851 63.702 1.69498 95.9 7.5 7.2 5.9
21 6 6 2 32.088 64.175 1.6838 43.5 3.4 3.3 5.9
22 8 4 0 33.026 66.052 1.64116 87.8 6.8 6.6 5.9
23 6 6 4 34.863 69.726 1.56479 43.2 3.4 3.2 5.9
24 9 3 1 35.541 71.081 1.53878 14.5 1.1 1.1 5.9
25 4 4 8 36.658 73.316 1.49817 280.1 21.8 20.8 6.0
26 7 7 1 37.322 74.644 1.4753 38.1 3.0 2.8 6.0
27 10 2 0 38.419 76.839 1.43939 52.0 4.0 3.8 6.0
28 9 5 1 39.073 78.146 1.41907 36.7 2.9 2.7 6.0
29 6 6 6 39.29 78.581 1.41249 18.3 1.4 1.3 6.0
30 8 8 0 43.582 87.165 1.29745 277.9 21.6 20.0 6.2
31 9 7 1 44.221 88.442 1.28251 38.2 3.0 2.7 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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