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
1, Zn-analogue, DF
Na(21)Zn[SO(4)](10)Cl(3)
Cubic I 4(-)3d Z = 4
R =0.036 NR =810
18 .5 .1989
Ref.Str.:
H.Burzlay, H.-H.Grube (1980)
* Z. Kristallogr., 152, 83-93
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 15.913 alpha = 90.0
b = 15.913 beta = 90.0
c = 15.913 gamma = 90.0
Unit cell volume (cub. angs.) = 4029.55
Molar volume ( cub.cm/mol.) = 606.79
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3296 0.3296 0.3296 0.0 Na = 0.75, Zn = 0.25
2 0.25 0.375 0.0 0.0 Cl = 1.00
3 0.25 0.2683 0.5 0.0 S = 1.00
4 0.4607 0.4607 0.4607 0.0 S = 1.00
5 0.3749 0.3486 0.1177 0.0 Na = 1.00
6 0.5178 0.2456 0.4568 0.0 Na = 0.5 , Na = 0.0
7 0.0883 0.4744 0.4637 0.0 O = 1.00
8 0.2322 0.0339 0.4261 0.0 O = 1.00
9 0.0177 0.3227 0.0727 0.0 O = 1.00
10 0.4079 0.4079 0.4079 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3296 0.3296 0.3296
2 2 0.25 0.375 0.0
3 3 0.25 0.2683 0.5
4 4 0.4607 0.4607 0.4607
5 5 0.3749 0.3486 0.1177
6 6 0.5178 0.2456 0.4568
7 7 0.0883 0.4744 0.4637
8 8 0.2322 0.0339 0.4261
9 9 0.0177 0.3227 0.0727
10 10 0.4079 0.4079 0.4079
11 1 0.1704 0.6704 0.8296
12 2 0.25 0.625 0.5
13 3 0.25 0.7317 0.0
14 4 0.0393 0.5393 0.9607
15 5 0.1251 0.6514 0.6177
16 6 0.9822 0.7544 0.9568
17 7 0.4117 0.5256 0.9637
18 8 0.2678 0.9661 0.9261
19 9 0.4823 0.6773 0.5727
20 10 0.0921 0.5921 0.9079
21 1 0.6704 0.8296 0.1704
22 2 0.75 0.875 0.5
23 3 0.75 0.7683 0.0
24 4 0.5393 0.9607 0.0393
25 5 0.6251 0.8486 0.3823
26 6 0.4822 0.7456 0.0432
27 7 0.9117 0.9744 0.0363
28 8 0.7678 0.5339 0.0739
29 9 0.9823 0.8227 0.4273
30 10 0.5921 0.9079 0.0921
31 1 0.8296 0.1704 0.6704
32 2 0.75 0.125 0.0
33 3 0.75 0.2317 0.5
34 4 0.9607 0.0393 0.5393
35 5 0.8749 0.1514 0.8823
36 6 0.0178 0.2544 0.5432
37 7 0.5883 0.0256 0.5363
38 8 0.7322 0.4661 0.5739
39 9 0.5177 0.1773 0.9273
40 10 0.9079 0.0921 0.5921
41 1 0.6704 0.1704 0.3296
42 4 0.5393 0.0393 0.4607
43 5 0.6251 0.1514 0.1177
44 6 0.4822 0.2544 0.4568
45 7 0.9117 0.0256 0.4637
46 8 0.7678 0.4661 0.4261
47 9 0.9823 0.1773 0.0727
48 10 0.5921 0.0921 0.4079
49 1 0.8296 0.8296 0.8296
50 4 0.9607 0.9607 0.9607
51 5 0.8749 0.8486 0.6177
52 6 0.0178 0.7456 0.9568
53 7 0.5883 0.9744 0.9637
54 8 0.7322 0.5339 0.9261
55 9 0.5177 0.8227 0.5727
56 10 0.9079 0.9079 0.9079
57 1 0.3296 0.6704 0.1704
58 4 0.4607 0.5393 0.0393
59 5 0.3749 0.6514 0.3823
60 6 0.5178 0.7544 0.0432
61 7 0.0883 0.5256 0.0363
62 8 0.2322 0.9661 0.0739
63 9 0.0177 0.6773 0.4273
64 10 0.4079 0.5921 0.0921
65 1 0.1704 0.3296 0.6704
66 4 0.0393 0.4607 0.5393
67 5 0.1251 0.3486 0.8823
68 6 0.9822 0.2456 0.5432
69 7 0.4117 0.4744 0.5363
70 8 0.2678 0.0339 0.5739
71 9 0.4823 0.3227 0.9273
72 10 0.0921 0.4079 0.5921
73 1 0.5796 0.5796 0.5796
74 2 0.625 0.5 0.25
75 3 0.5183 0.5 0.75
76 4 0.7107 0.7107 0.7107
77 5 0.5986 0.6249 0.3677
78 6 0.4956 0.7678 0.7068
79 7 0.7244 0.3383 0.7137
80 8 0.2839 0.4822 0.6761
81 9 0.5727 0.2677 0.3227
82 10 0.6579 0.6579 0.6579
83 1 0.9204 0.4204 0.0796
84 2 0.875 0.5 0.75
85 3 0.9817 0.5 0.25
86 4 0.7893 0.2893 0.2107
87 5 0.9014 0.3751 0.8677
88 6 0.0044 0.2322 0.2068
89 7 0.7756 0.6617 0.2137
90 8 0.2161 0.5178 0.1761
91 9 0.9273 0.7323 0.8227
92 10 0.8421 0.3421 0.1579
93 1 0.0796 0.9204 0.4204
94 2 0.125 0.0 0.75
95 3 0.0183 0.0 0.25
96 4 0.2107 0.7893 0.2893
97 5 0.0986 0.8751 0.6323
98 6 0.9956 0.7322 0.2932
99 7 0.2244 0.1617 0.2863
100 8 0.7839 0.0178 0.3239
101 9 0.0727 0.2323 0.6773
102 10 0.1579 0.8421 0.3421
103 1 0.4204 0.0796 0.9204
104 2 0.375 0.0 0.25
105 3 0.4817 0.0 0.75
106 4 0.2893 0.2107 0.7893
107 5 0.4014 0.1249 0.1323
108 6 0.5044 0.2678 0.7932
109 7 0.2756 0.8383 0.7863
110 8 0.7161 0.9822 0.8239
111 9 0.4273 0.7677 0.1773
112 10 0.3421 0.1579 0.8421
113 1 0.4204 0.9204 0.5796
114 4 0.2893 0.7893 0.7107
115 5 0.4014 0.8751 0.3677
116 6 0.5044 0.7322 0.7068
117 7 0.2756 0.1617 0.7137
118 8 0.7161 0.0178 0.6761
119 9 0.4273 0.2323 0.3227
120 10 0.3421 0.8421 0.6579
121 1 0.0796 0.0796 0.0796
122 4 0.2107 0.2107 0.2107
123 5 0.0986 0.1249 0.8677
124 6 0.9956 0.2678 0.2068
125 7 0.2244 0.8383 0.2137
126 8 0.7839 0.9822 0.1761
127 9 0.0727 0.7677 0.8227
128 10 0.1579 0.1579 0.1579
129 1 0.9204 0.5796 0.4204
130 4 0.7893 0.7107 0.2893
131 5 0.9014 0.6249 0.6323
132 6 0.0044 0.7678 0.2932
133 7 0.7756 0.3383 0.2863
134 8 0.2161 0.4822 0.3239
135 9 0.9273 0.2677 0.6773
136 10 0.8421 0.6579 0.3421
137 1 0.5796 0.4204 0.9204
138 4 0.7107 0.2893 0.7893
139 5 0.5986 0.3751 0.1323
140 6 0.4956 0.2322 0.7932
141 7 0.7244 0.6617 0.7863
142 8 0.2839 0.5178 0.8239
143 9 0.5727 0.7323 0.1773
144 10 0.6579 0.3421 0.8421
145 2 0.0 0.25 0.375
146 3 0.2683 0.5 0.25
147 3 0.5 0.25 0.2683
148 5 0.3486 0.1177 0.3749
149 5 0.1177 0.3749 0.3486
150 6 0.2456 0.4568 0.5178
151 6 0.4568 0.5178 0.2456
152 7 0.4744 0.4637 0.0883
153 7 0.4637 0.0883 0.4744
154 8 0.0339 0.4261 0.2322
155 8 0.4261 0.2322 0.0339
156 9 0.3227 0.0727 0.0177
157 9 0.0727 0.0177 0.3227
158 2 0.5 0.25 0.625
159 3 0.7317 0.0 0.25
160 3 0.0 0.25 0.7317
161 5 0.6514 0.6177 0.1251
162 5 0.6177 0.1251 0.6514
163 6 0.7544 0.9568 0.9822
164 6 0.9568 0.9822 0.7544
165 7 0.5256 0.9637 0.4117
166 7 0.9637 0.4117 0.5256
167 8 0.9661 0.9261 0.2678
168 8 0.9261 0.2678 0.9661
169 9 0.6773 0.5727 0.4823
170 9 0.5727 0.4823 0.6773
171 2 0.5 0.75 0.875
172 3 0.7683 0.0 0.75
173 3 0.0 0.75 0.7683
174 5 0.8486 0.3823 0.6251
175 5 0.3823 0.6251 0.8486
176 6 0.7456 0.0432 0.4822
177 6 0.0432 0.4822 0.7456
178 7 0.9744 0.0363 0.9117
179 7 0.0363 0.9117 0.9744
180 8 0.5339 0.0739 0.7678
181 8 0.0739 0.7678 0.5339
182 9 0.8227 0.4273 0.9823
183 9 0.4273 0.9823 0.8227
184 2 0.0 0.75 0.125
185 3 0.2317 0.5 0.75
186 3 0.5 0.75 0.2317
187 5 0.1514 0.8823 0.8749
188 5 0.8823 0.8749 0.1514
189 6 0.2544 0.5432 0.0178
190 6 0.5432 0.0178 0.2544
191 7 0.0256 0.5363 0.5883
192 7 0.5363 0.5883 0.0256
193 8 0.4661 0.5739 0.7322
194 8 0.5739 0.7322 0.4661
195 9 0.1773 0.9273 0.5177
196 9 0.9273 0.5177 0.1773
197 5 0.1514 0.1177 0.6251
198 5 0.1177 0.6251 0.1514
199 6 0.2544 0.4568 0.4822
200 6 0.4568 0.4822 0.2544
201 7 0.0256 0.4637 0.9117
202 7 0.4637 0.9117 0.0256
203 8 0.4661 0.4261 0.7678
204 8 0.4261 0.7678 0.4661
205 9 0.1773 0.0727 0.9823
206 9 0.0727 0.9823 0.1773
207 5 0.8486 0.6177 0.8749
208 5 0.6177 0.8749 0.8486
209 6 0.7456 0.9568 0.0178
210 6 0.9568 0.0178 0.7456
211 7 0.9744 0.9637 0.5883
212 7 0.9637 0.5883 0.9744
213 8 0.5339 0.9261 0.7322
214 8 0.9261 0.7322 0.5339
215 9 0.8227 0.5727 0.5177
216 9 0.5727 0.5177 0.8227
217 5 0.6514 0.3823 0.3749
218 5 0.3823 0.3749 0.6514
219 6 0.7544 0.0432 0.5178
220 6 0.0432 0.5178 0.7544
221 7 0.5256 0.0363 0.0883
222 7 0.0363 0.0883 0.5256
223 8 0.9661 0.0739 0.2322
224 8 0.0739 0.2322 0.9661
225 9 0.6773 0.4273 0.0177
226 9 0.4273 0.0177 0.6773
227 5 0.3486 0.8823 0.1251
228 5 0.8823 0.1251 0.3486
229 6 0.2456 0.5432 0.9822
230 6 0.5432 0.9822 0.2456
231 7 0.4744 0.5363 0.4117
232 7 0.5363 0.4117 0.4744
233 8 0.0339 0.5739 0.2678
234 8 0.5739 0.2678 0.0339
235 9 0.3227 0.9273 0.4823
236 9 0.9273 0.4823 0.3227
237 3 0.5 0.75 0.5183
238 3 0.75 0.5183 0.5
239 5 0.6249 0.3677 0.5986
240 5 0.3677 0.5986 0.6249
241 6 0.7678 0.7068 0.4956
242 6 0.7068 0.4956 0.7678
243 7 0.3383 0.7137 0.7244
244 7 0.7137 0.7244 0.3383
245 8 0.4822 0.6761 0.2839
246 8 0.6761 0.2839 0.4822
247 9 0.2677 0.3227 0.5727
248 9 0.3227 0.5727 0.2677
249 3 0.5 0.25 0.9817
250 3 0.25 0.9817 0.5
251 5 0.3751 0.8677 0.9014
252 5 0.8677 0.9014 0.3751
253 6 0.2322 0.2068 0.0044
254 6 0.2068 0.0044 0.2322
255 7 0.6617 0.2137 0.7756
256 7 0.2137 0.7756 0.6617
257 8 0.5178 0.1761 0.2161
258 8 0.1761 0.2161 0.5178
259 9 0.7323 0.8227 0.9273
260 9 0.8227 0.9273 0.7323
261 3 0.0 0.25 0.0183
262 3 0.25 0.0183 0.0
263 5 0.8751 0.6323 0.0986
264 5 0.6323 0.0986 0.8751
265 6 0.7322 0.2932 0.9956
266 6 0.2932 0.9956 0.7322
267 7 0.1617 0.2863 0.2244
268 7 0.2863 0.2244 0.1617
269 8 0.0178 0.3239 0.7839
270 8 0.3239 0.7839 0.0178
271 9 0.2323 0.6773 0.0727
272 9 0.6773 0.0727 0.2323
273 3 0.0 0.75 0.4817
274 3 0.75 0.4817 0.0
275 5 0.1249 0.1323 0.4014
276 5 0.1323 0.4014 0.1249
277 6 0.2678 0.7932 0.5044
278 6 0.7932 0.5044 0.2678
279 7 0.8383 0.7863 0.2756
280 7 0.7863 0.2756 0.8383
281 8 0.9822 0.8239 0.7161
282 8 0.8239 0.7161 0.9822
283 9 0.7677 0.1773 0.4273
284 9 0.1773 0.4273 0.7677
285 5 0.8751 0.3677 0.4014
286 5 0.3677 0.4014 0.8751
287 6 0.7322 0.7068 0.5044
288 6 0.7068 0.5044 0.7322
289 7 0.1617 0.7137 0.2756
290 7 0.7137 0.2756 0.1617
291 8 0.0178 0.6761 0.7161
292 8 0.6761 0.7161 0.0178
293 9 0.2323 0.3227 0.4273
294 9 0.3227 0.4273 0.2323
295 5 0.1249 0.8677 0.0986
296 5 0.8677 0.0986 0.1249
297 6 0.2678 0.2068 0.9956
298 6 0.2068 0.9956 0.2678
299 7 0.8383 0.2137 0.2244
300 7 0.2137 0.2244 0.8383
301 8 0.9822 0.1761 0.7839
302 8 0.1761 0.7839 0.9822
303 9 0.7677 0.8227 0.0727
304 9 0.8227 0.0727 0.7677
305 5 0.6249 0.6323 0.9014
306 5 0.6323 0.9014 0.6249
307 6 0.7678 0.2932 0.0044
308 6 0.2932 0.0044 0.7678
309 7 0.3383 0.2863 0.7756
310 7 0.2863 0.7756 0.3383
311 8 0.4822 0.3239 0.2161
312 8 0.3239 0.2161 0.4822
313 9 0.2677 0.6773 0.9273
314 9 0.6773 0.9273 0.2677
315 5 0.3751 0.1323 0.5986
316 5 0.1323 0.5986 0.3751
317 6 0.2322 0.7932 0.4956
318 6 0.7932 0.4956 0.2322
319 7 0.6617 0.7863 0.7244
320 7 0.7863 0.7244 0.6617
321 8 0.5178 0.8239 0.2839
322 8 0.8239 0.2839 0.5178
323 9 0.7323 0.1773 0.5727
324 9 0.1773 0.5727 0.7323
X-ray density (g/cm cub.) = 2.66
MU (1/cm) = 108.219 Mass attenuation coefficient (cm**2/g) = 40.662
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na ,Zn 3.348 10
2.1581 10
3.2273 7
2.1969 9
3.0277 8
3.2273 7
3.2273 7
2.1969 9
2.1969 9
3.0277 8
3.0277 8
2 Cl 4.344 16
3.9618 9
3.5634 7
3.5634 7
3.9618 9
3.6479 8
3.6479 8
4.0887 7
3.6479 8
4.0887 7
3.6479 8
4.0887 7
3.5634 7
3.9618 9
3.9618 9
3.5634 7
4.0887 7
3 S 2.52 4
1.4721 9
1.4674 8
1.4721 9
1.4674 8
4 S 2.52 4
1.4553 10
1.4501 7
1.4501 7
1.4501 7
5 Na 3.348 6
2.7631 2
2.4659 7
2.4234 8
2.5267 7
2.3631 9
2.3498 8
6 Na ,Na 3.348 9
3.2147 10
2.8231 10
2.3325 9
2.5831 9
2.6618 7
2.6924 2
2.6742 7
2.623 8
3.1471 8
7 O 3.804 9
3.5634 2
3.4673 9
2.3018 10
3.0167 8
2.4284 7
2.4284 7
3.602 8
3.4079 9
3.3784 9
8 O 3.804 10
2.4192 8
3.0167 7
3.5355 10
3.6479 2
3.0358 9
2.4011 9
3.602 7
2.3982 9
3.3664 8
3.3664 8
9 O 3.804 11
2.3813 9
3.4673 7
3.1212 10
3.7004 10
3.0358 8
2.4011 8
3.8038 9
3.8038 9
3.4079 7
2.3982 8
3.3784 7
10 O 3.804 12
2.3018 7
3.7004 9
3.1212 9
3.5355 8
2.3018 7
2.3018 7
3.7004 9
3.7004 9
3.1212 9
3.1212 9
3.5355 8
3.5355 8
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 3.925 7.851 0.044 423.8 12 0.0 0.0
2 2 0 0 5.556 11.111 0.063 210.42 6 0.0 0.0
3 1 1 2 6.81 13.619 0.077 139.3 24 107.1 236.1
4 2 2 0 7.869 15.738 0.089 103.75 12 47.0 16.9
5 3 1 0 8.805 17.61 0.099 82.42 24 14.0 2.4
6 3 2 1 10.435 20.87 0.118 58.06 48 116.6 233.3
7 4 0 0 11.164 22.329 0.126 50.45 6 365.4 248.9
8 3 3 0 11.851 23.702 0.133 44.54 12 0.0 0.0
9 4 2 0 12.502 25.004 0.141 39.81 24 131.1 101.2
10 3 3 2 13.123 26.246 0.147 35.94 24 424.1 955.6
11 2 2 4 13.718 27.435 0.154 32.72 24 11.3 0.6
12 4 3 1 14.29 28.579 0.16 30.0 48 228.2 461.9
13 5 1 0 14.29 28.579 0.16 30.0 24 116.0 59.7
14 5 2 1 15.375 30.749 0.172 25.65 48 145.4 160.4
15 4 4 0 15.892 31.784 0.178 23.89 12 779.2 1071.8
16 5 3 0 16.395 32.789 0.183 22.33 24 142.7 67.2
17 6 0 0 16.884 33.768 0.189 20.95 6 0.0 0.0
18 1 1 6 17.361 34.722 0.194 19.72 24 282.2 232.1
19 5 3 2 17.361 34.722 0.194 19.72 48 202.8 239.7
20 6 2 0 17.827 35.654 0.199 18.61 24 358.6 353.8
21 5 4 1 18.283 36.565 0.204 17.61 48 165.5 142.5
22 6 3 1 19.166 38.332 0.213 15.87 48 99.7 46.7
23 4 4 4 19.595 39.189 0.218 15.11 8 382.6 109.0
24 5 4 3 20.016 40.032 0.222 14.41 48 156.4 104.1
25 5 5 0 20.016 40.032 0.222 14.41 12 0.0 0.0
26 7 1 0 20.016 40.032 0.222 14.41 24 105.7 23.8
27 6 4 0 20.43 40.859 0.227 13.77 24 0.3 0.0
28 3 3 6 20.837 41.674 0.231 13.17 24 140.1 38.2
29 5 5 2 20.837 41.674 0.231 13.17 24 281.8 154.7
30 7 2 1 20.837 41.674 0.231 13.17 48 108.6 45.9
31 6 4 2 21.238 42.475 0.235 12.62 48 64.3 15.4
32 7 3 0 21.632 43.264 0.239 12.11 24 79.6 11.4
33 6 5 1 22.405 44.809 0.247 11.19 48 177.2 103.9
34 7 3 2 22.405 44.809 0.247 11.19 48 186.0 114.5
35 8 0 0 22.783 45.566 0.251 10.78 6 361.2 52.0
36 7 4 1 23.157 46.314 0.255 10.39 48 22.9 1.6
37 8 2 0 23.526 47.052 0.259 10.02 24 111.3 18.4
38 6 5 3 23.891 47.781 0.263 9.68 48 277.2 219.9
39 2 2 8 24.251 48.502 0.267 9.36 24 78.5 8.5
40 6 6 0 24.251 48.502 0.267 9.36 12 52.1 1.9
41 7 4 3 24.608 49.215 0.27 9.05 48 195.1 101.8
42 7 5 0 24.608 49.215 0.27 9.05 24 160.5 34.5
43 8 3 1 24.608 49.215 0.27 9.05 48 9.1 0.2
44 7 5 2 25.309 50.619 0.278 8.49 48 95.7 23.0
45 8 4 0 25.655 51.31 0.281 8.23 24 50.4 3.1
46 9 1 0 25.998 51.995 0.285 7.99 24 214.1 54.1
47 8 4 2 26.337 52.673 0.288 7.75 48 33.0 2.5
48 5 5 6 26.673 53.346 0.291 7.53 24 408.1 185.5
49 7 6 1 26.673 53.346 0.291 7.53 48 195.1 84.8
50 9 2 1 26.673 53.346 0.291 7.53 48 283.7 179.3
51 6 6 4 27.006 54.012 0.295 7.32 24 285.6 88.3
52 7 5 4 27.337 54.673 0.298 7.12 48 15.9 0.5
53 8 5 1 27.337 54.673 0.298 7.12 48 115.6 28.1
54 9 3 0 27.337 54.673 0.298 7.12 24 133.0 18.6
55 7 6 3 27.99 55.979 0.305 6.75 48 164.4 53.9
56 9 3 2 27.99 55.979 0.305 6.75 48 113.2 25.6
57 4 4 8 28.312 56.625 0.308 6.58 24 290.0 81.8
58 7 7 0 28.633 57.265 0.311 6.41 12 0.0 0.0
59 8 5 3 28.633 57.265 0.311 6.41 48 196.5 73.2
60 9 4 1 28.633 57.265 0.311 6.41 48 96.6 17.7
61 8 6 0 28.951 57.901 0.314 6.25 24 80.7 6.0
62 10 0 0 28.951 57.901 0.314 6.25 6 0.0 0.0
63 1 1 10 29.267 58.533 0.317 6.1 24 108.4 10.6
64 7 7 2 29.267 58.533 0.317 6.1 24 159.5 23.0
65 8 6 2 29.58 59.161 0.32 5.96 48 152.6 41.0
66 10 2 0 29.58 59.161 0.32 5.96 24 222.6 43.7
67 9 4 3 29.892 59.784 0.323 5.82 48 82.0 11.6
68 9 5 0 29.892 59.784 0.323 5.82 24 41.4 1.5
69 7 6 5 30.51 61.019 0.33 5.56 48 165.0 44.8
70 9 5 2 30.51 61.019 0.33 5.56 48 180.0 53.2
71 10 3 1 30.51 61.019 0.33 5.56 48 11.7 0.2
72 8 7 1 31.12 62.24 0.335 5.32 48 192.9 58.5
73 8 6 4 31.423 62.845 0.338 5.21 48 79.9 9.8
74 10 4 0 31.423 62.845 0.338 5.21 24 120.9 11.3
75 3 3 10 31.723 63.447 0.341 5.1 24 100.6 7.6
76 9 6 1 31.723 63.447 0.341 5.1 48 200.8 60.8
77 10 4 2 32.023 64.046 0.344 5.0 48 173.1 44.3
78 8 7 3 32.321 64.642 0.347 4.9 48 86.1 10.7
79 9 5 4 32.321 64.642 0.347 4.9 48 137.8 27.5
80 11 1 0 32.321 64.642 0.347 4.9 24 96.3 6.7
81 9 6 3 32.912 65.824 0.353 4.71 48 98.3 13.5
82 10 5 1 32.912 65.824 0.353 4.71 48 188.9 49.7
83 11 2 1 32.912 65.824 0.353 4.71 48 134.2 25.1
84 8 8 0 33.206 66.412 0.355 4.62 12 419.1 60.0
85 9 7 0 33.498 66.996 0.358 4.54 24 213.9 30.7
86 11 3 0 33.498 66.996 0.358 4.54 24 37.5 0.9
87 7 7 6 34.079 68.158 0.364 4.38 24 112.7 8.2
88 9 7 2 34.079 68.158 0.364 4.38 48 57.5 4.3
89 10 5 3 34.079 68.158 0.364 4.38 48 150.1 29.1
90 11 3 2 34.079 68.158 0.364 4.38 48 85.6 9.5
91 6 6 8 34.368 68.736 0.366 4.3 24 225.3 32.3
92 10 6 0 34.368 68.736 0.366 4.3 24 141.3 12.7
93 8 7 5 34.655 69.311 0.369 4.23 48 48.2 2.9
94 11 4 1 34.655 69.311 0.369 4.23 48 186.4 43.4
95 10 6 2 34.942 69.884 0.372 4.16 48 4.8 0.0
96 9 6 5 35.227 70.454 0.374 4.09 48 38.0 1.7
97 8 8 4 35.512 71.023 0.377 4.03 24 118.9 8.4
98 12 0 0 35.512 71.023 0.377 4.03 6 170.0 4.3
99 9 7 4 35.795 71.59 0.38 3.96 48 69.8 5.7
100 9 8 1 35.795 71.59 0.38 3.96 48 107.1 13.4
101 11 4 3 35.795 71.59 0.38 3.96 48 49.5 2.9
102 11 5 0 35.795 71.59 0.38 3.96 24 131.6 10.1
103 12 2 0 36.078 72.155 0.382 3.9 24 219.5 27.8
104 5 5 10 36.359 72.719 0.385 3.84 24 247.0 34.7
105 10 7 1 36.359 72.719 0.385 3.84 48 60.9 4.2
106 11 5 2 36.359 72.719 0.385 3.84 48 237.3 64.0
107 2 2 12 36.64 73.28 0.387 3.79 24 97.1 5.3
108 10 6 4 36.64 73.28 0.387 3.79 48 71.8 5.8
109 9 8 3 36.92 73.84 0.39 3.73 48 79.5 7.0
110 12 3 1 36.92 73.84 0.39 3.73 48 176.1 34.2
111 10 7 3 37.478 74.955 0.395 3.63 48 78.4 6.6
112 11 6 1 37.478 74.955 0.395 3.63 48 106.4 12.2
113 12 4 0 37.755 75.51 0.397 3.58 24 124.8 8.3
114 9 9 0 38.032 76.064 0.4 3.54 12 0.0 0.0
115 11 5 4 38.032 76.064 0.4 3.54 48 33.2 1.2
116 10 8 0 38.309 76.617 0.402 3.49 24 109.5 6.2
117 12 4 2 38.309 76.617 0.402 3.49 48 138.2 19.7
118 9 7 6 38.584 77.168 0.405 3.45 48 226.8 52.5
119 9 9 2 38.584 77.168 0.405 3.45 24 197.6 19.9
120 11 6 3 38.584 77.168 0.405 3.45 48 182.9 34.1
121 10 8 2 38.859 77.719 0.407 3.41 48 138.9 19.5
122 9 8 5 39.134 78.268 0.41 3.37 48 105.4 11.1
123 11 7 0 39.134 78.268 0.41 3.37 24 0.2 0.0
124 12 5 1 39.134 78.268 0.41 3.37 48 26.0 0.7
125 13 1 0 39.134 78.268 0.41 3.37 24 60.6 1.8
126 10 7 5 39.681 79.362 0.414 3.3 48 98.1 9.4
127 11 7 2 39.681 79.362 0.414 3.3 48 107.4 11.2
128 13 2 1 39.681 79.362 0.414 3.3 48 130.0 16.5
129 4 4 12 39.954 79.908 0.417 3.26 24 45.3 1.0
130 12 5 3 40.227 80.453 0.419 3.23 48 85.4 7.0
131 13 3 0 40.227 80.453 0.419 3.23 24 150.6 10.8
132 10 8 4 40.499 80.997 0.422 3.19 48 88.2 7.3
133 12 6 0 40.499 80.997 0.422 3.19 24 197.2 18.4
134 10 9 1 40.77 81.541 0.424 3.16 48 74.1 5.1
135 11 6 5 40.77 81.541 0.424 3.16 48 133.4 16.6
136 13 3 2 40.77 81.541 0.424 3.16 48 118.0 13.0
137 12 6 2 41.042 82.083 0.426 3.13 48 74.1 5.1
138 11 7 4 41.313 82.625 0.429 3.11 48 91.4 7.7
139 11 8 1 41.313 82.625 0.429 3.11 48 112.8 11.7
140 13 4 1 41.313 82.625 0.429 3.11 48 105.4 10.2
141 10 9 3 41.853 83.707 0.433 3.05 48 84.2 6.4
142 8 8 8 42.123 84.247 0.435 3.03 8 354.6 18.8
143 9 8 7 42.393 84.786 0.438 3.0 48 31.6 0.9
144 11 8 3 42.393 84.786 0.438 3.0 48 204.9 37.3
145 12 7 1 42.393 84.786 0.438 3.0 48 66.7 3.9
146 13 4 3 42.393 84.786 0.438 3.0 48 116.2 12.0
147 13 5 0 42.393 84.786 0.438 3.0 24 167.5 12.5
148 12 6 4 42.663 85.325 0.44 2.98 48 84.3 6.3
149 14 0 0 42.663 85.325 0.44 2.98 6 0.0 0.0
150 1 1 14 42.932 85.864 0.442 2.96 24 159.9 11.2
151 7 7 10 42.932 85.864 0.442 2.96 24 303.2 40.2
152 9 9 6 42.932 85.864 0.442 2.96 24 205.4 18.5
153 13 5 2 42.932 85.864 0.442 2.96 48 172.9 26.1
154 10 8 6 43.201 86.402 0.444 2.94 48 165.5 23.8
155 10 10 0 43.201 86.402 0.444 2.94 12 17.4 0.1
156 14 2 0 43.201 86.402 0.444 2.94 24 244.5 26.0
157 11 9 0 43.47 86.94 0.447 2.92 24 140.4 8.5
158 12 7 3 43.47 86.94 0.447 2.92 48 9.0 0.1
159 10 9 5 44.008 88.015 0.451 2.88 48 105.9 9.6
160 11 7 6 44.008 88.015 0.451 2.88 48 264.8 59.8
161 11 9 2 44.008 88.015 0.451 2.88 48 90.3 6.9
162 13 6 1 44.008 88.015 0.451 2.88 48 83.3 5.9
163 14 3 1 44.008 88.015 0.451 2.88 48 90.1 6.9
164 12 8 0 44.276 88.552 0.453 2.87 24 25.7 0.3
165 11 8 5 44.545 89.089 0.455 2.85 48 80.8 5.5
166 13 5 4 44.545 89.089 0.455 2.85 48 65.2 3.6
167 12 8 2 44.813 89.626 0.457 2.84 48 102.6 8.8
168 14 4 0 44.813 89.626 0.457 2.84 24 177.3 13.2
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 6.81 13.619 6.49645 236.1 22.0 22.3 5.6
2 2 2 0 7.869 15.738 5.6261 16.9 1.6 1.6 5.6
3 3 2 1 10.435 20.87 4.25293 233.3 21.8 21.9 5.6
4 4 0 0 11.164 22.329 3.97825 248.9 23.2 23.4 5.6
5 4 2 0 12.502 25.004 3.55826 101.2 9.4 9.5 5.6
6 3 3 2 13.123 26.246 3.39266 955.6 89.2 89.6 5.6
7 4 3 1 14.29 28.579 3.1208 521.6 48.7 48.8 5.6
8 5 2 1 15.375 30.749 2.9053 160.4 15.0 15.0 5.6
9 4 4 0 15.892 31.784 2.81305 1071.8 100.0 100.0 5.6
10 5 3 0 16.395 32.789 2.72906 67.2 6.3 6.3 5.6
11 5 3 2 17.361 34.722 2.58143 471.8 44.0 43.9 5.7
12 6 2 0 17.827 35.654 2.51607 353.8 33.0 32.9 5.7
13 5 4 1 18.283 36.565 2.45543 142.5 13.3 13.2 5.7
14 6 3 1 19.166 38.332 2.34624 46.7 4.4 4.3 5.7
15 4 4 4 19.595 39.189 2.29684 109.0 10.2 10.1 5.7
16 5 4 3 20.016 40.032 2.25044 127.9 11.9 11.8 5.7
17 7 2 1 20.837 41.674 2.16548 238.8 22.3 22.1 5.7
18 6 4 2 21.238 42.475 2.12646 15.4 1.4 1.4 5.7
19 7 3 0 21.632 43.264 2.08948 11.4 1.1 1.0 5.7
20 7 3 2 22.405 44.809 2.02095 218.5 20.4 20.1 5.7
21 8 0 0 22.783 45.566 1.98913 52.0 4.8 4.8 5.7
22 8 2 0 23.526 47.052 1.92973 18.4 1.7 1.7 5.7
23 6 5 3 23.891 47.781 1.90197 219.9 20.5 20.2 5.7
24 7 4 3 24.608 49.215 1.84985 136.5 12.7 12.5 5.7
25 7 5 2 25.309 50.619 1.80179 23.0 2.1 2.1 5.8
26 9 1 0 25.998 51.995 1.7573 54.1 5.0 4.9 5.8
27 5 5 6 26.673 53.346 1.71594 449.5 41.9 41.0 5.8
28 6 6 4 27.006 54.012 1.69633 88.3 8.2 8.0 5.8
29 8 5 1 27.337 54.673 1.67738 46.7 4.4 4.3 5.8
30 7 6 3 27.99 55.979 1.6413 79.5 7.4 7.2 5.8
31 4 4 8 28.312 56.625 1.62411 81.8 7.6 7.4 5.8
32 8 5 3 28.633 57.265 1.60746 90.9 8.5 8.2 5.8
33 7 7 2 29.267 58.533 1.57562 33.6 3.1 3.0 5.8
34 10 2 0 29.58 59.161 1.5604 84.7 7.9 7.7 5.8
35 9 4 3 29.892 59.784 1.54561 13.0 1.2 1.2 5.8
36 9 5 2 30.51 61.019 1.51725 98.2 9.2 8.9 5.8
37 8 7 1 31.12 62.24 1.49039 58.5 5.5 5.3 5.8
38 10 4 0 31.423 62.845 1.47749 21.1 2.0 1.9 5.9
39 9 6 1 31.723 63.447 1.46491 68.5 6.4 6.2 5.9
40 10 4 2 32.023 64.046 1.45265 44.3 4.1 4.0 5.9
41 9 5 4 32.321 64.642 1.4407 44.9 4.2 4.0 5.9
42 11 2 1 32.912 65.824 1.41764 88.2 8.2 7.9 5.9
43 8 8 0 33.206 66.412 1.40652 60.0 5.6 5.4 5.9
44 9 7 0 33.498 66.996 1.39566 31.6 3.0 2.8 5.9
45 11 3 2 34.079 68.158 1.37467 51.1 4.8 4.6 5.9
46 6 6 8 34.368 68.736 1.36453 45.0 4.2 4.0 5.9
47 11 4 1 34.655 69.311 1.3546 46.3 4.3 4.1 5.9
48 8 8 4 35.512 71.023 1.32608 12.7 1.2 1.1 5.9
49 11 5 0 35.795 71.59 1.31697 32.2 3.0 2.9 5.9
50 12 2 0 36.078 72.155 1.30804 27.8 2.6 2.5 5.9
51 11 5 2 36.359 72.719 1.29929 102.9 9.6 9.1 6.0
52 10 6 4 36.64 73.28 1.29071 11.1 1.0 1.0 6.0
53 12 3 1 36.92 73.84 1.28231 41.2 3.8 3.6 6.0
54 11 6 1 37.478 74.955 1.26597 18.8 1.8 1.7 6.0
55 12 4 2 38.309 76.617 1.2426 25.9 2.4 2.3 6.0
56 9 7 6 38.584 77.168 1.23509 106.5 9.9 9.3 6.0
57 10 8 2 38.859 77.719 1.22771 19.5 1.8 1.7 6.0
58 9 8 5 39.134 78.268 1.22047 13.6 1.3 1.2 6.0
59 13 2 1 39.681 79.362 1.20636 37.1 3.5 3.2 6.0
60 13 3 0 40.227 80.453 1.19273 17.8 1.7 1.5 6.0
61 12 6 0 40.499 80.997 1.18608 25.7 2.4 2.2 6.1
62 13 3 2 40.77 81.541 1.17955 34.8 3.2 3.0 6.1
63 13 4 1 41.313 82.625 1.1668 29.5 2.8 2.6 6.1
64 8 8 8 42.123 84.247 1.14842 18.8 1.7 1.6 6.1
65 11 8 3 42.393 84.786 1.14249 65.7 6.1 5.7 6.1
66 13 5 2 42.932 85.864 1.13089 96.0 9.0 8.2 6.1
67 14 2 0 43.201 86.402 1.12522 49.8 4.6 4.3 6.1
68 11 7 6 44.008 88.015 1.10871 89.1 8.3 7.6 6.2
69 14 4 0 44.813 89.626 1.09291 22.0 2.1 1.9 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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