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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TINCALCONITE
2, f-borax, DF
Na(2)[B(4)O(5)(OH)(4)].2.3H(2)O
Hexagonal R 32 Z = 9
R32
30 .3 .15
Ref.Str.:
Luck R.L., Wang G. (2002)
* Amer. Mineral., 87, 350-354
L: $Na2 B4 O11.667 H8.667$
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.1402 alpha = 90.0
b = 11.1402 beta = 90.0
c = 21.207 gamma = 120.0
Unit cell volume (cub. angs.) = 2279.27
Molar volume ( cub.cm/mol.) = 152.54
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Na = 1.00
2 0.6695 0.0 0.0 0.0 Na = 1.00
3 0.3333 0.6667 0.074 0.0 Na = 1.00
4 0.2666 0.0925 0.1184 0.0 B = 1.00
5 0.4857 0.0919 0.1207 0.0 B = 1.00
6 0.3333 0.2002 0.1667 0.0 O = 1.00
7 0.4971 0.1222 0.1836 0.0 O = 1.00
8 0.3751 0.0749 0.0855 0.0 O = 1.00
9 0.1952 0.1294 0.0721 0.0 OH = 1.00
10 0.5832 0.0718 0.0915 0.0 OH = 1.00
11 0.8009 0.2443 0.9678 0.0 H(2)O = 1.00
12 0.3721 0.5508 0.1705 0.0 H(2)O = 0.33, H(2)O = 0.0
13 0.3826 0.5567 0.2089 0.0 H = 0.17, H = 0.0
14 0.3597 0.506 0.1375 0.0 H = 0.17, H = 0.0
15 0.149 0.148 0.0938 0.0 H = 1.00
16 0.646 0.088 0.1111 0.0 H = 1.00
17 0.846 0.277 0.0071 0.0 H = 1.00
18 0.863 0.255 0.9528 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.6695 0.0 0.0
3 3 0.3333 0.6667 0.074
4 4 0.2666 0.0925 0.1184
5 5 0.4857 0.0919 0.1207
6 6 0.3333 0.2002 0.1667
7 7 0.4971 0.1222 0.1836
8 8 0.3751 0.0749 0.0855
9 9 0.1952 0.1294 0.0721
10 10 0.5832 0.0718 0.0915
11 11 0.8009 0.2443 0.9678
12 12 0.3721 0.5508 0.1705
13 13 0.3826 0.5567 0.2089
14 14 0.3597 0.506 0.1375
15 15 0.149 0.148 0.0938
16 16 0.646 0.088 0.1111
17 17 0.846 0.277 0.0071
18 18 0.863 0.255 0.9528
19 2 0.0 0.6695 0.0
20 2 0.3305 0.3305 0.0
21 4 0.9075 0.1741 0.1184
22 4 0.8259 0.7334 0.1184
23 5 0.9081 0.3938 0.1207
24 5 0.6062 0.5143 0.1207
25 6 0.7998 0.1331 0.1667
26 6 0.8669 0.6667 0.1667
27 7 0.8778 0.3749 0.1836
28 7 0.6251 0.5029 0.1836
29 8 0.9251 0.3002 0.0855
30 8 0.6998 0.6249 0.0855
31 9 0.8706 0.0658 0.0721
32 9 0.9342 0.8048 0.0721
33 10 0.9282 0.5114 0.0915
34 10 0.4886 0.4168 0.0915
35 11 0.7557 0.5566 0.9678
36 11 0.4434 0.1991 0.9678
37 12 0.4492 0.8213 0.1705
38 12 0.1787 0.6279 0.1705
39 13 0.4433 0.8259 0.2089
40 13 0.1741 0.6174 0.2089
41 14 0.494 0.8537 0.1375
42 14 0.1463 0.6403 0.1375
43 15 0.852 0.001 0.0938
44 15 0.999 0.851 0.0938
45 16 0.912 0.558 0.1111
46 16 0.442 0.354 0.1111
47 17 0.723 0.569 0.0071
48 17 0.431 0.154 0.0071
49 18 0.745 0.608 0.9528
50 18 0.392 0.137 0.9528
51 1 0.6667 0.3333 0.3333
52 1 0.3333 0.6667 0.6667
53 2 0.6667 0.0028 0.3333
54 2 0.6638 0.9972 0.6667
55 3 0.0 0.0 0.4073
56 3 0.6667 0.3333 0.7407
57 4 0.5742 0.5074 0.4517
58 4 0.1592 0.4001 0.7851
59 5 0.5748 0.7271 0.454
60 5 0.9395 0.181 0.7874
61 6 0.4665 0.4665 0.5
62 6 0.2002 0.3333 0.8333
63 7 0.5445 0.7082 0.5169
64 7 0.9584 0.1696 0.8503
65 8 0.5918 0.6335 0.4188
66 8 0.0331 0.2916 0.7522
67 9 0.5373 0.3991 0.4054
68 9 0.2675 0.4715 0.7388
69 10 0.5949 0.8447 0.4248
70 10 0.8219 0.0835 0.7582
71 11 0.4224 0.8899 0.3011
72 11 0.7767 0.8658 0.6345
73 12 0.1159 0.1546 0.5038
74 12 0.512 0.2946 0.8372
75 13 0.11 0.1592 0.5422
76 13 0.5074 0.2841 0.8756
77 14 0.1607 0.187 0.4708
78 14 0.4796 0.307 0.8042
79 15 0.5187 0.3343 0.4271
80 15 0.3323 0.5177 0.7605
81 16 0.5787 0.8913 0.4444
82 16 0.7753 0.0207 0.7778
83 17 0.3897 0.9023 0.3404
84 17 0.7643 0.8207 0.6738
85 18 0.4117 0.9413 0.2861
86 18 0.7253 0.8037 0.6195
87 2 0.9972 0.6638 0.3333
88 2 0.0028 0.6667 0.6667
89 2 0.3362 0.3333 0.3333
90 2 0.3333 0.3361 0.6667
91 4 0.4926 0.0667 0.4517
92 4 0.5999 0.7592 0.7851
93 4 0.9333 0.4258 0.4517
94 4 0.2408 0.8407 0.7851
95 5 0.2729 0.8476 0.454
96 5 0.819 0.7586 0.7874
97 5 0.1524 0.4252 0.454
98 5 0.2414 0.0605 0.7874
99 6 0.5335 0.0 0.5
100 6 0.6666 0.8669 0.8333
101 6 0.0 0.5335 0.5
102 6 0.1331 0.7998 0.8333
103 7 0.2918 0.8362 0.5169
104 7 0.8304 0.7889 0.8503
105 7 0.1638 0.4555 0.5169
106 7 0.2111 0.0415 0.8503
107 8 0.3665 0.9582 0.4188
108 8 0.7084 0.7416 0.7522
109 8 0.0418 0.4082 0.4188
110 8 0.2584 0.9668 0.7522
111 9 0.6009 0.1381 0.4054
112 9 0.5285 0.7961 0.7388
113 9 0.8619 0.4627 0.4054
114 9 0.2039 0.7325 0.7388
115 10 0.1553 0.7501 0.4248
116 10 0.9165 0.7385 0.7582
117 10 0.2499 0.4051 0.4248
118 10 0.2615 0.178 0.7582
119 11 0.1101 0.5324 0.3011
120 11 0.1342 0.911 0.6345
121 11 0.4676 0.5776 0.3011
122 11 0.089 0.2232 0.6345
123 12 0.8454 0.9612 0.5038
124 12 0.7054 0.2175 0.8372
125 12 0.0388 0.8841 0.5038
126 12 0.7825 0.488 0.8372
127 13 0.8408 0.9507 0.5422
128 13 0.7159 0.2234 0.8756
129 13 0.0493 0.89 0.5422
130 13 0.7766 0.4926 0.8756
131 14 0.813 0.9736 0.4708
132 14 0.693 0.1727 0.8042
133 14 0.0264 0.8393 0.4708
134 14 0.8273 0.5203 0.8042
135 15 0.6657 0.1843 0.4271
136 15 0.4823 0.8147 0.7605
137 15 0.8157 0.4813 0.4271
138 15 0.1853 0.6676 0.7605
139 16 0.1087 0.6873 0.4444
140 16 0.9793 0.7547 0.7778
141 16 0.3127 0.4213 0.4444
142 16 0.2453 0.2246 0.7778
143 17 0.0977 0.4873 0.3404
144 17 0.1793 0.9437 0.6738
145 17 0.5127 0.6103 0.3404
146 17 0.0563 0.2356 0.6738
147 18 0.0587 0.4703 0.2861
148 18 0.1963 0.9217 0.6195
149 18 0.5297 0.5883 0.2861
150 18 0.0783 0.2747 0.6195
151 3 0.6667 0.3333 0.926
152 4 0.0925 0.2666 0.8816
153 5 0.0919 0.4857 0.8793
154 7 0.1222 0.4971 0.8164
155 8 0.0749 0.3751 0.9145
156 9 0.1294 0.1952 0.9279
157 10 0.0718 0.5832 0.9085
158 11 0.2443 0.8009 0.0322
159 12 0.5508 0.3721 0.8295
160 13 0.5567 0.3826 0.7911
161 14 0.506 0.3597 0.8625
162 15 0.148 0.149 0.9062
163 16 0.088 0.646 0.8889
164 17 0.277 0.846 0.9929
165 18 0.255 0.863 0.0472
166 4 0.1741 0.9075 0.8816
167 4 0.7334 0.8259 0.8816
168 5 0.3938 0.9081 0.8793
169 5 0.5143 0.6062 0.8793
170 7 0.3749 0.8778 0.8164
171 7 0.5029 0.6251 0.8164
172 8 0.3002 0.9251 0.9145
173 8 0.6249 0.6998 0.9145
174 9 0.0658 0.8706 0.9279
175 9 0.8048 0.9342 0.9279
176 10 0.5114 0.9282 0.9085
177 10 0.4168 0.4886 0.9085
178 11 0.5566 0.7557 0.0322
179 11 0.1991 0.4434 0.0322
180 12 0.8213 0.4492 0.8295
181 12 0.6279 0.1787 0.8295
182 13 0.8259 0.4433 0.7911
183 13 0.6174 0.1741 0.7911
184 14 0.8537 0.494 0.8625
185 14 0.6403 0.1463 0.8625
186 15 0.001 0.852 0.9062
187 15 0.851 0.999 0.9062
188 16 0.558 0.912 0.8889
189 16 0.354 0.442 0.8889
190 17 0.569 0.723 0.9929
191 17 0.154 0.431 0.9929
192 18 0.608 0.745 0.0472
193 18 0.137 0.392 0.0472
194 3 0.0 0.0 0.5927
195 3 0.3333 0.6667 0.2593
196 4 0.5074 0.5742 0.5483
197 4 0.4001 0.1592 0.2149
198 5 0.7271 0.5748 0.546
199 5 0.181 0.9395 0.2126
200 7 0.7082 0.5445 0.4831
201 7 0.1696 0.9584 0.1497
202 8 0.6335 0.5918 0.5812
203 8 0.2916 0.0331 0.2478
204 9 0.3991 0.5373 0.5946
205 9 0.4715 0.2675 0.2612
206 10 0.8447 0.5949 0.5752
207 10 0.0835 0.8219 0.2418
208 11 0.8899 0.4224 0.6989
209 11 0.8658 0.7767 0.3655
210 12 0.1546 0.1159 0.4962
211 12 0.2946 0.512 0.1628
212 13 0.1592 0.11 0.4578
213 13 0.2841 0.5074 0.1244
214 14 0.187 0.1607 0.5292
215 14 0.307 0.4796 0.1958
216 15 0.3343 0.5187 0.5729
217 15 0.5177 0.3323 0.2395
218 16 0.8913 0.5787 0.5556
219 16 0.0207 0.7753 0.2222
220 17 0.9023 0.3897 0.6596
221 17 0.8207 0.7643 0.3262
222 18 0.9413 0.4117 0.7139
223 18 0.8037 0.7253 0.3805
224 4 0.0667 0.4926 0.5483
225 4 0.7592 0.5999 0.2149
226 4 0.4258 0.9333 0.5483
227 4 0.8407 0.2408 0.2149
228 5 0.8476 0.2729 0.546
229 5 0.7586 0.819 0.2126
230 5 0.4252 0.1524 0.546
231 5 0.0605 0.2414 0.2126
232 7 0.8362 0.2918 0.4831
233 7 0.7889 0.8304 0.1497
234 7 0.4555 0.1638 0.4831
235 7 0.0415 0.2111 0.1497
236 8 0.9582 0.3665 0.5812
237 8 0.7416 0.7084 0.2478
238 8 0.4082 0.0418 0.5812
239 8 0.9668 0.2584 0.2478
240 9 0.1381 0.6009 0.5946
241 9 0.7961 0.5285 0.2612
242 9 0.4627 0.8619 0.5946
243 9 0.7325 0.2039 0.2612
244 10 0.7501 0.1553 0.5752
245 10 0.7385 0.9165 0.2418
246 10 0.4051 0.2499 0.5752
247 10 0.178 0.2615 0.2418
248 11 0.5324 0.1101 0.6989
249 11 0.911 0.1342 0.3655
250 11 0.5776 0.4676 0.6989
251 11 0.2232 0.089 0.3655
252 12 0.9612 0.8454 0.4962
253 12 0.2175 0.7054 0.1628
254 12 0.8841 0.0388 0.4962
255 12 0.488 0.7825 0.1628
256 13 0.9507 0.8408 0.4578
257 13 0.2234 0.7159 0.1244
258 13 0.89 0.0493 0.4578
259 13 0.4926 0.7766 0.1244
260 14 0.9736 0.813 0.5292
261 14 0.1727 0.693 0.1958
262 14 0.8393 0.0264 0.5292
263 14 0.5203 0.8273 0.1958
264 15 0.1843 0.6657 0.5729
265 15 0.8147 0.4823 0.2395
266 15 0.4813 0.8157 0.5729
267 15 0.6676 0.1853 0.2395
268 16 0.6873 0.1087 0.5556
269 16 0.7547 0.9793 0.2222
270 16 0.4213 0.3127 0.5556
271 16 0.2246 0.2453 0.2222
272 17 0.4873 0.0977 0.6596
273 17 0.9437 0.1793 0.3262
274 17 0.6103 0.5127 0.6596
275 17 0.2356 0.0563 0.3262
276 18 0.4703 0.0587 0.7139
277 18 0.9217 0.1963 0.3805
278 18 0.5883 0.5297 0.7139
279 18 0.2747 0.0783 0.3805
X-ray density (g/cm cub.) = 1.93
MU (1/cm) = 24.553 Mass attenuation coefficient (cm**2/g) = 12.74
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 2.976 6
2.4515 9
2.4515 9
2.4515 9
2.4515 9
2.4515 9
2.4515 9
2 Na 2.976 6
2.4695 10
2.456 11
2.5004 9
2.5003 9
2.4695 10
2.456 11
3 Na 2.976 9
2.5687 12
2.5686 12
2.5686 12
2.3428 11
2.3428 11
2.3428 11
2.4413 12
2.4412 12
2.4411 12
4 B 2.04 4
1.4656 6
1.491 8
1.4466 9
1.4922 7
5 B 2.04 3
1.3662 7
1.3703 8
1.3626 10
6 O 3.432 10
2.4079 7
2.4037 8
2.408 9
3.3324 7
2.6799 10
2.4079 7
2.4037 8
2.408 9
3.3324 7
2.6799 10
7 O 3.432 10
2.4079 6
2.3952 8
2.364 10
3.3324 6
3.1322 12
3.3833 11
3.2406 7
2.4107 8
2.4241 9
2.8332 9
8 O 3.432 8
2.4037 6
2.3952 7
2.3838 9
2.3392 10
3.3624 10
2.7696 11
2.8758 11
2.4107 7
9 OH 3.48 9
2.408 6
2.3838 8
3.319 9
3.319 9
3.2617 10
3.3157 11
3.3111 9
2.4241 7
2.8334 7
10 OH 3.48 8
2.364 7
2.3392 8
3.4345 11
2.6799 6
3.3624 8
3.2617 9
2.9424 12
3.2219 12
11 H(2)O 3.6 8
3.4345 10
2.7696 8
3.3157 9
3.3834 7
2.9289 12
2.8758 8
3.5779 9
3.3826 12
12 H(2)O,H(2)O 3.6 10
3.1322 7
2.9424 10
2.6888 12
2.6888 12
2.9286 11
3.3826 11
0.7655 12
3.2219 10
2.9881 12
2.2415 12
13 H ,H 1.8 2
0.8207 12
1.2945 12
14 H ,H 1.8 2
0.8301 12
0.932 12
15 H 1.8 1
0.7914 9
16 H 1.8 1
0.754 10
17 H 1.8 1
0.947 11
18 H 1.8 1
0.7152 11
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 0 1 5.032 10.064 0.057 256.97 6 82.3 200.9
2 1 0 -2 6.197 12.394 0.07 168.68 6 17.9 6.2
3 0 0 3 6.256 12.511 0.071 165.47 2 85.5 46.6
4 1 1 0 7.949 15.898 0.09 101.64 6 80.9 76.8
5 2 0 -1 9.425 18.85 0.106 71.65 6 122.3 123.7
6 1 0 4 9.543 19.085 0.108 69.85 6 58.1 27.2
7 2 0 2 10.104 20.207 0.114 62.07 6 181.3 235.6
8 1 1 3 10.14 20.281 0.114 61.61 12 98.9 139.1
9 1 0 -5 11.443 22.885 0.129 47.93 6 81.3 36.6
10 2 1 1 12.377 24.753 0.139 40.66 12 57.1 30.6
11 2 0 -4 12.468 24.935 0.14 40.04 6 95.5 42.2
12 0 0 6 12.588 25.175 0.141 39.24 2 79.6 9.6
13 2 1 -2 12.908 25.815 0.145 37.22 12 165.1 234.3
14 3 0 0 13.858 27.717 0.155 32.02 6 3.4 0.0
15 2 0 5 13.994 27.989 0.157 31.36 6 70.6 18.1
16 2 1 4 14.855 29.711 0.166 27.61 12 120.2 92.2
17 1 1 6 14.958 29.915 0.168 27.21 12 81.5 41.7
18 3 0 -3 15.257 30.513 0.171 26.08 6 85.2 21.9
19 3 0 3 15.257 30.513 0.171 26.08 6 354.7 379.0
20 1 0 7 15.456 30.912 0.173 25.36 6 74.6 16.3
21 2 2 0 16.056 32.112 0.18 23.36 6 58.5 9.2
22 2 1 -5 16.175 32.35 0.181 22.99 12 125.4 83.5
23 3 1 -1 16.867 33.734 0.188 21.0 12 58.8 16.8
24 3 1 2 17.271 34.542 0.193 19.94 12 142.0 92.9
25 2 2 3 17.294 34.587 0.193 19.88 12 35.5 5.8
26 2 0 -7 17.472 34.944 0.195 19.44 6 61.8 8.6
27 1 0 -8 17.538 35.077 0.196 19.28 6 123.2 33.8
28 4 0 1 18.749 37.498 0.209 16.66 6 6.0 0.1
29 3 1 -4 18.812 37.623 0.209 16.53 12 117.0 52.2
30 3 0 -6 18.895 37.789 0.21 16.37 6 56.4 6.0
31 3 0 6 18.895 37.789 0.21 16.37 6 66.7 8.4
32 0 0 9 19.081 38.161 0.212 16.02 2 8.8 0.0
33 4 0 -2 19.118 38.237 0.213 15.95 6 23.4 1.0
34 2 1 7 19.302 38.605 0.215 15.62 12 121.0 52.8
35 2 0 8 19.364 38.727 0.215 15.51 6 61.5 6.8
36 3 1 5 19.899 39.799 0.221 14.6 12 176.5 105.0
37 3 2 1 20.482 40.963 0.227 13.69 12 23.1 1.7
38 4 0 4 20.54 41.08 0.228 13.6 6 198.4 61.9
39 2 2 6 20.617 41.234 0.229 13.49 12 205.9 132.1
40 1 1 9 20.79 41.58 0.23 13.24 12 79.3 19.2
41 3 2 -2 20.825 41.651 0.231 13.19 12 58.4 10.4
42 2 1 -8 21.054 42.108 0.233 12.87 12 94.3 26.5
43 4 1 0 21.462 42.923 0.237 12.33 12 103.7 30.6
44 4 0 -5 21.555 43.109 0.238 12.21 6 24.3 0.8
45 1 0 10 21.832 43.665 0.241 11.87 6 56.3 4.3
46 3 2 4 22.156 44.312 0.245 11.48 12 80.0 17.0
47 4 1 -3 22.443 44.885 0.248 11.15 12 9.8 0.2
48 4 1 3 22.443 44.885 0.248 11.15 12 135.1 47.0
49 3 1 -7 22.586 45.173 0.249 10.99 12 213.5 115.7
50 3 2 -5 23.114 46.227 0.255 10.43 12 98.7 23.5
51 2 0 -10 23.376 46.753 0.258 10.17 6 256.5 77.3
52 5 0 -1 23.632 47.263 0.26 9.92 6 29.6 1.0
53 3 0 -9 23.907 47.814 0.263 9.66 6 132.6 19.6
54 3 0 9 23.907 47.814 0.263 9.66 6 81.1 7.3
55 5 0 2 23.939 47.878 0.263 9.64 6 72.2 5.8
56 1 0 -11 24.044 48.088 0.264 9.54 6 36.0 1.4
57 4 0 7 24.093 48.185 0.265 9.5 6 46.0 2.3
58 3 1 8 24.144 48.288 0.266 9.45 12 43.0 4.0
59 3 3 0 24.511 49.022 0.269 9.13 6 248.6 65.2
60 2 1 10 24.846 49.692 0.273 8.85 12 67.9 9.4
61 4 2 -1 25.09 50.179 0.275 8.66 12 40.0 3.2
62 5 0 -4 25.139 50.279 0.276 8.62 6 25.2 0.6
63 4 1 -6 25.205 50.411 0.276 8.57 12 128.6 32.7
64 4 1 6 25.205 50.411 0.276 8.57 12 64.8 8.3
65 2 2 9 25.353 50.707 0.278 8.46 12 64.7 8.2
66 4 2 2 25.384 50.767 0.278 8.43 12 187.5 68.5
67 3 3 3 25.4 50.8 0.278 8.42 12 189.3 69.7
68 2 0 11 25.485 50.969 0.279 8.36 6 13.7 0.2
69 3 2 7 25.531 51.062 0.28 8.32 12 41.2 3.3
70 4 0 -8 25.58 51.16 0.28 8.29 6 169.4 27.4
71 0 0 12 25.84 51.681 0.283 8.1 2 273.6 23.3
72 5 0 5 26.013 52.026 0.285 7.98 6 177.7 29.1
73 5 1 1 26.488 52.977 0.29 7.65 12 31.1 1.7
74 4 2 -4 26.536 53.072 0.29 7.62 12 61.5 6.7
75 5 1 -2 26.771 53.543 0.292 7.47 12 27.1 1.3
76 2 1 -11 26.869 53.737 0.293 7.41 12 17.2 0.5
77 3 2 -8 26.961 53.921 0.294 7.35 12 71.2 8.6
78 1 1 12 27.211 54.423 0.297 7.2 12 66.3 7.3
79 4 2 5 27.378 54.756 0.299 7.1 12 37.9 2.4
80 3 1 -10 27.611 55.222 0.301 6.96 12 123.2 24.4
81 5 1 4 27.883 55.767 0.304 6.81 12 155.5 38.0
82 3 3 6 27.945 55.89 0.304 6.78 12 47.1 3.5
83 5 0 -7 28.248 56.497 0.307 6.61 6 125.9 12.1
84 1 0 13 28.613 57.226 0.311 6.42 6 93.4 6.5
85 6 0 0 28.623 57.246 0.311 6.42 6 81.4 4.9
86 5 1 -5 28.699 57.397 0.312 6.38 12 39.7 2.3
87 4 0 10 28.924 57.849 0.314 6.27 6 42.5 1.3
88 4 3 1 29.144 58.288 0.316 6.16 12 52.0 3.9
89 4 1 -9 29.383 58.765 0.318 6.05 12 148.8 31.0
90 4 1 9 29.383 58.765 0.318 6.05 12 31.5 1.4
91 4 3 -2 29.41 58.82 0.319 6.04 12 104.8 15.3
92 6 0 -3 29.425 58.85 0.319 6.03 6 90.3 5.7
93 6 0 3 29.425 58.85 0.319 6.03 6 24.1 0.4
94 3 1 11 29.501 59.003 0.32 5.99 12 26.6 1.0
95 4 2 -7 29.544 59.087 0.32 5.98 12 59.0 4.8
96 5 0 8 29.588 59.176 0.321 5.96 6 27.6 0.5
97 3 0 -12 29.824 59.648 0.323 5.85 6 69.1 3.2
98 3 0 12 29.824 59.648 0.323 5.85 6 199.7 26.9
99 2 0 -13 29.898 59.796 0.324 5.82 6 14.9 0.1
100 5 2 0 29.908 59.816 0.324 5.81 12 67.8 6.2
101 3 2 10 30.201 60.402 0.327 5.69 12 28.9 1.1
102 4 3 4 30.459 60.918 0.329 5.58 12 44.8 2.6
103 5 2 -3 30.689 61.377 0.331 5.49 12 67.5 5.8
104 5 2 3 30.689 61.377 0.331 5.49 12 48.2 3.0
105 4 0 -11 30.763 61.527 0.332 5.46 6 48.8 1.5
106 5 1 7 30.804 61.609 0.332 5.44 12 85.2 9.1
107 4 2 8 30.848 61.696 0.333 5.43 12 50.1 3.1
108 1 0 -14 30.98 61.96 0.334 5.38 6 90.9 5.1
109 2 2 12 31.078 62.157 0.335 5.34 12 37.9 1.8
110 2 1 13 31.15 62.3 0.336 5.31 12 73.1 6.6
111 4 3 -5 31.232 62.463 0.337 5.28 12 74.5 6.8
112 6 1 -1 31.655 63.311 0.341 5.13 12 70.9 5.9
113 6 0 -6 31.755 63.51 0.342 5.09 6 176.5 18.3
114 6 0 6 31.755 63.51 0.342 5.09 6 38.5 0.9
115 3 3 9 31.883 63.765 0.343 5.05 12 65.1 4.9
116 6 1 2 31.909 63.817 0.343 5.04 12 50.9 3.0
117 3 2 -11 31.996 63.992 0.344 5.01 12 1.1 0.0
118 5 1 -8 32.078 64.157 0.345 4.98 12 73.1 6.2
119 2 0 14 32.208 64.415 0.346 4.94 6 29.7 0.5
120 5 0 -10 32.664 65.329 0.35 4.79 6 25.5 0.4
121 6 1 -4 32.911 65.822 0.353 4.71 12 104.1 11.8
122 5 2 -6 32.967 65.934 0.353 4.69 12 36.9 1.5
123 5 2 6 32.967 65.934 0.353 4.69 12 77.3 6.5
124 0 0 15 33.013 66.026 0.354 4.68 2 4.7 0.0
125 4 3 7 33.242 66.485 0.356 4.61 12 14.6 0.2
126 2 1 -14 33.411 66.822 0.357 4.56 12 32.8 1.1
127 3 1 -13 33.574 67.149 0.359 4.52 12 59.4 3.7
128 4 4 0 33.584 67.167 0.359 4.51 6 23.1 0.3
129 6 1 5 33.653 67.305 0.36 4.49 12 29.8 0.9
130 4 2 -10 33.859 67.718 0.362 4.44 12 54.1 3.0
131 5 3 -1 34.06 68.121 0.364 4.38 12 95.5 9.2
132 7 0 1 34.06 68.121 0.364 4.38 6 132.8 8.9
133 1 1 15 34.202 68.403 0.365 4.35 12 57.2 3.3
134 5 3 2 34.304 68.608 0.366 4.32 12 49.2 2.4
135 7 0 -2 34.304 68.608 0.366 4.32 6 89.3 4.0
136 4 4 3 34.318 68.636 0.366 4.31 12 54.1 2.9
137 5 0 11 34.388 68.777 0.367 4.3 6 117.0 6.8
138 4 3 -8 34.468 68.936 0.367 4.28 12 1.4 0.0
139 4 1 -12 34.686 69.371 0.369 4.22 12 57.8 3.3
140 4 1 12 34.686 69.371 0.369 4.22 12 63.0 3.9
141 4 0 13 34.753 69.507 0.37 4.2 6 12.0 0.1
142 5 1 10 35.034 70.067 0.373 4.14 12 113.0 12.2
143 6 2 1 35.232 70.463 0.374 4.09 12 20.0 0.4
144 5 3 -4 35.272 70.544 0.375 4.08 12 62.6 3.7
145 7 0 4 35.272 70.544 0.375 4.08 6 81.3 3.1
146 6 0 -9 35.447 70.895 0.376 4.04 6 1.4 0.0
147 6 0 9 35.447 70.895 0.376 4.04 6 13.3 0.1
148 6 2 -2 35.472 70.944 0.377 4.03 12 70.0 4.6
149 4 2 11 35.555 71.11 0.377 4.02 12 52.1 2.5
150 6 1 -7 35.593 71.186 0.378 4.01 12 60.2 3.4
151 3 1 14 35.756 71.512 0.379 3.97 12 70.7 4.6
152 3 2 13 35.915 71.829 0.381 3.94 12 37.8 1.3
153 1 0 16 35.917 71.834 0.381 3.94 6 22.5 0.2
154 5 3 5 35.991 71.981 0.381 3.92 12 45.2 1.9
155 7 0 -5 35.991 71.981 0.381 3.92 6 44.4 0.9
156 6 2 4 36.426 72.853 0.385 3.83 12 29.0 0.7
157 4 4 6 36.48 72.959 0.386 3.82 12 48.1 2.0
158 3 0 -15 36.524 73.047 0.386 3.81 6 128.9 7.3
159 3 0 15 36.524 73.047 0.386 3.81 6 92.7 3.8
160 5 2 -9 36.599 73.198 0.387 3.8 12 81.5 5.8
161 5 2 9 36.599 73.198 0.387 3.8 12 46.1 1.9
162 5 1 -11 36.705 73.411 0.388 3.78 12 26.8 0.6
163 6 1 8 36.783 73.565 0.389 3.76 12 43.7 1.7
164 4 0 -14 36.904 73.808 0.39 3.74 6 41.2 0.7
165 3 3 12 36.995 73.989 0.391 3.72 12 78.4 5.3
166 2 0 -16 37.063 74.126 0.391 3.71 6 8.0 0.0
167 7 1 0 37.07 74.139 0.391 3.71 12 77.4 5.1
168 6 2 -5 37.136 74.271 0.392 3.69 12 99.7 8.5
169 4 3 10 37.334 74.667 0.394 3.66 12 76.9 5.0
170 2 2 15 37.663 75.325 0.397 3.6 12 42.0 1.5
171 7 1 -3 37.774 75.549 0.398 3.58 12 21.6 0.4
172 7 1 3 37.774 75.549 0.398 3.58 12 90.6 6.8
173 5 3 -7 37.879 75.759 0.399 3.56 12 61.5 3.1
174 7 0 7 37.879 75.759 0.399 3.56 6 67.0 1.8
175 3 2 -14 38.039 76.078 0.4 3.54 12 10.6 0.1
176 5 0 -13 38.194 76.388 0.401 3.51 6 24.5 0.2
177 2 1 16 38.196 76.392 0.401 3.51 12 67.7 3.7
178 1 0 -17 38.507 77.015 0.404 3.46 6 31.4 0.4
179 5 4 1 38.655 77.311 0.405 3.44 12 39.4 1.2
180 5 4 -2 38.888 77.775 0.408 3.41 12 74.9 4.4
181 4 3 -11 38.968 77.935 0.408 3.39 12 41.2 1.3
182 6 2 7 39.005 78.009 0.409 3.39 12 32.0 0.8
183 5 3 8 39.044 78.087 0.409 3.38 12 35.7 1.0
184 7 0 -8 39.044 78.087 0.409 3.38 6 40.0 0.6
185 4 2 -13 39.316 78.632 0.411 3.34 12 36.8 1.0
186 6 3 0 39.325 78.65 0.411 3.34 12 117.7 10.7
187 6 1 -10 39.584 79.168 0.414 3.31 12 25.4 0.5
188 2 0 17 39.627 79.254 0.414 3.3 6 56.1 1.2
189 8 0 -1 39.774 79.548 0.415 3.28 6 49.0 0.9
190 5 4 4 39.813 79.625 0.416 3.28 12 49.7 1.9
191 7 1 -6 39.864 79.729 0.416 3.27 12 107.5 8.7
192 7 1 6 39.864 79.729 0.416 3.27 12 100.5 7.6
193 4 4 9 39.981 79.961 0.417 3.26 12 70.9 3.8
194 8 0 2 40.004 80.008 0.417 3.25 6 12.7 0.1
195 6 3 -3 40.017 80.034 0.417 3.25 12 56.3 2.4
196 6 3 3 40.017 80.034 0.417 3.25 12 45.5 1.6
197 6 2 -8 40.159 80.318 0.419 3.23 12 71.0 3.8
198 5 0 14 40.277 80.554 0.42 3.22 6 60.7 1.4
199 6 0 -12 40.365 80.731 0.42 3.21 6 111.6 4.6
200 6 0 12 40.365 80.731 0.42 3.21 6 119.4 5.3
201 5 1 13 40.43 80.859 0.421 3.2 12 99.9 7.4
202 3 1 -16 40.432 80.863 0.421 3.2 12 7.5 0.0
203 5 4 -5 40.503 81.006 0.422 3.19 12 42.4 1.3
204 2 1 -17 40.738 81.477 0.424 3.17 12 64.7 3.1
205 0 0 18 40.828 81.657 0.424 3.16 2 30.6 0.1
206 7 2 -1 40.884 81.769 0.425 3.15 12 34.0 0.8
207 8 0 -4 40.923 81.846 0.425 3.15 6 34.3 0.4
208 4 1 -15 41.017 82.034 0.426 3.14 12 34.3 0.9
209 4 1 15 41.017 82.034 0.426 3.14 12 174.1 22.0
210 7 2 2 41.113 82.227 0.427 3.13 12 74.9 4.0
211 6 1 11 41.192 82.385 0.427 3.12 12 29.6 0.6
212 4 2 14 41.385 82.769 0.429 3.1 12 100.9 7.3
213 5 2 -12 41.472 82.945 0.43 3.09 12 57.3 2.3
214 5 2 12 41.472 82.945 0.43 3.09 12 162.1 18.8
215 4 0 16 41.538 83.077 0.43 3.08 6 0.2 0.0
216 8 0 5 41.609 83.218 0.431 3.08 6 108.8 4.2
217 5 3 -10 41.801 83.602 0.433 3.06 12 36.3 0.9
218 7 0 10 41.801 83.602 0.433 3.06 6 65.9 1.5
219 1 1 18 41.933 83.866 0.434 3.04 12 73.4 3.8
220 7 2 -4 42.027 84.054 0.435 3.04 12 15.1 0.2
221 6 3 -6 42.078 84.156 0.435 3.03 12 45.8 1.5
222 6 3 6 42.078 84.156 0.435 3.03 12 57.7 2.3
223 5 4 7 42.331 84.663 0.437 3.01 12 38.9 1.1
224 5 1 -14 42.487 84.973 0.438 3.0 12 95.7 6.3
225 4 3 13 42.638 85.276 0.44 2.98 12 70.2 3.4
226 3 2 16 42.64 85.28 0.44 2.98 12 87.3 5.3
227 7 2 5 42.71 85.42 0.44 2.98 12 30.8 0.7
228 6 2 10 42.901 85.803 0.442 2.96 12 74.0 3.7
229 3 1 17 42.944 85.888 0.442 2.96 12 128.5 11.3
230 8 1 1 43.088 86.177 0.443 2.95 12 25.5 0.4
231 3 3 15 43.22 86.44 0.445 2.94 12 81.1 4.5
232 7 1 -9 43.292 86.585 0.445 2.93 12 44.2 1.3
233 7 1 9 43.292 86.585 0.445 2.93 12 57.0 2.2
234 8 1 -2 43.316 86.631 0.445 2.93 12 53.4 1.9
235 5 3 11 43.394 86.788 0.446 2.92 12 82.1 4.6
236 7 0 -11 43.394 86.788 0.446 2.92 6 68.1 1.6
237 8 0 -7 43.43 86.861 0.446 2.92 6 37.0 0.5
238 5 4 -8 43.468 86.937 0.447 2.92 12 54.6 2.0
239 5 5 0 43.744 87.489 0.449 2.9 6 61.7 1.3
240 1 0 19 44.005 88.01 0.451 2.88 6 31.5 0.3
241 4 0 -17 44.041 88.082 0.451 2.88 6 42.6 0.6
242 3 0 -18 44.13 88.26 0.452 2.88 6 4.8 0.0
243 3 0 18 44.13 88.26 0.452 2.88 6 75.0 1.9
244 6 4 -1 44.185 88.371 0.452 2.87 12 141.6 13.3
245 8 1 4 44.224 88.447 0.453 2.87 12 12.8 0.1
246 6 4 2 44.412 88.825 0.454 2.86 12 9.3 0.1
247 5 5 3 44.425 88.85 0.454 2.86 12 66.7 2.9
248 6 2 -11 44.491 88.981 0.455 2.86 12 86.9 5.0
249 7 2 -7 44.527 89.053 0.455 2.85 12 25.7 0.4
250 8 0 8 44.565 89.13 0.455 2.85 6 5.7 0.0
251 4 3 -14 44.681 89.363 0.456 2.84 12 25.1 0.4
252 4 4 12 44.768 89.537 0.457 2.84 12 137.0 12.3
253 6 1 -13 44.832 89.664 0.458 2.84 12 14.2 0.1
254 5 0 -16 44.834 89.668 0.458 2.84 6 88.8 2.6
255 8 1 -5 44.904 89.808 0.458 2.83 12 87.4 5.0
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 0 1 5.032 10.064 8.78167 200.9 50.1 50.8 5.6
2 1 0 2 6.197 12.394 7.13599 6.2 1.6 1.6 5.6
3 0 0 3 6.256 12.511 7.069 46.6 11.6 11.8 5.6
4 1 1 0 7.949 15.898 5.5701 76.8 19.2 19.4 5.6
5 2 0 1 9.425 18.85 4.7037 123.7 30.9 31.1 5.6
6 1 0 4 9.543 19.085 4.64639 27.2 6.8 6.8 5.6
7 2 0 2 10.104 20.207 4.39083 235.6 58.8 59.2 5.6
8 1 1 3 10.14 20.281 4.37509 139.1 34.7 35.0 5.6
9 1 0 5 11.443 22.885 3.88275 36.6 9.1 9.2 5.6
10 2 1 1 12.377 24.753 3.59375 30.6 7.6 7.7 5.6
11 2 0 4 12.468 24.935 3.56799 42.2 10.5 10.6 5.6
12 0 0 6 12.588 25.175 3.5345 9.6 2.4 2.4 5.6
13 2 1 2 12.908 25.815 3.44828 234.3 58.5 58.7 5.6
14 2 0 5 13.994 27.989 3.18525 18.1 4.5 4.5 5.6
15 2 1 4 14.855 29.711 3.00445 92.2 23.0 23.0 5.6
16 1 1 6 14.958 29.915 2.98437 41.7 10.4 10.4 5.6
17 3 0 3 15.257 30.513 2.92722 400.8 100.0 100.0 5.6
18 1 0 7 15.456 30.912 2.89041 16.3 4.1 4.1 5.6
19 2 2 0 16.056 32.112 2.78505 9.2 2.3 2.3 5.6
20 2 1 5 16.175 32.35 2.76507 83.5 20.8 20.8 5.6
21 3 1 1 16.867 33.734 2.65474 16.8 4.2 4.2 5.7
22 3 1 2 17.271 34.542 2.59446 98.7 24.6 24.5 5.7
23 2 0 7 17.472 34.944 2.56556 8.6 2.1 2.1 5.7
24 1 0 8 17.538 35.077 2.55614 33.8 8.4 8.4 5.7
25 3 1 4 18.812 37.623 2.38879 52.2 13.0 13.0 5.7
26 3 0 6 18.895 37.789 2.37866 14.4 3.6 3.6 5.7
27 2 1 7 19.302 38.605 2.33026 52.8 13.2 13.1 5.7
28 2 0 8 19.364 38.727 2.32319 6.8 1.7 1.7 5.7
29 3 1 5 19.899 39.799 2.26307 105.0 26.2 26.0 5.7
30 4 0 4 20.54 41.08 2.19542 61.9 15.4 15.3 5.7
31 2 2 6 20.617 41.234 2.18755 132.1 33.0 32.6 5.7
32 1 1 9 20.79 41.58 2.17014 19.2 4.8 4.7 5.7
33 3 2 2 20.825 41.651 2.16664 10.4 2.6 2.6 5.7
34 2 1 8 21.054 42.108 2.14417 26.5 6.6 6.5 5.7
35 4 1 0 21.462 42.923 2.1053 30.6 7.6 7.6 5.7
36 1 0 10 21.832 43.665 2.07125 4.3 1.1 1.1 5.7
37 3 2 4 22.156 44.312 2.04249 17.0 4.2 4.2 5.7
38 4 1 3 22.443 44.885 2.01772 47.0 11.7 11.6 5.7
39 3 1 7 22.586 45.173 2.00554 115.7 28.9 28.5 5.7
40 3 2 5 23.114 46.227 1.96223 23.5 5.9 5.8 5.7
41 2 0 10 23.376 46.753 1.94137 77.3 19.3 19.0 5.7
42 3 0 9 23.907 47.814 1.90072 27.0 6.7 6.6 5.7
43 5 0 2 23.939 47.878 1.89836 5.8 1.4 1.4 5.7
44 3 1 8 24.144 48.288 1.8832 4.0 1.0 1.0 5.7
45 3 3 0 24.511 49.022 1.8567 65.2 16.3 16.0 5.7
46 2 1 10 24.846 49.692 1.83322 9.4 2.4 2.3 5.7
47 4 1 6 25.205 50.411 1.80875 41.0 10.2 10.0 5.8
48 2 2 9 25.353 50.707 1.79887 8.2 2.0 2.0 5.8
49 3 3 3 25.4 50.8 1.79579 138.2 34.5 33.8 5.8
50 4 0 8 25.58 51.16 1.784 27.4 6.8 6.7 5.8
51 0 0 12 25.84 51.681 1.76725 23.3 5.8 5.7 5.8
52 5 0 5 26.013 52.026 1.75633 29.1 7.3 7.1 5.8
53 4 2 4 26.536 53.072 1.72414 6.7 1.7 1.6 5.8
54 3 2 8 26.961 53.921 1.69898 8.6 2.1 2.1 5.8
55 1 1 12 27.211 54.423 1.6845 7.3 1.8 1.8 5.8
56 3 1 10 27.611 55.222 1.66201 24.4 6.1 5.9 5.8
57 5 1 4 27.883 55.767 1.64704 38.0 9.5 9.2 5.8
58 5 0 7 28.248 56.497 1.62748 12.1 3.0 2.9 5.8
59 1 0 13 28.613 57.226 1.60848 11.4 2.8 2.8 5.8
60 4 1 9 29.383 58.765 1.56995 47.7 11.9 11.5 5.8
61 6 0 3 29.425 58.85 1.5679 6.1 1.5 1.5 5.8
62 4 2 7 29.544 59.087 1.56217 4.8 1.2 1.2 5.8
63 3 0 12 29.824 59.648 1.5488 30.2 7.5 7.3 5.8
64 5 2 0 29.908 59.816 1.54487 6.2 1.5 1.5 5.8
65 5 2 3 30.689 61.377 1.50925 8.7 2.2 2.1 5.8
66 5 1 7 30.804 61.609 1.50413 9.1 2.3 2.2 5.8
67 1 0 14 30.98 61.96 1.49645 5.1 1.3 1.2 5.8
68 2 1 13 31.15 62.3 1.48909 6.6 1.6 1.6 5.8
69 4 3 5 31.232 62.463 1.4856 6.8 1.7 1.6 5.8
70 6 1 1 31.655 63.311 1.46773 5.9 1.5 1.4 5.9
71 6 0 6 31.755 63.51 1.46361 19.2 4.8 4.6 5.9
72 3 3 9 31.883 63.765 1.45836 8.0 2.0 1.9 5.9
73 5 1 8 32.078 64.157 1.4504 6.2 1.5 1.5 5.9
74 6 1 4 32.911 65.822 1.41768 11.8 2.9 2.8 5.9
75 5 2 6 32.967 65.934 1.41556 8.0 2.0 1.9 5.9
76 5 3 1 34.06 68.121 1.37534 18.2 4.5 4.3 5.9
77 4 4 3 34.318 68.636 1.36627 9.3 2.3 2.2 5.9
78 5 0 11 34.388 68.777 1.36381 6.8 1.7 1.6 5.9
79 4 1 12 34.686 69.371 1.35357 7.1 1.8 1.7 5.9
80 5 1 10 35.034 70.067 1.34182 12.2 3.0 2.9 5.9
81 5 3 4 35.272 70.544 1.33391 6.8 1.7 1.6 5.9
82 6 2 2 35.472 70.944 1.32737 4.6 1.1 1.1 5.9
83 3 1 14 35.756 71.512 1.31821 4.6 1.1 1.1 5.9
84 3 0 15 36.524 73.047 1.29425 11.1 2.8 2.6 6.0
85 5 2 9 36.599 73.198 1.29195 7.7 1.9 1.8 6.0
86 3 3 12 36.995 73.989 1.28009 5.3 1.3 1.2 6.0
87 7 1 0 37.07 74.139 1.27787 5.1 1.3 1.2 6.0
88 6 2 5 37.136 74.271 1.27592 8.5 2.1 2.0 6.0
89 4 3 10 37.334 74.667 1.27014 5.0 1.2 1.2 6.0
90 7 1 3 37.774 75.549 1.25749 6.8 1.7 1.6 6.0
91 5 3 7 37.879 75.759 1.25452 5.0 1.2 1.2 6.0
92 5 4 2 38.888 77.775 1.22696 4.4 1.1 1.0 6.0
93 6 3 0 39.325 78.65 1.2155 11.8 2.9 2.7 6.0
94 7 1 6 39.864 79.729 1.20174 16.4 4.1 3.8 6.0
95 6 0 12 40.365 80.731 1.18933 9.9 2.5 2.3 6.1
96 5 1 13 40.43 80.859 1.18776 7.4 1.9 1.7 6.1
97 4 1 15 41.017 82.034 1.1737 22.0 5.5 5.1 6.1
98 7 2 2 41.113 82.227 1.17144 4.0 1.0 0.9 6.1
99 4 2 14 41.385 82.769 1.16513 7.3 1.8 1.7 6.1
100 5 2 12 41.472 82.945 1.16311 21.1 5.3 4.9 6.1
101 8 0 5 41.609 83.218 1.15998 4.2 1.0 1.0 6.1
102 5 1 14 42.487 84.973 1.14045 6.3 1.6 1.5 6.1
103 3 2 16 42.64 85.28 1.13713 8.7 2.2 2.0 6.1
104 3 1 17 42.944 85.888 1.13064 11.3 2.8 2.6 6.1
105 3 3 15 43.22 86.44 1.12482 4.5 1.1 1.0 6.1
106 8 1 2 43.316 86.631 1.12283 5.5 1.4 1.2 6.1
107 5 3 11 43.394 86.788 1.1212 6.1 1.5 1.4 6.1
108 6 4 1 44.185 88.371 1.10516 13.3 3.3 3.0 6.2
109 6 2 11 44.491 88.981 1.09916 5.0 1.2 1.1 6.2
110 4 4 12 44.768 89.537 1.09377 12.3 3.1 2.8 6.2
111 8 1 5 44.904 89.808 1.09117 5.0 1.2 1.1 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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