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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CETINEITE
1, DF
(K,Na)(3.5)[Sb(2)O(3)](3)[SbS(3)](OH)(0.5).2.3H(2)O
Hexagonal P 6(3) Z = 2
R =0.032 NR =1157
16 .1 .1989
Ref.Str.:
Sabelli C., Nakai I., Katsura S. (1988)
* Amer. Mineral., 73, 398-404
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.2513 alpha = 90.0
b = 14.2513 beta = 90.0
c = 5.59 gamma = 120.0
Unit cell volume (cub. angs.) = 983.22
Molar volume ( cub.cm/mol.) = 296.12
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.8736 1.62 Sb = 0.5 , Sb = 0.0
2 0.3333 0.6667 0.6262 1.71 Sb = 0.5 , Sb = 0.0
3 0.1652 0.4483 0.2507 1.65 Sb = 1.00
4 0.3867 0.4029 0.2518 1.33 Sb = 1.00
5 0.1814 0.2814 0.7471 3.13 K = 0.8 , K = 0.0
6 0.362 0.5293 0.7187 4.37 S = 1.00
7 0.0 0.0 0.4904 1.36 Na = 0.58, Na = 0.0
8 0.2275 0.3513 0.2334 1.62 O = 1.00
9 0.0646 0.3541 0.502 1.47 O = 1.00
10 0.0595 0.3589 0.9998 2.92 O = 1.00
11 0.092 0.1401 0.223 7.68 O = 0.94, O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.8736
2 2 0.3333 0.6667 0.6262
3 3 0.1652 0.4483 0.2507
4 4 0.3867 0.4029 0.2518
5 5 0.1814 0.2814 0.7471
6 6 0.362 0.5293 0.7187
7 7 0.0 0.0 0.4904
8 8 0.2275 0.3513 0.2334
9 9 0.0646 0.3541 0.502
10 10 0.0595 0.3589 0.9998
11 11 0.092 0.1401 0.223
12 3 0.5517 0.7169 0.2507
13 3 0.2831 0.8349 0.2507
14 4 0.5971 0.9838 0.2518
15 4 0.0162 0.6133 0.2518
16 5 0.7186 0.9 0.7471
17 5 0.1 0.8186 0.7471
18 6 0.4707 0.8327 0.7187
19 6 0.1673 0.638 0.7187
20 8 0.6487 0.8762 0.2334
21 8 0.1238 0.7725 0.2334
22 9 0.6459 0.7105 0.502
23 9 0.2895 0.9354 0.502
24 10 0.6411 0.7006 0.9998
25 10 0.2994 0.9405 0.9998
26 11 0.8599 0.9519 0.223
27 11 0.0481 0.908 0.223
28 1 0.6667 0.3333 0.3736
29 2 0.6667 0.3333 0.1262
30 3 0.8349 0.5517 0.7507
31 4 0.6133 0.5971 0.7518
32 5 0.8186 0.7186 0.2471
33 6 0.638 0.4707 0.2187
34 7 0.0 0.0 0.9904
35 8 0.7725 0.6487 0.7334
36 9 0.9354 0.6459 0.002
37 10 0.9405 0.6411 0.4998
38 11 0.908 0.8599 0.723
39 3 0.4483 0.2831 0.7507
40 3 0.7169 0.1651 0.7507
41 4 0.4029 0.0162 0.7518
42 4 0.9838 0.3867 0.7518
43 5 0.2814 0.1 0.2471
44 5 0.9 0.1814 0.2471
45 6 0.5293 0.1673 0.2187
46 6 0.8327 0.362 0.2187
47 8 0.3513 0.1238 0.7334
48 8 0.8762 0.2275 0.7334
49 9 0.3541 0.2895 0.002
50 9 0.7105 0.0646 0.002
51 10 0.3589 0.2994 0.4998
52 10 0.7006 0.0595 0.4998
53 11 0.1401 0.0481 0.723
54 11 0.9519 0.092 0.723
X-ray density (g/cm cub.) = 4.2
MU (1/cm) = 859.938 Mass attenuation coefficient (cm**2/g) = 204.604
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Sb ,Sb 3.264 3
2.3557 6
2.3555 6
2.3554 6
2 Sb ,Sb 3.264 3
2.251 6
2.2508 6
2.2507 6
3 Sb 3.264 3
1.9841 8
1.976 9
1.9846 10
4 Sb 3.264 4
2.0077 8
3.2145 6
2.0063 9
1.9154 10
5 K ,K 3.78 11
3.1683 6
2.8564 8
3.0026 8
2.7287 9
2.8552 10
3.1921 11
3.4199 11
2.7958 9
2.7797 10
3.0759 11
3.0288 11
6 S 4.368 10
3.6776 8
3.5505 8
3.8836 9
4.0598 10
3.7942 6
3.7942 6
3.7493 9
3.8131 10
3.7167 9
3.4768 10
7 Na ,Na 3.36 6
2.3069 11
2.3069 11
2.307 11
2.1859 11
2.1859 11
2.186 11
8 O 3.816 7
3.5505 6
3.6776 6
2.7818 9
2.7764 10
2.6419 11
2.7005 9
2.767 10
9 O 3.816 8
2.7818 8
2.7854 10
2.81 10
3.6162 11
3.7493 6
3.717 6
2.7007 8
3.4726 11
10 O 3.816 8
2.7764 8
2.81 9
2.7854 9
3.597 11
3.8131 6
3.4771 6
2.7671 8
3.658 11
11 O ,O 3.816 11
2.6419 8
3.6162 9
3.597 10
3.0436 11
3.0436 11
3.4726 9
3.658 10
3.3014 11
3.3014 11
3.3015 11
3.3015 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 0 3.578 7.156 0.041 510.47 6 124.3 4898.9
2 1 1 0 6.206 12.412 0.07 168.18 6 68.7 492.5
3 2 0 0 7.171 14.341 0.081 125.41 6 4.2 1.4
4 1 0 1 8.701 17.401 0.098 84.46 12 51.8 280.8
5 1 2 0 9.504 19.009 0.107 70.43 6 159.6 1113.6
6 2 1 0 9.504 19.009 0.107 70.43 6 2.8 0.3
7 1 1 1 10.087 20.173 0.114 62.29 12 86.0 572.4
8 2 0 1 10.715 21.43 0.121 54.95 12 160.3 1751.9
9 3 0 0 10.791 21.583 0.122 54.15 6 173.5 1011.5
10 1 2 1 12.419 24.839 0.14 40.37 12 179.2 1610.0
11 2 1 1 12.419 24.839 0.14 40.37 12 78.1 305.9
12 2 2 0 12.486 24.972 0.14 39.92 6 5.4 0.7
13 1 3 0 13.004 26.009 0.146 36.64 6 164.2 613.5
14 3 1 0 13.004 26.009 0.146 36.64 6 121.2 334.2
15 3 0 1 13.443 26.886 0.151 34.16 12 172.6 1262.9
16 4 0 0 14.457 28.913 0.162 29.27 6 120.3 262.8
17 2 2 1 14.855 29.711 0.166 27.61 12 304.8 3185.2
18 1 3 1 15.3 30.599 0.171 25.92 12 343.8 3804.3
19 3 1 1 15.3 30.599 0.171 25.92 12 194.8 1220.7
20 2 3 0 15.786 31.572 0.177 24.23 6 117.7 208.3
21 3 2 0 15.786 31.572 0.177 24.23 6 55.7 46.7
22 0 0 2 15.997 31.995 0.179 23.55 2 586.7 1676.9
23 1 0 2 16.414 32.827 0.183 22.28 12 85.5 202.2
24 4 0 1 16.568 33.136 0.185 21.83 12 131.7 470.2
25 1 4 0 16.619 33.238 0.186 21.68 6 119.4 192.0
26 4 1 0 16.619 33.238 0.186 21.68 6 291.7 1145.5
27 1 1 2 17.22 34.439 0.192 20.07 12 96.2 230.5
28 2 0 2 17.61 35.221 0.196 19.11 12 39.9 37.8
29 2 3 1 17.755 35.511 0.198 18.77 12 13.9 4.5
30 3 2 1 17.755 35.511 0.198 18.77 12 2.0 0.1
31 5 0 0 18.183 36.366 0.203 17.82 6 110.9 136.1
32 1 4 1 18.51 37.02 0.206 17.13 12 62.7 83.6
33 4 1 1 18.51 37.02 0.206 17.13 12 9.8 2.0
34 1 2 2 18.74 37.48 0.209 16.67 12 90.5 169.5
35 2 1 2 18.74 37.48 0.209 16.67 12 51.4 54.6
36 3 3 0 18.923 37.846 0.211 16.32 6 89.7 81.6
37 2 4 0 19.284 38.568 0.214 15.65 6 63.3 38.9
38 4 2 0 19.284 38.568 0.214 15.65 6 192.1 358.6
39 3 0 2 19.462 38.924 0.216 15.34 12 25.9 12.7
40 5 0 1 19.946 39.891 0.221 14.52 12 7.3 1.0
41 1 5 0 20.334 40.668 0.226 13.91 6 131.5 149.2
42 5 1 0 20.334 40.668 0.226 13.91 6 159.2 218.8
43 2 2 2 20.504 41.008 0.227 13.66 12 59.7 60.3
44 3 3 1 20.632 41.263 0.229 13.47 12 132.1 291.8
45 1 3 2 20.842 41.684 0.231 13.17 12 186.9 571.2
46 3 1 2 20.842 41.684 0.231 13.17 12 42.2 29.0
47 2 4 1 20.968 41.936 0.232 12.99 12 39.2 24.8
48 4 2 1 20.968 41.936 0.232 12.99 12 91.3 134.3
49 4 0 2 21.83 43.66 0.241 11.87 12 61.0 54.8
50 1 5 1 21.951 43.902 0.243 11.72 12 183.5 490.0
51 5 1 1 21.951 43.902 0.243 11.72 12 44.2 28.5
52 6 0 0 21.991 43.983 0.243 11.67 6 88.5 56.8
53 3 4 0 22.311 44.622 0.246 11.3 6 193.8 263.4
54 4 3 0 22.311 44.622 0.246 11.3 6 30.2 6.4
55 2 3 2 22.783 45.566 0.251 10.78 12 174.3 406.3
56 3 2 2 22.783 45.566 0.251 10.78 12 46.1 28.4
57 2 5 0 22.939 45.879 0.253 10.61 6 127.0 106.2
58 5 2 0 22.939 45.879 0.253 10.61 6 223.0 327.6
59 1 4 2 23.402 46.804 0.258 10.14 12 141.0 250.3
60 4 1 2 23.402 46.804 0.258 10.14 12 174.9 385.4
61 6 0 1 23.517 47.033 0.259 10.03 12 48.3 29.1
62 3 4 1 23.82 47.64 0.262 9.74 12 58.3 41.1
63 4 3 1 23.82 47.64 0.262 9.74 12 69.6 58.6
64 1 6 0 24.158 48.317 0.266 9.44 6 22.3 2.9
65 6 1 0 24.158 48.317 0.266 9.44 6 243.8 348.3
66 2 5 1 24.419 48.837 0.268 9.21 12 147.8 249.8
67 5 2 1 24.419 48.837 0.268 9.21 12 16.9 3.3
68 5 0 2 24.603 49.206 0.27 9.05 12 155.0 269.8
69 1 0 3 24.713 49.426 0.271 8.96 12 128.4 183.3
70 3 3 2 25.188 50.375 0.276 8.58 12 17.4 3.2
71 1 1 3 25.296 50.591 0.277 8.5 12 66.9 47.2
72 2 4 2 25.476 50.952 0.279 8.36 12 92.9 89.6
73 4 2 2 25.476 50.952 0.279 8.36 12 240.0 598.1
74 2 0 3 25.583 51.167 0.28 8.28 12 35.0 12.6
75 1 6 1 25.584 51.168 0.28 8.28 12 210.9 457.2
76 6 1 1 25.584 51.168 0.28 8.28 12 104.9 113.0
77 4 4 0 25.62 51.24 0.281 8.26 6 76.4 29.9
78 3 5 0 25.905 51.81 0.284 8.05 6 53.5 14.3
79 5 3 0 25.905 51.81 0.284 8.05 6 284.1 403.2
80 7 0 0 25.905 51.81 0.284 8.05 6 147.9 109.3
81 1 5 2 26.328 52.656 0.288 7.76 12 159.9 246.1
82 5 1 2 26.328 52.656 0.288 7.76 12 103.1 102.3
83 1 2 3 26.433 52.866 0.289 7.69 12 67.1 43.0
84 2 1 3 26.433 52.866 0.289 7.69 12 19.8 3.8
85 2 6 0 26.747 53.494 0.292 7.49 6 29.5 4.0
86 6 2 0 26.747 53.494 0.292 7.49 6 64.2 19.2
87 3 0 3 26.989 53.977 0.295 7.33 12 119.3 129.6
88 4 4 1 26.989 53.979 0.295 7.33 12 166.6 252.6
89 3 5 1 27.264 54.529 0.297 7.17 12 61.1 33.2
90 5 3 1 27.264 54.529 0.297 7.17 12 41.4 15.3
91 7 0 1 27.264 54.529 0.297 7.17 12 37.1 12.3
92 6 0 2 27.707 55.414 0.302 6.91 12 7.9 0.5
93 2 2 3 27.808 55.616 0.303 6.85 12 216.2 397.7
94 3 4 2 27.977 55.954 0.305 6.76 12 115.1 111.0
95 4 3 2 27.977 55.954 0.305 6.76 12 16.9 2.4
96 1 3 3 28.078 56.155 0.306 6.7 12 180.6 271.5
97 3 1 3 28.078 56.155 0.306 6.7 12 216.7 390.7
98 2 6 1 28.078 56.157 0.306 6.7 12 75.1 46.9
99 6 2 1 28.078 56.157 0.306 6.7 12 43.9 16.0
100 1 7 0 28.112 56.224 0.306 6.68 6 32.4 4.4
101 7 1 0 28.112 56.224 0.306 6.68 6 92.2 35.3
102 2 5 2 28.512 57.025 0.31 6.47 12 13.9 1.6
103 5 2 2 28.512 57.025 0.31 6.47 12 122.8 121.1
104 4 0 3 28.876 57.753 0.313 6.29 12 157.6 193.9
105 4 5 0 29.173 58.346 0.316 6.15 6 32.3 4.0
106 5 4 0 29.173 58.346 0.316 6.15 6 138.8 73.5
107 1 7 1 29.402 58.804 0.319 6.04 12 172.9 224.2
108 7 1 1 29.402 58.804 0.319 6.04 12 81.5 49.8
109 1 6 2 29.564 59.129 0.32 5.97 12 16.0 1.9
110 6 1 2 29.564 59.129 0.32 5.97 12 160.8 191.5
111 2 3 3 29.661 59.323 0.321 5.92 12 53.3 20.9
112 3 2 3 29.661 59.323 0.321 5.92 12 72.5 38.6
113 3 6 0 29.694 59.389 0.322 5.91 6 71.5 18.7
114 6 3 0 29.694 59.389 0.322 5.91 6 31.1 3.6
115 8 0 0 29.953 59.906 0.324 5.79 6 6.0 0.1
116 1 4 3 30.178 60.355 0.326 5.7 12 43.8 13.6
117 4 1 3 30.178 60.355 0.326 5.7 12 14.7 1.5
118 4 5 1 30.434 60.869 0.329 5.59 12 56.9 22.5
119 5 4 1 30.434 60.869 0.329 5.59 12 235.0 383.2
120 2 7 0 30.721 61.442 0.332 5.48 6 116.7 46.3
121 7 2 0 30.721 61.442 0.332 5.48 6 48.6 8.0
122 4 4 2 30.848 61.695 0.333 5.43 12 126.4 107.6
123 3 6 1 30.943 61.886 0.334 5.39 12 188.6 237.9
124 6 3 1 30.943 61.886 0.334 5.39 12 80.8 43.6
125 3 5 2 31.101 62.201 0.335 5.33 12 87.3 50.5
126 5 3 2 31.101 62.201 0.335 5.33 12 297.0 583.3
127 7 0 2 31.101 62.201 0.335 5.33 12 171.6 194.7
128 5 0 3 31.195 62.389 0.336 5.29 12 77.6 39.6
129 8 0 1 31.195 62.391 0.336 5.29 12 209.6 288.8
130 3 3 3 31.696 63.392 0.341 5.11 12 101.3 65.2
131 2 6 2 31.852 63.705 0.343 5.06 12 56.1 19.8
132 6 2 2 31.852 63.705 0.343 5.06 12 45.8 13.1
133 2 4 3 31.945 63.89 0.343 5.02 12 103.3 66.6
134 4 2 3 31.945 63.89 0.343 5.02 12 4.0 0.1
135 2 7 1 31.946 63.892 0.343 5.02 12 112.1 78.3
136 7 2 1 31.946 63.892 0.343 5.02 12 177.2 195.9
137 1 8 0 32.225 64.45 0.346 4.93 6 31.8 3.1
138 8 1 0 32.225 64.45 0.346 4.93 6 9.7 0.3
139 1 5 3 32.686 65.372 0.351 4.78 12 85.8 43.7
140 5 1 3 32.686 65.372 0.351 4.78 12 104.5 64.8
141 5 5 0 32.718 65.435 0.351 4.77 6 165.2 80.8
142 4 6 0 32.962 65.925 0.353 4.7 6 46.3 6.2
143 6 4 0 32.962 65.925 0.353 4.7 6 16.5 0.8
144 1 7 2 33.084 66.169 0.354 4.66 12 68.0 26.7
145 7 1 2 33.084 66.169 0.354 4.66 12 19.3 2.1
146 1 8 1 33.419 66.838 0.358 4.56 12 25.6 3.7
147 8 1 1 33.419 66.838 0.358 4.56 12 93.5 49.5
148 0 0 4 33.448 66.897 0.358 4.55 2 382.1 137.5
149 1 0 4 33.69 67.381 0.36 4.48 12 24.1 3.2
150 3 7 0 33.692 67.383 0.36 4.48 6 94.7 24.9
151 7 3 0 33.692 67.383 0.36 4.48 6 91.6 23.3
152 6 0 3 33.902 67.805 0.362 4.43 12 38.1 8.0
153 5 5 1 33.903 67.806 0.362 4.43 12 13.0 0.9
154 4 5 2 34.053 68.106 0.363 4.38 12 16.5 1.5
155 5 4 2 34.053 68.106 0.363 4.38 12 134.6 98.6
156 3 4 3 34.143 68.286 0.364 4.36 12 22.4 2.7
157 4 3 3 34.143 68.286 0.364 4.36 12 8.0 0.3
158 4 6 1 34.143 68.287 0.364 4.36 12 23.5 3.0
159 6 4 1 34.143 68.287 0.364 4.36 12 23.1 2.9
160 1 1 4 34.172 68.345 0.365 4.35 12 143.7 111.6
161 9 0 0 34.174 68.347 0.365 4.35 6 71.1 13.6
162 2 0 4 34.412 68.824 0.367 4.29 12 59.5 18.8
163 3 6 2 34.533 69.065 0.368 4.26 12 23.0 2.8
164 6 3 2 34.533 69.065 0.368 4.26 12 78.0 32.2
165 2 5 3 34.622 69.244 0.369 4.24 12 110.3 64.0
166 5 2 3 34.622 69.244 0.369 4.24 12 11.2 0.7
167 8 0 2 34.771 69.542 0.37 4.2 12 28.5 4.2
168 3 7 1 34.861 69.721 0.371 4.18 12 105.4 57.6
169 7 3 1 34.861 69.721 0.371 4.18 12 28.8 4.3
170 2 8 0 34.89 69.781 0.371 4.17 6 274.0 194.3
171 8 2 0 34.89 69.781 0.371 4.17 6 127.4 42.0
172 1 2 4 35.127 70.253 0.373 4.11 12 143.4 105.1
173 2 1 4 35.127 70.253 0.373 4.11 12 41.6 8.8
174 9 0 1 35.335 70.67 0.375 4.07 12 55.6 15.6
175 2 7 2 35.483 70.965 0.377 4.03 12 88.5 39.2
176 7 2 2 35.483 70.965 0.377 4.03 12 77.9 30.3
177 1 6 3 35.571 71.141 0.378 4.01 12 104.5 54.4
178 6 1 3 35.571 71.141 0.378 4.01 12 148.9 110.4
179 3 0 4 35.6 71.199 0.378 4.01 12 10.6 0.6
180 2 8 1 36.042 72.083 0.382 3.91 12 27.9 3.8
181 8 2 1 36.042 72.083 0.382 3.91 12 54.0 14.1
182 2 2 4 36.304 72.608 0.384 3.86 12 94.7 42.9
183 1 3 4 36.538 73.075 0.386 3.81 12 67.6 21.6
184 3 1 4 36.538 73.075 0.386 3.81 12 28.2 3.8
185 1 9 0 36.539 73.077 0.386 3.81 6 25.8 1.6
186 5 6 0 36.539 73.077 0.386 3.81 6 74.8 13.2
187 6 5 0 36.539 73.077 0.386 3.81 6 5.5 0.1
188 9 1 0 36.539 73.077 0.386 3.81 6 16.5 0.6
189 4 4 3 36.742 73.484 0.388 3.77 12 134.7 84.9
190 1 8 2 36.888 73.775 0.39 3.74 12 31.2 4.5
191 8 1 2 36.888 73.775 0.39 3.74 12 3.0 0.0
192 3 5 3 36.974 73.949 0.39 3.72 12 98.0 44.4
193 5 3 3 36.974 73.949 0.39 3.72 12 29.7 4.1
194 7 0 3 36.974 73.949 0.39 3.72 12 38.5 6.9
195 4 7 0 37.004 74.008 0.391 3.72 6 54.6 6.9
196 7 4 0 37.004 74.008 0.391 3.72 6 47.8 5.3
197 4 0 4 37.235 74.47 0.393 3.68 12 9.6 0.4
198 5 5 2 37.352 74.703 0.394 3.66 12 66.8 20.3
199 4 6 2 37.583 75.165 0.396 3.61 12 26.0 3.0
200 6 4 2 37.583 75.165 0.396 3.61 12 44.2 8.8
201 2 6 3 37.669 75.338 0.397 3.6 12 4.6 0.1
202 6 2 3 37.669 75.338 0.397 3.6 12 31.7 4.5
203 1 9 1 37.669 75.339 0.397 3.6 12 3.6 0.1
204 5 6 1 37.669 75.339 0.397 3.6 12 33.7 5.1
205 6 5 1 37.669 75.339 0.397 3.6 12 61.7 17.0
206 9 1 1 37.669 75.339 0.397 3.6 12 45.7 9.3
207 2 3 4 37.928 75.855 0.399 3.56 12 141.5 88.3
208 3 2 4 37.928 75.855 0.399 3.56 12 64.0 18.1
209 3 8 0 37.929 75.857 0.399 3.56 6 87.4 16.9
210 8 3 0 37.929 75.857 0.399 3.56 6 73.0 11.8
211 4 7 1 38.13 76.26 0.401 3.52 12 105.5 48.7
212 7 4 1 38.13 76.26 0.401 3.52 12 61.2 16.4
213 3 7 2 38.273 76.546 0.402 3.5 12 61.7 16.5
214 7 3 2 38.273 76.546 0.402 3.5 12 109.4 52.0
215 1 4 4 38.387 76.774 0.403 3.48 12 145.9 92.0
216 4 1 4 38.387 76.774 0.403 3.48 12 79.1 27.0
217 10 0 0 38.617 77.234 0.405 3.45 6 29.9 1.9
218 9 0 2 38.731 77.462 0.406 3.43 12 97.0 40.0
219 1 7 3 38.817 77.633 0.407 3.42 12 141.5 84.9
220 7 1 3 38.817 77.633 0.407 3.42 12 64.1 17.4
221 3 8 1 39.045 78.091 0.409 3.38 12 3.1 0.0
222 8 3 1 39.045 78.091 0.409 3.38 12 125.0 65.6
223 5 0 4 39.301 78.601 0.411 3.35 12 127.0 67.0
224 2 9 0 39.302 78.604 0.411 3.35 6 109.6 24.9
225 9 2 0 39.302 78.604 0.411 3.35 6 164.0 55.9
226 2 8 2 39.415 78.831 0.412 3.33 12 149.0 91.8
227 8 2 2 39.415 78.831 0.412 3.33 12 69.4 19.9
228 4 5 3 39.727 79.455 0.415 3.29 12 7.1 0.2
229 5 4 3 39.727 79.455 0.415 3.29 12 133.1 72.4
230 10 0 1 39.728 79.456 0.415 3.29 12 85.8 30.1
231 3 3 4 39.755 79.511 0.415 3.29 12 31.3 4.0
232 2 4 4 39.982 79.964 0.417 3.26 12 82.6 27.6
233 4 2 4 39.982 79.964 0.417 3.26 12 80.0 25.9
234 3 6 3 40.181 80.362 0.419 3.23 12 145.6 85.1
235 6 3 3 40.181 80.362 0.419 3.23 12 62.0 15.4
236 8 0 3 40.407 80.814 0.421 3.21 12 111.9 49.8
237 2 9 1 40.408 80.815 0.421 3.21 12 105.7 44.5
238 9 2 1 40.408 80.815 0.421 3.21 12 172.0 117.7
239 6 6 0 40.436 80.872 0.421 3.2 6 76.7 11.7
240 1 5 4 40.661 81.321 0.423 3.18 12 46.0 8.3
241 5 1 4 40.661 81.321 0.423 3.18 12 40.7 6.5
242 5 7 0 40.662 81.324 0.423 3.18 6 48.7 4.7
243 7 5 0 40.662 81.324 0.423 3.18 6 28.5 1.6
244 1 9 2 41.0 82.0 0.426 3.14 12 21.8 1.9
245 5 6 2 41.0 82.0 0.426 3.14 12 37.5 5.5
246 6 5 2 41.0 82.0 0.426 3.14 12 32.4 4.1
247 9 1 2 41.0 82.0 0.426 3.14 12 11.2 0.5
248 2 7 3 41.084 82.168 0.427 3.13 12 138.4 74.4
249 7 2 3 41.084 82.168 0.427 3.13 12 86.7 29.2
250 1 10 0 41.113 82.226 0.427 3.13 6 88.1 15.1
251 10 1 0 41.113 82.226 0.427 3.13 6 138.5 37.2
252 4 8 0 41.338 82.676 0.429 3.1 6 100.1 19.3
253 8 4 0 41.338 82.676 0.429 3.1 6 53.5 5.5
254 4 7 2 41.45 82.9 0.43 3.09 12 12.4 0.6
255 7 4 2 41.45 82.9 0.43 3.09 12 17.1 1.1
256 6 6 1 41.535 83.069 0.43 3.08 12 166.6 106.2
257 5 7 1 41.759 83.519 0.432 3.06 12 90.2 30.9
258 7 5 1 41.759 83.519 0.432 3.06 12 124.5 58.9
259 6 0 4 41.786 83.573 0.433 3.06 12 41.2 6.4
260 3 4 4 42.011 84.022 0.434 3.04 12 76.1 21.8
261 4 3 4 42.011 84.022 0.434 3.04 12 24.3 2.2
262 1 10 1 42.208 84.417 0.436 3.02 12 19.4 1.4
263 10 1 1 42.208 84.417 0.436 3.02 12 8.3 0.3
264 3 8 2 42.348 84.696 0.437 3.01 12 57.3 12.3
265 8 3 2 42.348 84.696 0.437 3.01 12 45.0 7.6
266 1 8 3 42.432 84.864 0.438 3.0 12 73.1 19.9
267 8 1 3 42.432 84.864 0.438 3.0 12 28.9 3.1
268 4 8 1 42.432 84.865 0.438 3.0 12 11.5 0.5
269 8 4 1 42.432 84.865 0.438 3.0 12 95.7 34.1
270 2 5 4 42.459 84.919 0.438 3.0 12 5.9 0.1
271 5 2 4 42.459 84.919 0.438 3.0 12 42.7 6.8
272 3 9 0 42.461 84.921 0.438 3.0 6 43.5 3.5
273 9 3 0 42.461 84.921 0.438 3.0 6 124.2 28.7
274 5 5 3 42.88 85.759 0.442 2.96 12 13.0 0.6
275 10 0 2 43.02 86.04 0.443 2.95 12 52.0 9.9
276 4 6 3 43.103 86.207 0.444 2.95 12 67.1 16.4
277 6 4 3 43.103 86.207 0.444 2.95 12 66.7 16.3
278 1 6 4 43.355 86.709 0.446 2.93 12 48.2 8.4
279 6 1 4 43.355 86.709 0.446 2.93 12 101.1 37.2
280 11 0 0 43.356 86.711 0.446 2.93 6 79.7 11.5
281 3 9 1 43.551 87.102 0.447 2.91 12 50.5 9.2
282 9 3 1 43.551 87.102 0.447 2.91 12 0.4 0.0
283 2 9 2 43.691 87.381 0.448 2.9 12 84.4 25.7
284 9 2 2 43.691 87.381 0.448 2.9 12 125.2 56.5
285 1 0 5 43.773 87.546 0.449 2.9 12 89.3 28.7
286 3 7 3 43.774 87.548 0.449 2.9 12 136.7 67.2
287 7 3 3 43.774 87.548 0.449 2.9 12 26.9 2.6
288 2 10 0 44.026 88.052 0.451 2.88 6 113.4 23.0
289 10 2 0 44.026 88.052 0.451 2.88 6 66.9 8.0
290 1 1 5 44.219 88.439 0.453 2.87 12 49.0 8.6
291 9 0 3 44.221 88.441 0.453 2.87 12 50.9 9.2
292 2 0 5 44.443 88.885 0.455 2.86 12 18.2 1.2
293 11 0 1 44.444 88.889 0.455 2.86 12 101.4 36.4
294 4 4 4 44.471 88.943 0.455 2.86 12 128.2 58.2
295 3 5 4 44.694 89.389 0.457 2.84 12 85.6 25.9
296 5 3 4 44.694 89.389 0.457 2.84 12 218.9 169.2
297 7 0 4 44.694 89.389 0.457 2.84 12 141.2 70.4
298 6 7 0 44.696 89.391 0.457 2.84 6 90.5 14.5
299 7 6 0 44.696 89.391 0.457 2.84 6 131.0 30.3
300 6 6 2 44.807 89.614 0.457 2.84 12 103.8 37.9
301 2 8 3 44.89 89.781 0.458 2.83 12 17.9 1.1
302 8 2 3 44.89 89.781 0.458 2.83 12 44.6 7.0
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 0 3.578 7.156 12.34199 4898.9 97.5 99.0 5.5
2 1 1 0 6.206 12.412 7.12565 492.5 9.8 9.9 5.6
3 1 0 1 8.701 17.401 5.09205 280.8 5.6 5.6 5.6
4 1 2 0 9.504 19.009 4.66483 1114.0 22.2 22.4 5.6
5 1 1 1 10.087 20.173 4.39813 572.4 11.4 11.5 5.6
6 2 0 1 10.715 21.43 4.14294 1751.9 34.9 35.1 5.6
7 3 0 0 10.791 21.583 4.114 1011.5 20.1 20.3 5.6
8 1 2 1 12.419 24.839 3.58158 1915.9 38.1 38.3 5.6
9 1 3 0 13.004 26.009 3.42305 947.6 18.9 18.9 5.6
10 3 0 1 13.443 26.886 3.3134 1262.9 25.1 25.2 5.6
11 4 0 0 14.457 28.913 3.0855 262.8 5.2 5.2 5.6
12 2 2 1 14.855 29.711 3.00447 3185.2 63.4 63.4 5.6
13 1 3 1 15.3 30.599 2.91921 5025.0 100.0 100.0 5.6
14 2 3 0 15.786 31.572 2.83145 255.0 5.1 5.1 5.6
15 0 0 2 15.997 31.995 2.795 1676.9 33.4 33.3 5.6
16 1 0 2 16.414 32.827 2.72597 202.2 4.0 4.0 5.6
17 4 0 1 16.568 33.136 2.70131 470.2 9.4 9.3 5.6
18 4 1 0 16.619 33.238 2.69324 1337.4 26.6 26.6 5.6
19 1 1 2 17.22 34.439 2.60199 230.5 4.6 4.6 5.7
20 5 0 0 18.183 36.366 2.4684 136.1 2.7 2.7 5.7
21 1 4 1 18.51 37.02 2.42632 85.7 1.7 1.7 5.7
22 1 2 2 18.74 37.48 2.39758 224.1 4.5 4.4 5.7
23 3 3 0 18.923 37.846 2.37522 81.6 1.6 1.6 5.7
24 4 2 0 19.284 38.568 2.33242 397.4 7.9 7.9 5.7
25 5 1 0 20.334 40.668 2.21669 368.0 7.3 7.3 5.7
26 2 2 2 20.504 41.008 2.19907 60.3 1.2 1.2 5.7
27 3 3 1 20.632 41.263 2.18606 291.8 5.8 5.7 5.7
28 1 3 2 20.842 41.684 2.16497 600.2 11.9 11.8 5.7
29 4 2 1 20.968 41.936 2.15256 159.1 3.2 3.1 5.7
30 4 0 2 21.83 43.66 2.07147 54.8 1.1 1.1 5.7
31 1 5 1 21.951 43.902 2.06059 518.5 10.3 10.2 5.7
32 6 0 0 21.991 43.983 2.057 56.8 1.1 1.1 5.7
33 3 4 0 22.311 44.622 2.02901 269.8 5.4 5.3 5.7
34 2 3 2 22.783 45.566 1.98912 434.7 8.7 8.5 5.7
35 5 2 0 22.939 45.879 1.9763 433.8 8.6 8.5 5.7
36 4 1 2 23.402 46.804 1.93939 635.7 12.7 12.5 5.7
37 4 3 1 23.82 47.64 1.90726 99.7 2.0 2.0 5.7
38 6 1 0 24.158 48.317 1.88214 351.2 7.0 6.9 5.7
39 2 5 1 24.419 48.837 1.86328 253.0 5.0 4.9 5.7
40 5 0 2 24.603 49.206 1.85017 269.8 5.4 5.3 5.7
41 1 0 3 24.713 49.426 1.84245 183.3 3.6 3.6 5.7
42 4 2 2 25.476 50.952 1.79079 687.7 13.7 13.4 5.8
43 6 1 1 25.584 51.168 1.78374 582.8 11.6 11.4 5.8
44 7 0 0 25.905 51.81 1.76314 526.8 10.5 10.3 5.8
45 1 5 2 26.328 52.656 1.73678 348.5 6.9 6.8 5.8
46 4 4 1 26.989 53.979 1.69731 382.2 7.6 7.4 5.8
47 3 5 1 27.264 54.529 1.68148 60.7 1.2 1.2 5.8
48 2 2 3 27.808 55.616 1.65115 397.7 7.9 7.7 5.8
49 3 4 2 27.977 55.954 1.64197 113.4 2.3 2.2 5.8
50 3 1 3 28.078 56.155 1.63657 725.1 14.4 14.0 5.8
51 5 2 2 28.512 57.025 1.61366 122.7 2.4 2.4 5.8
52 4 0 3 28.876 57.753 1.59504 193.9 3.9 3.7 5.8
53 5 4 0 29.173 58.346 1.58023 77.5 1.5 1.5 5.8
54 1 7 1 29.402 58.804 1.56902 274.0 5.5 5.3 5.8
55 6 1 2 29.564 59.129 1.56117 193.4 3.8 3.7 5.8
56 3 2 3 29.661 59.323 1.55652 59.5 1.2 1.1 5.8
57 5 4 1 30.434 60.869 1.52064 405.7 8.1 7.8 5.8
58 2 7 0 30.721 61.442 1.50781 54.3 1.1 1.0 5.8
59 4 4 2 30.848 61.695 1.50223 107.6 2.1 2.1 5.8
60 3 6 1 30.943 61.886 1.49807 281.5 5.6 5.4 5.8
61 7 0 2 31.101 62.201 1.49123 828.5 16.5 15.9 5.8
62 8 0 1 31.195 62.391 1.48715 328.3 6.5 6.3 5.8
63 3 3 3 31.696 63.392 1.46604 65.2 1.3 1.2 5.9
64 7 2 1 31.946 63.892 1.45578 340.9 6.8 6.5 5.9
65 5 1 3 32.686 65.372 1.42635 108.5 2.2 2.1 5.9
66 5 5 0 32.718 65.435 1.42513 80.8 1.6 1.5 5.9
67 0 0 4 33.448 66.897 1.3975 190.7 3.8 3.6 5.9
68 7 3 0 33.692 67.383 1.38858 51.5 1.0 1.0 5.9
69 5 4 2 34.053 68.106 1.37559 100.0 2.0 1.9 5.9
70 1 1 4 34.172 68.345 1.37137 134.2 2.7 2.5 5.9
71 2 5 3 34.622 69.244 1.35575 64.7 1.3 1.2 5.9
72 3 7 1 34.861 69.721 1.34763 61.9 1.2 1.2 5.9
73 2 8 0 34.89 69.781 1.34662 236.4 4.7 4.5 5.9
74 1 2 4 35.127 70.253 1.33872 113.9 2.3 2.2 5.9
75 2 7 2 35.483 70.965 1.32703 69.5 1.4 1.3 5.9
76 6 1 3 35.571 71.141 1.32417 165.4 3.3 3.1 5.9
77 4 4 3 36.742 73.484 1.28764 84.9 1.7 1.6 6.0
78 3 5 3 36.974 73.949 1.28068 67.5 1.3 1.3 6.0
79 2 3 4 37.928 75.855 1.25317 135.0 2.7 2.5 6.0
80 4 7 1 38.13 76.26 1.24753 65.0 1.3 1.2 6.0
81 7 3 2 38.273 76.546 1.24357 68.5 1.4 1.3 6.0
82 1 4 4 38.387 76.774 1.24045 119.0 2.4 2.2 6.0
83 1 7 3 38.817 77.633 1.22885 102.3 2.0 1.9 6.0
84 8 3 1 39.045 78.091 1.22279 65.6 1.3 1.2 6.0
85 5 0 4 39.301 78.601 1.21612 147.8 2.9 2.8 6.0
86 2 8 2 39.415 78.831 1.21316 111.7 2.2 2.1 6.0
87 5 4 3 39.727 79.455 1.20519 106.4 2.1 2.0 6.0
88 2 4 4 39.982 79.964 1.19879 53.5 1.1 1.0 6.0
89 3 6 3 40.181 80.362 1.19386 100.5 2.0 1.9 6.0
90 9 2 1 40.408 80.815 1.1883 223.6 4.5 4.1 6.1
91 2 7 3 41.084 82.168 1.17212 155.8 3.1 2.9 6.1
92 6 6 1 41.535 83.069 1.16168 106.2 2.1 2.0 6.1
93 7 5 1 41.759 83.519 1.15657 96.3 1.9 1.8 6.1
94 9 3 0 42.461 84.921 1.14102 96.7 1.9 1.8 6.1
95 11 0 0 43.356 86.711 1.122 57.1 1.1 1.0 6.1
96 9 2 2 43.691 87.381 1.11511 82.2 1.6 1.5 6.2
97 3 7 3 43.774 87.548 1.11342 98.5 2.0 1.8 6.2
98 4 4 4 44.471 88.943 1.09953 95.9 1.9 1.7 6.2
99 7 6 0 44.696 89.391 1.09517 310.2 6.2 5.6 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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