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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MROSEITE
1
CaTeO(2)[CO(3)]
Orthorhombic P bca Z = 8
R =0.066 NR =807
19 .9 .1990
Ref.Str.:
Fischer R., Pertlic F., Zemann J. (1975)
* Canad. Mineral., 13, 383-387
Reserv:
See U(ij) for Ca,Te in the original
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.988 alpha = 90.0
b = 11.201 beta = 90.0
c = 10.566 gamma = 90.0
Unit cell volume (cub. angs.) = 827.03
Molar volume ( cub.cm/mol.) = 62.27
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4801 0.1722 0.9909 0.0 Ca = 1.00
2 0.0916 0.0147 0.1336 0.0 Te = 1.00
3 0.2632 0.2619 0.2573 1.7 C = 1.00
4 0.3553 0.3614 0.276 0.6 O = 1.00
5 0.2283 0.1962 0.3503 1.2 O = 1.00
6 0.2158 0.2285 0.1398 0.7 O = 1.00
7 0.5226 0.3919 0.027 1.2 O = 1.00
8 0.1585 0.497 0.0802 1.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4801 0.1722 0.9909
2 2 0.0916 0.0147 0.1336
3 3 0.2632 0.2619 0.2573
4 4 0.3553 0.3614 0.276
5 5 0.2283 0.1962 0.3503
6 6 0.2158 0.2285 0.1398
7 7 0.5226 0.3919 0.027
8 8 0.1585 0.497 0.0802
9 1 0.0199 0.8278 0.4909
10 2 0.4084 0.9853 0.6336
11 3 0.2368 0.7381 0.7573
12 4 0.1447 0.6386 0.776
13 5 0.2717 0.8038 0.8503
14 6 0.2842 0.7715 0.6398
15 7 0.9774 0.6081 0.527
16 8 0.3415 0.503 0.5802
17 1 0.0199 0.6722 0.9909
18 2 0.4084 0.5147 0.1336
19 3 0.2368 0.7619 0.2573
20 4 0.1447 0.8614 0.276
21 5 0.2717 0.6962 0.3503
22 6 0.2842 0.7285 0.1398
23 7 0.9774 0.8919 0.027
24 8 0.3415 0.997 0.0802
25 1 0.4801 0.3278 0.4909
26 2 0.0916 0.4853 0.6336
27 3 0.2632 0.2381 0.7573
28 4 0.3553 0.1386 0.776
29 5 0.2283 0.3038 0.8503
30 6 0.2158 0.2715 0.6398
31 7 0.5226 0.1081 0.527
32 8 0.1585 0.003 0.5802
33 1 0.9801 0.1722 0.5091
34 2 0.5916 0.0147 0.3664
35 3 0.7632 0.2619 0.2427
36 4 0.8553 0.3614 0.224
37 5 0.7283 0.1962 0.1497
38 6 0.7158 0.2285 0.3602
39 7 0.0226 0.3919 0.473
40 8 0.6585 0.497 0.4198
41 1 0.5199 0.8278 0.0091
42 2 0.9084 0.9853 0.8664
43 3 0.7368 0.7381 0.7427
44 4 0.6447 0.6386 0.724
45 5 0.7717 0.8038 0.6497
46 6 0.7842 0.7715 0.8602
47 7 0.4774 0.6081 0.973
48 8 0.8415 0.503 0.9198
49 1 0.5199 0.6722 0.5091
50 2 0.9084 0.5147 0.3664
51 3 0.7368 0.7619 0.2427
52 4 0.6447 0.8614 0.224
53 5 0.7717 0.6962 0.1497
54 6 0.7842 0.7285 0.3602
55 7 0.4774 0.8919 0.473
56 8 0.8415 0.997 0.4198
57 1 0.9801 0.3278 0.0091
58 2 0.5916 0.4853 0.8664
59 3 0.7632 0.2381 0.7427
60 4 0.8553 0.1386 0.724
61 5 0.7283 0.3038 0.6497
62 6 0.7158 0.2715 0.8602
63 7 0.0226 0.1081 0.973
64 8 0.6585 0.003 0.9198
X-ray density (g/cm cub.) = 4.17
MU (1/cm) = 697.72 Mass attenuation coefficient (cm**2/g) = 167.323
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 8
2.5068 6
2.5079 7
2.3832 8
2.4613 4
2.7342 5
2.4281 5
2.4201 6
2.3896 8
2 Te 2.7 5
2.548 6
2.313 4
1.9487 7
1.8459 8
2.051 7
3 C 1.872 3
1.3021 4
1.2516 5
1.3383 6
4 O 3.264 7
2.1973 5
2.2885 6
2.8992 7
2.9117 8
3.0584 6
3.1392 7
3.0174 8
5 O 3.264 5
2.1973 4
2.2551 6
3.1742 6
2.9477 7
2.9244 7
6 O 3.264 8
2.2885 4
2.2551 5
3.0605 7
3.0987 8
2.8093 8
3.1742 5
3.0584 4
2.5976 7
7 O 3.264 9
2.8992 4
3.0605 6
2.8593 8
2.9477 5
3.1392 4
2.9244 5
2.5079 7
2.7924 8
2.5976 6
8 O 3.264 7
2.9117 4
3.0987 6
2.8593 7
2.8093 6
3.0174 4
2.7924 7
2.79 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 0 2 0 7.905 15.811 0.089 102.78 2 217.6 1422.5
2 0 0 2 8.384 16.768 0.095 91.14 2 61.8 101.9
3 1 1 1 8.568 17.135 0.097 87.18 8 160.2 2616.4
4 0 2 1 8.955 17.911 0.101 79.61 4 13.7 8.7
5 1 0 2 10.532 21.064 0.119 56.96 4 220.3 1616.0
6 1 2 1 10.996 21.992 0.124 52.07 8 41.0 102.6
7 1 1 2 11.262 22.523 0.127 49.55 8 44.3 113.7
8 0 2 2 11.563 23.125 0.13 46.89 4 7.0 1.3
9 2 0 0 12.736 25.472 0.143 38.29 2 157.3 277.1
10 1 2 2 13.223 26.447 0.148 35.37 8 221.7 2033.6
11 2 1 0 13.352 26.704 0.15 34.65 4 2.1 0.1
12 2 1 1 14.015 28.029 0.157 31.27 8 252.6 2333.5
13 1 3 1 14.182 28.364 0.159 30.49 8 273.8 2673.3
14 1 1 3 14.737 29.474 0.165 28.09 8 252.4 2093.5
15 0 2 3 14.973 29.945 0.168 27.15 4 57.7 52.8
16 2 2 0 15.061 30.121 0.169 26.81 4 172.0 463.6
17 2 0 2 15.326 30.652 0.172 25.83 4 199.8 603.0
18 2 2 1 15.657 31.314 0.175 24.67 8 9.6 2.7
19 2 1 2 15.849 31.699 0.177 24.03 8 9.5 2.5
20 0 4 0 15.967 31.933 0.179 23.65 2 310.5 666.8
21 1 3 2 16.0 31.999 0.179 23.54 8 62.5 107.4
22 1 2 3 16.313 32.627 0.182 22.57 8 11.1 3.2
23 0 4 1 16.533 33.067 0.185 21.93 4 61.9 49.2
24 0 0 4 16.954 33.908 0.189 20.76 2 210.6 269.3
25 2 2 2 17.335 34.67 0.193 19.78 8 125.7 365.5
26 2 3 0 17.574 35.148 0.196 19.2 4 58.4 38.3
27 1 4 1 17.769 35.537 0.198 18.74 8 38.2 32.0
28 2 3 1 18.096 36.192 0.202 18.01 8 144.7 441.1
29 0 4 2 18.139 36.279 0.202 17.91 4 86.3 78.1
30 1 0 4 18.164 36.329 0.202 17.86 4 22.3 5.2
31 2 1 3 18.546 37.091 0.206 17.06 8 110.7 244.7
32 1 1 4 18.617 37.234 0.207 16.92 8 11.4 2.6
33 1 3 3 18.677 37.353 0.208 16.8 8 131.3 338.8
34 0 2 4 18.809 37.618 0.209 16.54 4 352.7 1203.0
35 1 4 2 19.285 38.57 0.214 15.65 8 229.0 960.1
36 2 3 2 19.59 39.181 0.218 15.11 8 25.1 11.1
37 2 2 3 19.854 39.709 0.22 14.67 8 44.1 33.4
38 1 2 4 19.922 39.844 0.221 14.56 8 16.7 4.8
39 3 1 1 20.215 40.429 0.224 14.1 8 14.6 3.5
40 0 4 3 20.574 41.149 0.228 13.55 4 32.8 8.5
41 2 4 0 20.641 41.283 0.229 13.46 4 22.6 4.0
42 2 4 1 21.099 42.197 0.234 12.81 8 71.5 76.6
43 3 0 2 21.186 42.373 0.235 12.69 4 302.9 681.1
44 3 2 1 21.438 42.876 0.237 12.36 8 95.8 132.8
45 2 0 4 21.442 42.884 0.237 12.36 4 46.9 15.9
46 3 1 2 21.585 43.171 0.239 12.17 8 20.4 5.9
47 1 4 3 21.611 43.222 0.239 12.14 8 72.2 74.0
48 1 5 1 21.615 43.23 0.239 12.14 8 35.2 17.6
49 2 1 4 21.837 43.675 0.241 11.86 8 92.6 118.9
50 2 3 3 21.89 43.78 0.242 11.8 8 146.3 295.1
51 1 3 4 21.952 43.904 0.243 11.72 8 43.1 25.4
52 2 4 2 22.425 44.851 0.248 11.17 8 69.7 63.4
53 3 2 2 22.749 45.497 0.251 10.81 8 304.6 1174.0
54 1 1 5 22.766 45.532 0.251 10.8 8 150.5 286.2
55 1 5 2 22.918 45.835 0.253 10.64 8 108.8 147.3
56 0 2 5 22.929 45.858 0.253 10.62 4 160.3 159.7
57 2 2 4 22.991 45.981 0.254 10.56 8 193.9 464.2
58 3 3 1 23.361 46.722 0.257 10.18 8 77.3 71.1
59 0 4 4 23.633 47.266 0.26 9.92 4 396.1 910.3
60 3 1 3 23.727 47.455 0.261 9.83 8 4.5 0.2
61 1 2 5 23.884 47.768 0.263 9.69 8 17.8 3.6
62 2 5 0 24.107 48.215 0.265 9.48 4 182.0 183.7
63 0 6 0 24.369 48.738 0.268 9.25 2 359.6 349.8
64 2 4 3 24.51 49.02 0.269 9.13 8 62.0 41.0
65 2 5 1 24.513 49.027 0.269 9.13 8 172.9 319.3
66 1 4 4 24.567 49.134 0.27 9.08 8 21.8 5.1
67 3 3 2 24.591 49.183 0.27 9.06 8 17.0 3.1
68 0 6 1 24.772 49.543 0.272 8.91 4 182.6 173.8
69 3 2 3 24.812 49.624 0.272 8.88 8 19.2 3.8
70 2 3 4 24.819 49.639 0.272 8.88 8 58.6 35.6
71 1 5 3 24.97 49.941 0.274 8.75 8 276.6 783.5
72 2 1 5 25.563 51.126 0.28 8.3 8 242.0 568.6
73 1 3 5 25.665 51.329 0.281 8.22 8 2.8 0.1
74 1 6 1 25.675 51.349 0.281 8.22 8 47.4 21.6
75 2 5 2 25.702 51.404 0.282 8.2 8 22.2 4.7
76 3 4 1 25.866 51.733 0.283 8.08 8 32.3 9.8
77 0 0 6 25.939 51.878 0.284 8.03 2 178.6 74.8
78 0 6 2 25.952 51.904 0.284 8.02 4 70.6 23.4
79 3 0 4 26.161 52.322 0.286 7.87 4 76.2 26.7
80 4 0 0 26.162 52.325 0.286 7.87 2 65.8 10.0
81 3 1 4 26.502 53.004 0.29 7.64 8 22.5 4.5
82 4 1 0 26.503 53.006 0.29 7.64 4 33.6 5.0
83 3 3 3 26.547 53.094 0.29 7.61 8 131.4 153.7
84 2 2 5 26.593 53.185 0.291 7.58 8 28.7 7.3
85 1 0 6 26.813 53.627 0.293 7.44 4 188.0 153.9
86 1 6 2 26.826 53.652 0.293 7.44 8 117.9 121.0
87 4 1 1 26.882 53.765 0.294 7.4 8 152.6 201.5
88 3 4 2 27.012 54.024 0.295 7.32 8 262.9 591.9
89 1 1 6 27.148 54.297 0.296 7.24 8 1.2 0.0
90 0 4 5 27.171 54.343 0.296 7.22 4 18.4 1.4
91 2 4 4 27.226 54.451 0.297 7.19 8 138.6 161.6
92 0 2 6 27.292 54.584 0.298 7.15 4 3.5 0.1
93 3 2 4 27.507 55.013 0.3 7.02 8 47.1 18.2
94 4 2 0 27.508 55.016 0.3 7.02 4 301.0 372.2
95 2 5 3 27.601 55.203 0.301 6.97 8 130.3 138.3
96 1 5 4 27.654 55.307 0.301 6.94 8 25.0 5.1
97 4 0 2 27.671 55.343 0.301 6.93 4 115.9 54.5
98 0 6 3 27.839 55.678 0.303 6.83 4 94.7 35.9
99 4 2 1 27.878 55.756 0.304 6.81 8 7.2 0.4
100 2 6 0 27.893 55.785 0.304 6.8 4 179.0 127.5
101 4 1 2 27.999 55.999 0.305 6.75 8 40.9 13.2
102 1 4 5 28.019 56.039 0.305 6.73 8 38.0 11.4
103 1 2 6 28.137 56.275 0.306 6.67 8 120.5 113.3
104 2 3 5 28.25 56.5 0.307 6.61 8 242.7 455.4
105 2 6 1 28.259 56.518 0.307 6.61 8 13.7 1.4
106 1 6 3 28.674 57.348 0.311 6.39 8 51.7 20.0
107 3 4 3 28.852 57.704 0.313 6.3 8 94.1 65.3
108 3 5 1 28.855 57.71 0.313 6.3 8 84.1 52.1
109 4 2 2 28.969 57.938 0.314 6.25 8 11.4 0.9
110 3 3 4 29.129 58.258 0.316 6.17 8 10.1 0.7
111 4 3 0 29.13 58.26 0.316 6.17 4 103.9 38.9
112 2 0 6 29.329 58.658 0.318 6.07 4 130.8 60.7
113 2 6 2 29.341 58.682 0.318 6.07 8 45.9 15.0
114 4 3 1 29.487 58.974 0.32 6.0 8 186.4 244.0
115 2 1 6 29.645 59.291 0.321 5.93 8 16.8 2.0
116 1 3 6 29.737 59.475 0.322 5.89 8 73.2 36.9
117 3 1 5 29.798 59.596 0.323 5.86 8 14.1 1.4
118 4 1 3 29.799 59.598 0.323 5.86 8 143.9 141.9
119 3 5 2 29.923 59.847 0.324 5.81 8 33.4 7.6
120 1 7 1 29.947 59.893 0.324 5.8 8 82.0 45.6
121 2 5 4 30.123 60.247 0.326 5.72 8 84.7 48.0
122 0 6 4 30.348 60.697 0.328 5.63 4 159.2 83.4
123 2 4 5 30.47 60.94 0.329 5.58 8 62.7 25.6
124 4 3 2 30.541 61.083 0.33 5.55 8 2.5 0.0
125 2 2 6 30.582 61.164 0.33 5.53 8 16.0 1.7
126 3 2 5 30.732 61.463 0.332 5.47 8 18.5 2.2
127 4 2 3 30.733 61.465 0.332 5.47 8 53.3 18.2
128 1 5 5 30.869 61.738 0.333 5.42 8 158.2 158.6
129 1 7 2 30.992 61.984 0.334 5.37 8 150.1 141.5
130 2 6 3 31.092 62.184 0.335 5.33 8 25.0 3.9
131 0 4 6 31.112 62.224 0.335 5.32 4 28.0 2.4
132 1 6 4 31.141 62.281 0.336 5.31 8 9.1 0.5
133 3 4 4 31.31 62.62 0.337 5.25 8 46.2 13.1
134 4 4 0 31.311 62.622 0.337 5.25 4 179.6 99.1
135 4 4 1 31.653 63.306 0.341 5.13 8 73.1 32.0
136 3 5 3 31.655 63.31 0.341 5.13 8 37.0 8.2
137 1 1 7 31.775 63.551 0.342 5.08 8 198.4 233.9
138 1 4 6 31.893 63.787 0.343 5.04 8 125.7 93.2
139 0 2 7 31.906 63.811 0.343 5.04 4 54.0 8.6
140 4 0 4 31.912 63.825 0.343 5.04 4 236.7 165.0
141 2 7 0 31.969 63.938 0.344 5.02 4 128.2 48.2
142 2 3 6 32.107 64.214 0.345 4.97 8 22.3 2.9
143 4 1 4 32.214 64.427 0.346 4.93 8 7.2 0.3
144 3 3 5 32.252 64.505 0.346 4.92 8 53.8 16.7
145 4 3 3 32.254 64.507 0.346 4.92 8 123.2 87.3
146 3 6 1 32.261 64.522 0.346 4.92 8 91.8 48.4
147 2 7 1 32.307 64.614 0.347 4.9 8 147.7 125.2
148 4 4 2 32.667 65.333 0.35 4.79 8 74.9 31.4
149 1 2 7 32.676 65.353 0.35 4.78 8 7.8 0.3
150 1 7 3 32.691 65.381 0.351 4.78 8 159.4 142.1
151 4 2 4 33.108 66.216 0.355 4.65 8 156.9 134.0
152 2 5 5 33.192 66.384 0.355 4.63 8 210.5 239.8
153 3 0 6 33.254 66.507 0.356 4.61 4 267.2 192.4
154 3 6 2 33.265 66.53 0.356 4.61 8 242.7 317.3
155 2 7 2 33.31 66.62 0.356 4.59 8 47.6 12.2
156 0 8 0 33.377 66.755 0.357 4.57 2 194.5 50.6
157 0 6 5 33.405 66.811 0.357 4.56 4 142.5 54.2
158 2 6 4 33.453 66.907 0.358 4.55 8 12.5 0.8
159 3 1 6 33.548 67.097 0.359 4.52 8 7.6 0.3
160 0 8 1 33.708 67.416 0.36 4.48 4 96.4 24.4
161 3 5 4 33.995 67.99 0.363 4.4 8 16.3 1.4
162 4 5 0 33.996 67.992 0.363 4.4 4 93.3 22.4
163 2 1 7 34.065 68.13 0.364 4.38 8 93.1 44.4
164 5 1 1 34.068 68.137 0.364 4.38 8 193.2 191.2
165 1 3 7 34.15 68.301 0.364 4.36 8 267.9 366.0
166 1 6 5 34.159 68.317 0.364 4.36 8 51.2 13.4
167 2 4 6 34.179 68.358 0.365 4.35 8 3.7 0.1
168 3 4 5 34.32 68.64 0.366 4.31 8 75.4 28.7
169 4 4 3 34.321 68.642 0.366 4.31 8 34.8 6.1
170 4 5 1 34.324 68.648 0.366 4.31 8 125.3 79.2
171 3 2 6 34.425 68.85 0.367 4.29 8 243.5 297.3
172 1 8 1 34.458 68.916 0.367 4.28 8 60.0 18.0
173 1 5 6 34.555 69.109 0.368 4.25 8 124.1 76.7
174 4 3 4 34.573 69.146 0.368 4.25 8 59.0 17.3
175 0 8 2 34.691 69.381 0.369 4.22 4 79.7 15.7
176 5 0 2 34.758 69.515 0.37 4.2 4 39.0 3.7
177 3 6 3 34.905 69.81 0.371 4.17 8 110.1 59.1
178 2 2 7 34.936 69.872 0.372 4.16 8 61.3 18.3
179 5 2 1 34.939 69.878 0.372 4.16 8 55.8 15.1
180 2 7 3 34.95 69.899 0.372 4.16 8 65.4 20.8
181 1 7 4 34.995 69.991 0.372 4.15 8 9.9 0.5
182 5 1 2 35.046 70.092 0.373 4.13 8 12.1 0.7
183 4 1 5 35.183 70.367 0.374 4.1 8 157.3 118.7
184 4 5 2 35.298 70.597 0.375 4.07 8 26.2 3.3
185 1 8 2 35.431 70.862 0.376 4.04 8 142.9 96.6
186 0 4 7 35.431 70.863 0.376 4.04 4 26.0 1.6
187 0 0 8 35.677 71.354 0.379 3.99 2 340.7 135.4
188 3 3 6 35.865 71.729 0.38 3.95 8 24.1 2.7
189 5 2 2 35.906 71.812 0.381 3.94 8 50.8 11.9
190 4 2 5 36.042 72.084 0.382 3.91 8 6.0 0.2
191 3 7 1 36.055 72.109 0.382 3.91 8 15.4 1.1
192 1 4 7 36.165 72.33 0.383 3.88 8 54.1 13.3
193 0 8 3 36.301 72.602 0.384 3.86 4 88.0 17.5
194 2 8 0 36.347 72.695 0.385 3.85 4 17.9 0.7
195 2 3 7 36.366 72.732 0.385 3.84 8 78.7 27.8
196 5 3 1 36.37 72.739 0.385 3.84 8 102.3 47.0
197 2 6 5 36.374 72.749 0.385 3.84 8 4.4 0.1
198 1 0 8 36.409 72.817 0.385 3.83 4 53.6 6.4
199 4 4 4 36.577 73.155 0.387 3.8 8 132.7 78.2
200 5 1 3 36.65 73.3 0.387 3.79 8 178.1 140.5
201 2 8 1 36.666 73.331 0.388 3.78 8 69.4 21.3
202 1 1 8 36.692 73.384 0.388 3.78 8 16.8 1.2
203 2 5 6 36.76 73.52 0.388 3.77 8 38.3 6.5
204 0 2 8 36.813 73.627 0.389 3.76 4 137.9 41.7
205 3 5 5 36.897 73.793 0.39 3.74 8 61.7 16.6
206 4 5 3 36.898 73.796 0.39 3.74 8 113.3 56.2
207 0 6 6 36.964 73.928 0.39 3.73 4 119.4 31.1
208 3 7 2 37.01 74.019 0.391 3.72 8 3.8 0.1
209 1 8 3 37.028 74.056 0.391 3.71 8 65.9 18.9
210 3 6 4 37.146 74.293 0.392 3.69 8 50.5 11.0
211 4 6 0 37.147 74.295 0.392 3.69 4 120.2 31.2
212 2 7 4 37.19 74.379 0.392 3.68 8 152.8 100.7
213 5 3 2 37.321 74.643 0.394 3.66 8 83.4 29.7
214 4 3 5 37.455 74.91 0.395 3.64 8 162.3 112.1
215 4 6 1 37.463 74.927 0.395 3.64 8 64.5 17.7
216 5 2 3 37.495 74.99 0.395 3.63 8 57.6 14.1
217 1 2 8 37.536 75.073 0.395 3.62 8 37.9 6.1
218 2 8 2 37.615 75.23 0.396 3.61 8 46.2 9.0
219 1 6 6 37.686 75.372 0.397 3.6 8 95.8 38.6
220 3 1 7 37.732 75.463 0.397 3.59 8 93.1 36.4
221 3 4 6 37.841 75.682 0.398 3.57 8 186.8 145.7
222 1 7 5 37.864 75.729 0.398 3.57 8 102.3 43.7
223 2 4 7 38.333 76.666 0.403 3.49 8 14.2 0.8
224 5 4 1 38.336 76.673 0.403 3.49 8 14.6 0.9
225 4 0 6 38.395 76.789 0.403 3.48 4 57.0 6.6
226 4 6 2 38.405 76.811 0.403 3.48 8 85.2 29.6
227 0 8 4 38.51 77.021 0.404 3.46 4 204.8 84.9
228 3 2 7 38.568 77.137 0.405 3.45 8 65.6 17.4
229 2 0 8 38.571 77.143 0.405 3.45 4 137.3 38.1
230 5 0 4 38.575 77.149 0.405 3.45 4 56.3 6.4
231 3 7 3 38.582 77.163 0.405 3.45 8 6.5 0.2
232 4 1 6 38.673 77.345 0.406 3.44 8 47.0 8.9
233 1 5 7 38.692 77.385 0.406 3.43 8 122.8 60.6
234 2 1 8 38.849 77.698 0.407 3.41 8 5.9 0.1
235 5 1 4 38.852 77.705 0.407 3.41 8 12.7 0.6
236 5 3 3 38.889 77.779 0.408 3.41 8 240.5 230.3
237 1 3 8 38.93 77.86 0.408 3.4 8 5.0 0.1
238 4 5 4 39.095 78.19 0.409 3.38 8 46.1 8.4
239 2 8 3 39.179 78.358 0.41 3.36 8 52.5 10.8
240 1 8 4 39.223 78.446 0.41 3.36 8 9.6 0.4
241 1 9 1 39.262 78.525 0.411 3.35 8 178.7 125.3
242 5 4 2 39.272 78.543 0.411 3.35 8 46.8 8.6
243 4 4 5 39.403 78.807 0.412 3.33 8 86.6 29.3
244 4 2 6 39.503 79.007 0.413 3.32 8 81.2 25.6
245 2 2 8 39.679 79.357 0.414 3.3 8 85.3 28.0
246 5 2 4 39.682 79.364 0.414 3.3 8 29.5 3.3
247 2 6 6 39.826 79.651 0.416 3.28 8 91.1 31.8
248 3 3 7 39.951 79.902 0.417 3.26 8 26.5 2.7
249 3 6 5 39.959 79.918 0.417 3.26 8 63.3 15.3
250 4 6 3 39.96 79.92 0.417 3.26 8 16.4 1.0
251 2 7 5 40.001 80.002 0.417 3.25 8 140.2 74.8
252 0 4 8 40.153 80.306 0.419 3.24 4 182.5 63.0
253 1 9 2 40.192 80.383 0.419 3.23 8 157.4 93.6
254 3 8 1 40.242 80.484 0.419 3.22 8 127.4 61.3
255 3 5 6 40.333 80.667 0.42 3.21 8 23.5 2.1
256 3 7 4 40.751 81.503 0.424 3.17 8 20.6 1.6
257 4 7 0 40.752 81.505 0.424 3.17 4 57.7 6.2
258 2 5 7 40.817 81.634 0.424 3.16 8 58.9 12.8
259 5 4 3 40.817 81.635 0.424 3.16 8 67.0 16.6
260 5 5 1 40.82 81.64 0.424 3.16 8 196.9 143.1
261 1 4 8 40.858 81.715 0.425 3.15 8 39.4 5.7
262 4 3 6 40.878 81.755 0.425 3.15 8 36.8 5.0
263 0 6 7 41.015 82.029 0.426 3.14 4 41.7 3.2
264 2 3 8 41.051 82.103 0.426 3.13 8 49.1 8.8
265 5 3 4 41.055 82.109 0.426 3.13 8 8.8 0.3
266 4 7 1 41.06 82.12 0.426 3.13 8 120.7 53.3
267 2 9 0 41.072 82.145 0.426 3.13 4 146.6 39.4
268 3 8 2 41.166 82.331 0.427 3.12 8 154.0 86.6
269 1 7 6 41.277 82.554 0.428 3.11 8 73.6 19.7
270 0 8 5 41.296 82.592 0.428 3.11 4 125.1 28.4
271 2 8 4 41.34 82.681 0.429 3.1 8 127.0 58.5
272 2 9 1 41.379 82.759 0.429 3.1 8 107.3 41.7
273 6 0 0 41.405 82.809 0.429 3.1 2 155.4 21.9
274 5 1 5 41.632 83.264 0.431 3.07 8 96.8 33.7
275 6 1 0 41.678 83.355 0.432 3.07 4 7.0 0.1
276 1 6 7 41.717 83.433 0.432 3.06 8 75.0 20.2
277 1 9 3 41.73 83.459 0.432 3.06 8 26.7 2.5
278 5 5 2 41.741 83.483 0.432 3.06 8 89.8 28.9
279 3 4 7 41.868 83.735 0.433 3.05 8 49.6 8.8
280 4 5 5 41.871 83.743 0.433 3.05 8 97.2 33.7
281 1 1 9 41.979 83.958 0.434 3.04 8 22.5 1.8
282 4 7 2 41.98 83.961 0.434 3.04 8 51.2 9.3
283 6 1 1 41.984 83.968 0.434 3.04 8 55.1 10.8
284 1 8 5 41.997 83.994 0.434 3.04 8 24.8 2.2
285 0 2 9 42.096 84.192 0.435 3.03 4 4.8 0.0
286 3 0 8 42.101 84.202 0.435 3.03 4 85.3 12.9
287 4 6 4 42.113 84.225 0.435 3.03 8 180.3 115.1
288 2 9 2 42.299 84.597 0.437 3.01 8 9.7 0.3
289 3 1 8 42.373 84.747 0.437 3.01 8 29.2 3.0
290 5 2 5 42.449 84.899 0.438 3.0 8 22.2 1.7
291 6 2 0 42.495 84.99 0.438 2.99 4 210.5 77.6
292 6 0 2 42.629 85.259 0.44 2.98 4 100.5 17.6
293 4 1 7 42.68 85.36 0.44 2.98 8 72.3 18.2
294 3 8 3 42.697 85.394 0.44 2.98 8 121.6 51.5
295 4 4 6 42.786 85.573 0.441 2.97 8 75.1 19.6
296 1 2 9 42.795 85.59 0.441 2.97 8 35.6 4.4
297 6 2 1 42.8 85.601 0.441 2.97 8 54.0 10.1
298 6 1 2 42.901 85.803 0.442 2.96 8 49.0 8.3
299 2 4 8 42.959 85.918 0.442 2.96 8 37.7 4.9
300 5 4 4 42.962 85.924 0.442 2.96 8 6.1 0.1
301 3 2 8 43.189 86.378 0.444 2.94 8 99.1 33.7
302 5 5 3 43.27 86.54 0.445 2.93 8 116.4 46.5
303 1 5 8 43.31 86.62 0.445 2.93 8 27.8 2.6
304 3 6 6 43.334 86.667 0.445 2.93 8 209.9 151.0
305 2 7 6 43.375 86.751 0.446 2.93 8 16.4 0.9
306 0 10 0 43.447 86.895 0.446 2.92 2 150.4 19.3
307 4 2 7 43.495 86.99 0.447 2.92 8 26.2 2.4
308 3 7 5 43.507 87.013 0.447 2.92 8 8.4 0.2
309 4 7 3 43.508 87.016 0.447 2.92 8 109.3 40.7
310 6 2 2 43.716 87.431 0.449 2.9 8 6.1 0.1
311 0 10 1 43.752 87.505 0.449 2.9 4 130.9 29.0
312 5 3 5 43.807 87.615 0.449 2.9 8 164.1 91.2
313 2 6 7 43.812 87.624 0.449 2.9 8 19.0 1.2
314 5 6 1 43.815 87.63 0.449 2.9 8 23.3 1.8
315 2 9 3 43.825 87.65 0.449 2.9 8 64.9 14.3
316 6 3 0 43.852 87.705 0.45 2.89 4 14.3 0.3
317 1 9 4 43.868 87.736 0.45 2.89 8 41.9 5.9
318 2 1 9 44.073 88.145 0.452 2.88 8 221.3 165.0
319 2 8 5 44.091 88.182 0.452 2.88 8 84.2 23.9
320 1 3 9 44.152 88.304 0.452 2.88 8 129.1 56.0
321 6 3 1 44.157 88.314 0.452 2.87 8 53.2 9.5
322 3 5 7 44.312 88.625 0.453 2.87 8 86.9 25.3
323 6 1 3 44.426 88.851 0.454 2.86 8 26.7 2.4
324 1 10 1 44.449 88.898 0.455 2.86 8 72.0 17.3
325 3 3 8 44.545 89.09 0.455 2.85 8 8.6 0.2
326 0 8 6 44.656 89.312 0.456 2.85 4 30.2 1.5
327 0 10 2 44.666 89.332 0.456 2.85 4 11.3 0.2
328 5 0 6 44.719 89.437 0.457 2.84 4 69.5 8.0
329 5 6 2 44.729 89.458 0.457 2.84 8 26.6 2.4
330 3 8 4 44.831 89.662 0.458 2.84 8 19.6 1.3
331 4 8 0 44.832 89.665 0.458 2.84 4 173.9 50.2
332 4 3 7 44.85 89.701 0.458 2.84 8 82.4 22.5
333 4 6 5 44.858 89.716 0.458 2.84 8 41.2 5.6
334 3 9 1 44.87 89.74 0.458 2.83 8 71.9 17.1
335 2 2 9 44.886 89.772 0.458 2.83 8 38.9 5.0
336 5 1 6 44.99 89.979 0.459 2.83 8 22.0 1.6
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 0 2 0 7.905 15.811 5.6005 1422.5 53.2 53.7 5.6
2 0 0 2 8.384 16.768 5.283 101.9 3.8 3.8 5.6
3 1 1 1 8.568 17.135 5.17045 2616.4 97.9 98.7 5.6
4 1 0 2 10.532 21.064 4.21421 1616.0 60.4 60.8 5.6
5 1 2 1 10.996 21.992 4.03838 102.6 3.8 3.9 5.6
6 1 1 2 11.262 22.523 3.94428 113.7 4.3 4.3 5.6
7 2 0 0 12.736 25.472 3.494 277.1 10.4 10.4 5.6
8 1 2 2 13.223 26.447 3.36737 2033.6 76.1 76.2 5.6
9 2 1 1 14.015 28.029 3.18076 2333.5 87.3 87.3 5.6
10 1 3 1 14.182 28.364 3.14393 2673.3 100.0 100.0 5.6
11 1 1 3 14.737 29.474 3.02801 2093.5 78.3 78.2 5.6
12 0 2 3 14.973 29.945 2.98145 52.8 2.0 2.0 5.6
13 2 2 0 15.061 30.121 2.96441 463.6 17.3 17.3 5.6
14 2 0 2 15.326 30.652 2.91429 603.0 22.6 22.5 5.6
15 0 4 0 15.967 31.933 2.80025 666.8 24.9 24.9 5.6
16 1 3 2 16.0 31.999 2.79462 107.4 4.0 4.0 5.6
17 0 4 1 16.533 33.067 2.7068 49.2 1.8 1.8 5.6
18 0 0 4 16.954 33.908 2.6415 269.3 10.1 10.0 5.7
19 2 2 2 17.335 34.67 2.58523 365.5 13.7 13.6 5.7
20 2 3 0 17.574 35.148 2.55115 38.3 1.4 1.4 5.7
21 1 4 1 17.769 35.537 2.52406 32.0 1.2 1.2 5.7
22 2 3 1 18.096 36.192 2.47989 441.1 16.5 16.4 5.7
23 0 4 2 18.139 36.279 2.47417 83.3 3.1 3.1 5.7
24 2 1 3 18.546 37.091 2.4218 244.7 9.2 9.1 5.7
25 1 3 3 18.677 37.353 2.40542 338.8 12.7 12.6 5.7
26 0 2 4 18.809 37.618 2.3891 1203.0 45.0 44.6 5.7
27 1 4 2 19.285 38.57 2.3323 960.1 35.9 35.6 5.7
28 2 2 3 19.854 39.709 2.26798 33.4 1.2 1.2 5.7
29 2 4 1 21.099 42.197 2.13981 76.6 2.9 2.8 5.7
30 3 0 2 21.186 42.373 2.13136 681.1 25.5 25.2 5.7
31 3 2 1 21.438 42.876 2.10751 148.7 5.6 5.5 5.7
32 1 4 3 21.611 43.222 2.09142 97.5 3.6 3.6 5.7
33 2 1 4 21.837 43.675 2.07078 118.9 4.4 4.4 5.7
34 2 3 3 21.89 43.78 2.06608 295.1 11.0 10.9 5.7
35 2 4 2 22.425 44.851 2.01919 63.4 2.4 2.3 5.7
36 3 2 2 22.749 45.497 1.99198 1460.1 54.6 53.7 5.7
37 0 2 5 22.929 45.858 1.97714 307.0 11.5 11.3 5.7
38 2 2 4 22.991 45.981 1.97214 464.2 17.4 17.1 5.7
39 3 3 1 23.361 46.722 1.94258 71.1 2.7 2.6 5.7
40 0 4 4 23.633 47.266 1.92149 910.3 34.1 33.4 5.7
41 2 5 0 24.107 48.215 1.88587 183.7 6.9 6.7 5.7
42 0 6 0 24.369 48.738 1.86683 349.8 13.1 12.8 5.7
43 2 5 1 24.513 49.027 1.85653 360.3 13.5 13.2 5.7
44 0 6 1 24.772 49.543 1.83836 173.8 6.5 6.4 5.7
45 2 3 4 24.819 49.639 1.83505 39.5 1.5 1.4 5.7
46 1 5 3 24.97 49.941 1.82466 783.5 29.3 28.7 5.7
47 2 1 5 25.563 51.126 1.7851 568.6 21.3 20.8 5.8
48 0 0 6 25.939 51.878 1.761 98.2 3.7 3.6 5.8
49 3 0 4 26.161 52.322 1.74708 36.7 1.4 1.3 5.8
50 3 3 3 26.547 53.094 1.72348 153.7 5.8 5.6 5.8
51 1 0 6 26.813 53.627 1.70761 274.9 10.3 10.0 5.8
52 4 1 1 26.882 53.765 1.70355 201.5 7.5 7.3 5.8
53 3 4 2 27.012 54.024 1.69598 591.9 22.1 21.6 5.8
54 2 4 4 27.226 54.451 1.68369 161.6 6.0 5.9 5.8
55 4 2 0 27.508 55.016 1.66774 390.4 14.6 14.2 5.8
56 2 5 3 27.601 55.203 1.66253 138.3 5.2 5.0 5.8
57 4 0 2 27.671 55.343 1.65866 59.5 2.2 2.2 5.8
58 0 6 3 27.839 55.678 1.64945 35.9 1.3 1.3 5.8
59 2 6 0 27.893 55.785 1.64655 127.5 4.8 4.6 5.8
60 1 2 6 28.137 56.275 1.63338 113.3 4.2 4.1 5.8
61 2 3 5 28.25 56.5 1.6274 456.9 17.1 16.6 5.8
62 3 4 3 28.852 57.704 1.59628 117.4 4.4 4.3 5.8
63 4 3 0 29.13 58.26 1.58235 38.9 1.5 1.4 5.8
64 2 0 6 29.329 58.658 1.57256 75.7 2.8 2.7 5.8
65 4 3 1 29.487 58.974 1.5649 244.0 9.1 8.8 5.8
66 1 3 6 29.737 59.475 1.55291 36.9 1.4 1.3 5.8
67 4 1 3 29.799 59.598 1.54999 143.3 5.4 5.2 5.8
68 1 7 1 29.947 59.893 1.54305 53.2 2.0 1.9 5.8
69 2 5 4 30.123 60.247 1.53484 48.0 1.8 1.7 5.8
70 0 6 4 30.348 60.697 1.52453 83.4 3.1 3.0 5.8
71 1 5 5 30.869 61.738 1.5013 158.6 5.9 5.7 5.8
72 1 7 2 30.992 61.984 1.49594 141.5 5.3 5.1 5.8
73 4 4 0 31.311 62.622 1.4822 112.2 4.2 4.0 5.8
74 4 4 1 31.653 63.306 1.46783 40.2 1.5 1.4 5.9
75 1 1 7 31.775 63.551 1.46277 233.9 8.8 8.4 5.9
76 4 0 4 31.912 63.825 1.45715 266.8 10.0 9.6 5.9
77 2 7 0 31.969 63.938 1.45483 48.2 1.8 1.7 5.9
78 3 6 1 32.261 64.522 1.44307 152.4 5.7 5.5 5.9
79 2 7 1 32.307 64.614 1.44124 125.2 4.7 4.5 5.9
80 1 7 3 32.691 65.381 1.42617 173.9 6.5 6.2 5.9
81 4 2 4 33.108 66.216 1.4102 134.0 5.0 4.8 5.9
82 2 5 5 33.192 66.384 1.40704 239.8 9.0 8.6 5.9
83 3 6 2 33.265 66.53 1.40432 509.7 19.1 18.2 5.9
84 0 6 5 33.405 66.811 1.39908 104.8 3.9 3.7 5.9
85 5 1 1 34.068 68.137 1.37505 235.7 8.8 8.4 5.9
86 1 3 7 34.15 68.301 1.37215 379.4 14.2 13.5 5.9
87 4 5 1 34.324 68.648 1.36606 114.1 4.3 4.1 5.9
88 3 2 6 34.425 68.85 1.36253 297.3 11.1 10.6 5.9
89 1 5 6 34.555 69.109 1.35806 94.0 3.5 3.3 5.9
90 3 6 3 34.905 69.81 1.34613 59.1 2.2 2.1 5.9
91 2 7 3 34.95 69.899 1.34463 54.2 2.0 1.9 5.9
92 4 1 5 35.183 70.367 1.33684 118.7 4.4 4.2 5.9
93 1 8 2 35.431 70.862 1.32871 98.2 3.7 3.5 5.9
94 0 0 8 35.677 71.354 1.32075 135.4 5.1 4.8 5.9
95 5 3 1 36.37 72.739 1.29898 74.9 2.8 2.6 6.0
96 4 4 4 36.577 73.155 1.29261 78.2 2.9 2.8 6.0
97 5 1 3 36.65 73.3 1.29041 161.9 6.1 5.7 6.0
98 0 2 8 36.813 73.627 1.28549 41.7 1.6 1.5 6.0
99 4 5 3 36.898 73.796 1.28297 72.8 2.7 2.6 6.0
100 0 6 6 36.964 73.928 1.281 31.1 1.2 1.1 6.0
101 4 6 0 37.147 74.295 1.27558 42.2 1.6 1.5 6.0
102 2 7 4 37.19 74.379 1.27434 100.7 3.8 3.5 6.0
103 5 3 2 37.321 74.643 1.27049 29.7 1.1 1.0 6.0
104 4 3 5 37.455 74.91 1.26661 129.8 4.9 4.6 6.0
105 1 6 6 37.686 75.372 1.26 38.6 1.4 1.4 6.0
106 3 1 7 37.732 75.463 1.2587 36.4 1.4 1.3 6.0
107 3 4 6 37.841 75.682 1.25561 189.4 7.1 6.7 6.0
108 4 6 2 38.405 76.811 1.23995 36.2 1.4 1.3 6.0
109 0 8 4 38.51 77.021 1.23709 84.9 3.2 3.0 6.0
110 2 0 8 38.571 77.143 1.23543 62.0 2.3 2.2 6.0
111 1 5 7 38.692 77.385 1.23218 69.5 2.6 2.4 6.0
112 5 3 3 38.889 77.779 1.22692 230.3 8.6 8.1 6.0
113 1 9 1 39.262 78.525 1.21712 133.9 5.0 4.7 6.0
114 4 4 5 39.403 78.807 1.21347 29.3 1.1 1.0 6.0
115 2 2 8 39.679 79.357 1.20643 31.4 1.2 1.1 6.0
116 2 6 6 39.826 79.651 1.20271 31.8 1.2 1.1 6.0
117 2 7 5 40.001 80.002 1.19831 74.8 2.8 2.6 6.0
118 0 4 8 40.153 80.306 1.19455 63.0 2.4 2.2 6.0
119 1 9 2 40.192 80.383 1.19359 93.6 3.5 3.3 6.0
120 3 8 1 40.242 80.484 1.19236 61.3 2.3 2.1 6.0
121 5 5 1 40.82 81.64 1.17837 172.6 6.5 6.0 6.1
122 2 9 0 41.072 82.145 1.1724 101.8 3.8 3.5 6.1
123 3 8 2 41.166 82.331 1.17021 86.6 3.2 3.0 6.1
124 0 8 5 41.296 82.592 1.16718 48.1 1.8 1.7 6.1
125 2 8 4 41.34 82.681 1.16615 58.5 2.2 2.0 6.1
126 2 9 1 41.379 82.759 1.16525 63.6 2.4 2.2 6.1
127 5 1 5 41.632 83.264 1.15945 33.7 1.3 1.2 6.1
128 5 5 2 41.741 83.483 1.15698 51.6 1.9 1.8 6.1
129 4 5 5 41.871 83.743 1.15405 42.5 1.6 1.5 6.1
130 4 6 4 42.113 84.225 1.14866 128.0 4.8 4.4 6.1
131 6 2 0 42.495 84.99 1.14027 77.6 2.9 2.7 6.1
132 3 8 3 42.697 85.394 1.1359 69.7 2.6 2.4 6.1
133 4 4 6 42.786 85.573 1.13399 34.1 1.3 1.2 6.1
134 3 2 8 43.189 86.378 1.12548 33.7 1.3 1.2 6.1
135 5 5 3 43.27 86.54 1.12378 46.5 1.7 1.6 6.1
136 3 6 6 43.334 86.667 1.12246 153.6 5.7 5.3 6.1
137 4 7 3 43.508 87.016 1.11886 43.3 1.6 1.5 6.1
138 0 10 1 43.752 87.505 1.11386 29.0 1.1 1.0 6.2
139 5 3 5 43.807 87.615 1.11274 108.6 4.1 3.7 6.2
140 2 1 9 44.073 88.145 1.10741 188.9 7.1 6.4 6.2
141 1 3 9 44.152 88.304 1.10583 65.6 2.5 2.2 6.2
142 4 6 5 44.858 89.716 1.09205 101.7 3.8 3.5 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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