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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TIVANITE
1
VTiO(3)OH
Monoclinic P 2(1)/c Z = 4
R =0.12 NR =97
23 .6 .1997
Ref.Str.:
Grey I.E., Nickel E.N. (1981)
* Amer. Mineral., 66, 866-871
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.494 alpha = 90.0
b = 4.552 beta = 129.79
c = 10.005 gamma = 90.0
Unit cell volume (cub. angs.) = 262.25
Molar volume ( cub.cm/mol.) = 39.49
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.105 0.019 0.183 0.0 Ti = 1.00
2 0.351 0.019 0.579 0.0 V = 1.00
3 0.134 0.238 0.355 0.0 O = 1.00
4 0.39 0.239 0.75 0.0 O = 1.00
5 0.636 0.273 0.107 0.0 O = 1.00
6 0.866 0.263 0.459 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.105 0.019 0.183
2 2 0.351 0.019 0.579
3 3 0.134 0.238 0.355
4 4 0.39 0.239 0.75
5 5 0.636 0.273 0.107
6 6 0.866 0.263 0.459
7 1 0.895 0.519 0.317
8 2 0.649 0.519 0.921
9 3 0.866 0.738 0.145
10 4 0.61 0.739 0.75
11 5 0.364 0.773 0.393
12 6 0.134 0.763 0.041
13 1 0.105 0.481 0.683
14 2 0.351 0.481 0.079
15 3 0.134 0.262 0.855
16 4 0.39 0.261 0.25
17 5 0.636 0.227 0.607
18 6 0.866 0.237 0.959
19 1 0.895 0.981 0.817
20 2 0.649 0.981 0.421
21 3 0.866 0.762 0.645
22 4 0.61 0.761 0.25
23 5 0.364 0.727 0.893
24 6 0.134 0.737 0.541
X-ray density (g/cm cub.) = 4.12
MU (1/cm) = 571.414 Mass attenuation coefficient (cm**2/g) = 138.595
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ti 2.568 6
1.8771 3
2.029 3
2.0533 5
1.9542 6
2.0957 4
2.0193 6
2 V 2.496 6
1.999 3
1.8372 4
2.0171 4
2.2268 5
2.1842 5
1.9093 6
3 O 3.264 12
3.0975 4
2.8736 5
2.7936 6
2.8683 3
2.8683 3
2.8649 5
2.5994 5
2.7156 4
2.8934 5
3.0897 6
2.9364 6
2.9435 6
4 O 3.264 12
3.0975 3
2.7843 5
3.0455 6
2.8104 4
2.8104 4
2.7156 3
2.9706 5
2.7477 6
2.7159 5
2.806 5
2.8385 6
2.8531 6
5 O 3.264 12
2.8736 3
2.7843 4
2.7579 6
2.5994 3
2.8649 3
2.8934 3
2.9706 4
2.9081 6
2.7159 4
2.806 4
2.7247 5
3.0545 5
6 O 3.264 12
2.7936 3
3.0455 4
2.7579 5
3.0897 3
2.7477 4
2.9081 5
2.9364 3
2.9435 3
2.8385 4
2.8531 4
2.6932 6
2.8863 6
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 7.687 15.375 0.087 108.82 2 18.9 112.7
2 1 0 -2 8.863 17.727 0.1 81.31 2 17.4 71.9
3 0 1 1 11.342 22.683 0.128 48.82 4 30.9 270.8
4 1 1 -1 11.451 22.902 0.129 47.86 4 79.3 1750.7
5 0 0 2 11.56 23.12 0.13 46.92 2 16.9 38.8
6 2 0 -2 11.984 23.967 0.135 43.51 2 18.0 40.8
7 1 1 0 12.457 24.914 0.14 40.11 4 8.8 17.9
8 1 1 -2 13.23 26.459 0.149 35.33 4 2.0 0.8
9 0 1 2 15.205 30.411 0.17 26.27 4 0.4 0.0
10 2 0 0 15.518 31.035 0.174 25.15 2 6.4 3.0
11 2 1 -2 15.537 31.073 0.174 25.08 4 7.4 8.0
12 1 1 1 15.755 31.509 0.176 24.34 4 42.1 250.7
13 2 1 -1 15.996 31.992 0.179 23.55 4 113.6 1768.7
14 1 1 -3 16.993 33.986 0.19 20.66 4 103.6 1288.8
15 2 1 -3 17.219 34.438 0.192 20.07 4 23.4 64.0
16 1 0 2 17.692 35.385 0.197 18.92 2 78.6 340.1
17 2 0 -4 17.948 35.896 0.2 18.33 2 63.9 217.7
18 3 0 -2 18.269 36.538 0.203 17.63 2 74.8 286.6
19 2 1 0 18.455 36.91 0.205 17.25 4 0.4 0.0
20 1 0 -4 19.36 38.721 0.215 15.52 2 21.4 20.7
21 0 2 0 19.782 39.563 0.22 14.79 2 36.9 58.4
22 3 0 -4 19.896 39.791 0.221 14.6 2 47.4 95.6
23 0 1 3 20.178 40.357 0.224 14.15 4 59.9 295.4
24 1 1 2 20.355 40.711 0.226 13.88 4 67.0 362.3
25 2 1 -4 20.583 41.166 0.228 13.54 4 61.3 295.8
26 0 2 1 20.668 41.336 0.229 13.42 4 1.5 0.2
27 1 2 -1 20.732 41.464 0.23 13.32 4 27.1 57.0
28 3 1 -3 20.76 41.519 0.23 13.28 4 15.5 18.5
29 3 1 -2 20.869 41.738 0.231 13.13 4 81.7 509.8
30 1 2 0 21.341 42.681 0.236 12.49 4 13.6 13.4
31 1 2 -2 21.83 43.661 0.241 11.87 4 16.9 19.6
32 1 1 -4 21.851 43.703 0.242 11.84 4 22.8 35.7
33 3 1 -4 22.337 44.674 0.247 11.27 4 12.7 10.6
34 2 1 1 22.347 44.693 0.247 11.26 4 58.7 225.5
35 3 1 -1 22.646 45.292 0.25 10.93 4 19.9 25.2
36 0 2 2 23.161 46.322 0.255 10.38 4 3.7 0.8
37 2 2 -2 23.394 46.788 0.258 10.15 4 26.4 41.3
38 1 2 1 23.549 47.098 0.259 10.0 4 12.3 8.8
39 0 0 4 23.627 47.254 0.26 9.93 2 35.0 35.4
40 3 0 0 23.66 47.319 0.26 9.89 2 26.2 19.8
41 2 2 -1 23.722 47.444 0.261 9.84 4 3.3 0.6
42 1 2 -3 24.451 48.901 0.269 9.18 4 15.5 12.9
43 4 0 -4 24.536 49.072 0.27 9.11 2 25.0 16.5
44 2 2 -3 24.619 49.237 0.27 9.04 4 13.0 8.9
45 2 1 -5 25.077 50.154 0.275 8.67 4 5.7 1.6
46 2 0 2 25.13 50.261 0.276 8.63 2 27.7 19.2
47 3 1 -5 25.352 50.703 0.278 8.46 4 14.0 9.6
48 2 2 0 25.557 51.114 0.28 8.3 4 0.1 0.0
49 1 1 3 25.721 51.442 0.282 8.18 4 13.6 8.8
50 4 0 -2 25.785 51.569 0.282 8.14 2 53.0 66.6
51 0 1 4 25.788 51.576 0.282 8.13 4 0.6 0.0
52 3 1 0 25.818 51.637 0.283 8.11 4 14.1 9.4
53 4 1 -3 26.524 53.048 0.29 7.63 4 6.6 1.9
54 4 1 -4 26.642 53.285 0.291 7.55 4 1.5 0.1
55 0 2 3 26.914 53.827 0.294 7.38 4 19.9 17.1
56 1 2 2 27.056 54.112 0.295 7.29 4 140.8 840.6
57 2 1 2 27.203 54.407 0.297 7.2 4 6.0 1.5
58 2 2 -4 27.239 54.479 0.297 7.18 4 127.3 676.5
59 3 2 -3 27.383 54.766 0.299 7.1 4 0.1 0.0
60 1 1 -5 27.396 54.792 0.299 7.09 4 35.2 51.1
61 3 2 -2 27.472 54.944 0.299 7.04 4 118.2 572.3
62 3 0 -6 27.531 55.063 0.3 7.01 2 40.0 32.7
63 4 1 -2 27.823 55.646 0.303 6.84 4 9.7 3.8
64 4 1 -5 28.166 56.332 0.306 6.66 4 109.3 462.0
65 1 2 -4 28.278 56.556 0.308 6.6 4 11.8 5.4
66 2 0 -6 28.462 56.924 0.309 6.5 2 60.1 68.2
67 3 2 -4 28.682 57.364 0.312 6.39 4 57.9 124.6
68 2 2 1 28.69 57.379 0.312 6.38 4 12.6 5.9
69 3 2 -1 28.94 57.88 0.314 6.26 4 15.3 8.5
70 4 0 -6 29.064 58.128 0.315 6.2 2 36.3 23.8
71 3 1 -6 29.488 58.975 0.32 6.0 4 7.2 1.8
72 1 0 4 29.81 59.621 0.323 5.86 2 16.5 4.6
73 3 1 1 30.078 60.156 0.325 5.74 4 88.7 262.5
74 2 1 -6 30.379 60.759 0.328 5.61 4 23.5 18.0
75 4 1 -1 30.419 60.837 0.329 5.6 4 29.5 28.2
76 4 1 -6 30.958 61.917 0.334 5.38 4 6.4 1.3
77 5 0 -4 30.974 61.949 0.334 5.38 2 35.4 19.6
78 2 2 -5 31.018 62.036 0.334 5.36 4 3.7 0.4
79 0 3 1 31.161 62.322 0.336 5.31 4 20.1 12.5
80 1 3 -1 31.209 62.418 0.336 5.29 4 40.4 50.2
81 3 2 -5 31.257 62.514 0.337 5.27 4 11.3 3.9
82 1 2 3 31.58 63.16 0.34 5.15 4 4.0 0.5
83 0 2 4 31.639 63.277 0.341 5.13 4 22.3 14.8
84 3 2 0 31.666 63.331 0.341 5.12 4 32.9 32.3
85 1 3 0 31.667 63.334 0.341 5.12 4 26.1 20.2
86 1 1 4 31.678 63.356 0.341 5.12 4 14.2 6.0
87 1 0 -6 31.716 63.432 0.341 5.1 2 137.8 282.1
88 0 1 5 31.923 63.847 0.343 5.03 4 85.1 211.7
89 1 3 -2 32.041 64.081 0.344 4.99 4 0.4 0.0
90 4 2 -3 32.287 64.574 0.347 4.91 4 21.9 13.7
91 4 0 0 32.349 64.697 0.347 4.89 2 139.8 277.9
92 4 2 -4 32.392 64.784 0.348 4.88 4 26.1 19.4
93 2 1 3 32.803 65.605 0.352 4.75 4 42.6 50.0
94 5 1 -4 32.803 65.607 0.352 4.74 4 7.0 1.4
95 5 0 -6 32.841 65.682 0.352 4.73 2 106.6 156.5
96 2 2 2 32.891 65.781 0.352 4.72 4 0.3 0.0
97 1 2 -5 33.063 66.126 0.354 4.67 4 12.7 4.4
98 0 3 2 33.078 66.155 0.354 4.66 4 35.0 33.1
99 5 1 -5 33.091 66.182 0.354 4.66 4 4.0 0.4
100 2 3 -2 33.262 66.525 0.356 4.61 4 19.5 10.2
101 1 3 1 33.386 66.771 0.357 4.57 4 31.2 25.9
102 4 2 -2 33.445 66.89 0.358 4.55 4 45.8 55.5
103 3 0 2 33.469 66.937 0.358 4.55 2 8.0 0.8
104 1 1 -6 33.523 67.046 0.358 4.53 4 3.9 0.4
105 2 3 -1 33.524 67.048 0.358 4.53 4 74.9 147.8
106 4 2 -5 33.754 67.507 0.361 4.47 4 7.0 1.3
107 5 1 -3 33.771 67.543 0.361 4.46 4 92.6 222.6
108 1 3 -3 34.111 68.222 0.364 4.37 4 86.9 191.7
109 4 1 0 34.138 68.276 0.364 4.36 4 2.6 0.2
110 5 0 -2 34.201 68.401 0.365 4.35 2 12.8 2.1
111 2 3 -3 34.248 68.495 0.365 4.33 4 26.8 18.1
112 3 1 -7 34.532 69.064 0.368 4.26 4 96.0 228.6
113 5 1 -6 34.618 69.235 0.369 4.24 4 0.2 0.0
114 4 1 -7 34.849 69.697 0.371 4.18 4 1.3 0.0
115 3 2 -6 34.952 69.904 0.372 4.16 4 30.2 22.0
116 2 3 0 35.018 70.036 0.372 4.14 4 0.4 0.0
117 3 1 2 35.23 70.46 0.374 4.09 4 5.3 0.7
118 3 2 1 35.492 70.984 0.377 4.03 4 12.2 3.5
119 2 2 -6 35.769 71.538 0.379 3.97 4 30.6 21.7
120 4 2 -1 35.805 71.61 0.38 3.96 4 0.6 0.0
121 5 1 -2 35.945 71.891 0.381 3.93 4 6.2 0.9
122 0 3 3 36.155 72.31 0.383 3.89 4 51.8 60.7
123 1 3 2 36.276 72.551 0.384 3.86 4 41.8 39.3
124 4 2 -6 36.303 72.605 0.384 3.86 4 14.4 4.6
125 2 1 -7 36.389 72.777 0.385 3.84 4 15.1 5.1
126 2 3 -4 36.432 72.863 0.385 3.83 4 52.7 61.8
127 3 3 -3 36.554 73.108 0.387 3.81 4 18.5 7.5
128 3 3 -2 36.63 73.26 0.387 3.79 4 29.1 18.7
129 0 0 6 36.954 73.908 0.39 3.73 2 21.2 4.9
130 1 2 4 36.97 73.94 0.39 3.73 4 13.9 4.2
131 0 2 5 37.199 74.397 0.392 3.68 4 17.0 6.2
132 5 1 -7 37.315 74.629 0.393 3.66 4 11.2 2.7
133 1 3 -4 37.323 74.646 0.394 3.66 4 5.8 0.7
134 2 0 4 37.432 74.863 0.395 3.64 2 71.0 53.4
135 3 3 -4 37.674 75.347 0.397 3.6 4 22.8 10.9
136 2 3 1 37.681 75.361 0.397 3.6 4 39.5 32.6
137 3 3 -1 37.899 75.798 0.399 3.56 4 11.7 2.8
138 2 2 3 38.021 76.042 0.4 3.54 4 3.8 0.3
139 5 2 -4 38.022 76.043 0.4 3.54 4 29.9 18.4
140 4 0 -8 38.047 76.095 0.4 3.54 2 32.3 10.7
141 1 1 5 38.25 76.5 0.402 3.5 4 44.8 40.9
142 5 2 -5 38.292 76.583 0.402 3.5 4 12.3 3.1
143 6 0 -6 38.528 77.056 0.404 3.46 2 79.2 63.1
144 0 1 6 38.648 77.296 0.405 3.44 4 8.6 1.5
145 1 2 -6 38.699 77.398 0.406 3.43 4 33.0 21.8
146 3 0 -8 38.753 77.505 0.406 3.43 2 2.5 0.1
147 6 0 -4 38.826 77.652 0.407 3.41 2 14.4 2.1
148 4 1 1 38.856 77.713 0.407 3.41 4 11.0 2.4
149 5 2 -3 38.933 77.867 0.408 3.4 4 0.2 0.0
150 2 1 4 39.119 78.238 0.41 3.37 4 40.0 31.5
151 5 1 -1 39.246 78.491 0.411 3.35 4 5.7 0.6
152 4 2 0 39.281 78.561 0.411 3.35 4 28.9 16.2
153 5 0 -8 39.444 78.889 0.412 3.33 2 78.1 59.0
154 3 2 -7 39.654 79.309 0.414 3.3 4 3.6 0.2
155 4 1 -8 39.726 79.453 0.415 3.29 4 44.2 37.3
156 5 2 -6 39.736 79.472 0.415 3.29 4 2.7 0.1
157 2 3 -5 39.74 79.48 0.415 3.29 4 0.7 0.0
158 6 1 -5 39.765 79.53 0.415 3.28 4 1.2 0.0
159 3 3 -5 39.955 79.911 0.417 3.26 4 10.1 1.9
160 4 2 -7 39.956 79.911 0.417 3.26 4 19.8 7.4
161 6 1 -6 40.201 80.402 0.419 3.23 4 10.7 2.2
162 1 3 3 40.247 80.494 0.419 3.22 4 18.4 6.4
163 0 3 4 40.3 80.6 0.42 3.22 4 1.0 0.0
164 1 1 -7 40.301 80.602 0.42 3.22 4 5.2 0.5
165 3 2 2 40.319 80.638 0.42 3.22 4 6.8 0.9
166 3 3 0 40.324 80.649 0.42 3.21 4 14.7 4.1
167 3 1 -8 40.423 80.846 0.421 3.2 4 2.7 0.1
168 6 1 -4 40.496 80.992 0.422 3.19 4 25.4 12.0
169 4 3 -3 40.889 81.779 0.425 3.15 4 13.3 3.2
170 4 3 -4 40.985 81.97 0.426 3.14 4 7.8 1.1
171 5 2 -2 41.004 82.009 0.426 3.14 4 14.3 3.7
172 5 1 -8 41.108 82.216 0.427 3.13 4 7.3 1.0
173 3 1 3 41.232 82.464 0.428 3.11 4 35.9 23.3
174 2 2 -7 41.43 82.861 0.43 3.09 4 14.0 3.5
175 2 3 2 41.442 82.884 0.43 3.09 4 20.1 7.3
176 2 0 -8 41.531 83.061 0.43 3.08 2 31.5 8.9
177 1 3 -5 41.601 83.201 0.431 3.08 4 20.7 7.6
178 6 1 -7 41.797 83.594 0.433 3.06 4 14.7 3.9
179 4 3 -2 41.953 83.907 0.434 3.04 4 20.1 7.1
180 5 0 0 41.977 83.955 0.434 3.04 2 35.4 11.1
181 4 3 -5 42.239 84.478 0.436 3.02 4 74.8 98.3
182 5 2 -7 42.325 84.649 0.437 3.01 4 2.4 0.1
183 6 1 -3 42.382 84.764 0.438 3.0 4 8.6 1.3
184 0 4 0 42.6 85.199 0.439 2.99 2 116.1 117.1
185 6 0 -8 42.892 85.783 0.442 2.96 2 17.2 2.5
186 4 0 2 42.918 85.836 0.442 2.96 2 27.7 6.6
187 0 4 1 43.176 86.353 0.444 2.94 4 12.9 2.8
188 2 1 -8 43.179 86.357 0.444 2.94 4 0.8 0.0
189 1 4 -1 43.219 86.438 0.445 2.94 4 22.1 8.4
190 1 2 5 43.233 86.467 0.445 2.94 4 7.4 0.9
191 3 3 -6 43.359 86.718 0.446 2.93 4 4.7 0.4
192 0 2 6 43.621 87.242 0.448 2.91 4 1.1 0.0
193 5 1 0 43.623 87.246 0.448 2.91 4 0.5 0.0
194 1 4 0 43.627 87.254 0.448 2.91 4 6.0 0.6
195 6 0 -2 43.766 87.532 0.449 2.9 2 41.0 14.1
196 4 2 1 43.825 87.65 0.449 2.9 4 3.2 0.2
197 3 3 1 43.869 87.737 0.45 2.89 4 60.2 61.1
198 1 4 -2 43.962 87.925 0.451 2.89 4 11.3 2.1
199 1 0 6 43.982 87.963 0.451 2.89 2 28.8 6.9
200 2 2 4 44.082 88.164 0.452 2.88 4 92.7 143.9
201 2 3 -6 44.131 88.262 0.452 2.88 4 14.2 3.4
202 4 3 -1 44.165 88.33 0.452 2.87 4 17.8 5.3
203 5 2 -1 44.206 88.412 0.453 2.87 4 19.8 6.5
204 6 1 -8 44.534 89.068 0.455 2.85 4 7.3 0.9
205 4 1 2 44.561 89.121 0.455 2.85 4 4.5 0.3
206 4 3 -6 44.639 89.278 0.456 2.85 4 12.4 2.5
207 4 2 -8 44.678 89.356 0.456 2.84 4 57.7 55.1
208 6 2 -5 44.716 89.432 0.457 2.84 4 2.1 0.1
209 0 4 2 44.903 89.807 0.458 2.83 4 5.4 0.5
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 7.687 15.375 5.75835 112.7 6.4 6.4 5.6
2 1 0 -2 8.863 17.727 4.99928 71.9 4.1 4.1 5.6
3 0 1 1 11.342 22.683 3.91688 270.8 15.3 15.4 5.6
4 1 1 -1 11.451 22.902 3.88 1750.7 99.0 99.7 5.6
5 0 0 2 11.56 23.12 3.8439 38.8 2.2 2.2 5.6
6 2 0 -2 11.984 23.967 3.70983 40.8 2.3 2.3 5.6
7 1 1 0 12.457 24.914 3.571 17.9 1.0 1.0 5.6
8 1 1 1 15.755 31.509 2.83693 250.7 14.2 14.2 5.6
9 2 1 -1 15.996 31.992 2.79523 1768.7 100.0 100.0 5.6
10 1 1 -3 16.993 33.986 2.63561 1288.8 72.9 72.7 5.7
11 2 1 -3 17.219 34.438 2.60207 64.0 3.6 3.6 5.7
12 1 0 2 17.692 35.385 2.53458 340.1 19.2 19.2 5.7
13 2 0 -4 17.948 35.896 2.49964 217.7 12.3 12.3 5.7
14 3 0 -2 18.269 36.538 2.45719 286.6 16.2 16.1 5.7
15 1 0 -4 19.36 38.721 2.32355 20.7 1.2 1.2 5.7
16 0 2 0 19.782 39.563 2.276 58.4 3.3 3.3 5.7
17 3 0 -4 19.896 39.791 2.26349 95.6 5.4 5.4 5.7
18 0 1 3 20.178 40.357 2.23306 295.4 16.7 16.6 5.7
19 1 1 2 20.355 40.711 2.21445 362.3 20.5 20.3 5.7
20 2 1 -4 20.583 41.166 2.19103 295.8 16.7 16.6 5.7
21 1 2 -1 20.732 41.464 2.17593 75.5 4.3 4.2 5.7
22 3 1 -2 20.869 41.738 2.16227 509.8 28.8 28.6 5.7
23 1 1 -4 21.851 43.703 2.06953 55.4 3.1 3.1 5.7
24 2 1 1 22.347 44.693 2.02594 236.1 13.3 13.2 5.7
25 3 1 -1 22.646 45.292 2.00054 25.2 1.4 1.4 5.7
26 2 2 -2 23.394 46.788 1.94 41.3 2.3 2.3 5.7
27 0 0 4 23.627 47.254 1.92195 35.4 2.0 2.0 5.7
28 3 0 0 23.66 47.319 1.91945 19.8 1.1 1.1 5.7
29 2 0 2 25.13 50.261 1.8138 19.2 1.1 1.1 5.8
30 4 0 -2 25.785 51.569 1.7708 66.6 3.8 3.7 5.8
31 1 2 2 27.056 54.112 1.69344 840.6 47.5 46.4 5.8
32 2 2 -4 27.239 54.479 1.6829 676.5 38.3 37.3 5.8
33 1 1 -5 27.396 54.792 1.67401 51.1 2.9 2.8 5.8
34 3 2 -2 27.472 54.944 1.66976 572.3 32.4 31.6 5.8
35 3 0 -6 27.531 55.063 1.66643 32.7 1.8 1.8 5.8
36 4 1 -5 28.166 56.332 1.63185 462.0 26.1 25.4 5.8
37 2 0 -6 28.462 56.924 1.61629 68.2 3.9 3.8 5.8
38 3 2 -4 28.682 57.364 1.60493 130.6 7.4 7.2 5.8
39 4 0 -6 29.064 58.128 1.58564 23.8 1.3 1.3 5.8
40 3 1 1 30.078 60.156 1.53693 262.5 14.8 14.4 5.8
41 2 1 -6 30.379 60.759 1.52312 18.0 1.0 1.0 5.8
42 4 1 -1 30.419 60.837 1.52135 28.2 1.6 1.5 5.8
43 5 0 -4 30.974 61.949 1.4967 20.9 1.2 1.1 5.8
44 1 3 -1 31.209 62.418 1.48657 50.2 2.8 2.7 5.8
45 1 3 0 31.667 63.334 1.46725 73.3 4.1 4.0 5.9
46 1 0 -6 31.716 63.432 1.46522 282.1 15.9 15.4 5.9
47 0 1 5 31.923 63.847 1.4567 211.7 12.0 11.5 5.9
48 4 0 0 32.349 64.697 1.43959 277.9 15.7 15.1 5.9
49 4 2 -4 32.392 64.784 1.43787 19.4 1.1 1.1 5.9
50 2 1 3 32.803 65.605 1.42184 51.4 2.9 2.8 5.9
51 5 0 -6 32.841 65.682 1.42037 156.5 8.8 8.5 5.9
52 0 3 2 33.078 66.155 1.41135 37.9 2.1 2.1 5.9
53 1 3 1 33.386 66.771 1.39981 25.9 1.5 1.4 5.9
54 4 2 -2 33.445 66.89 1.39761 56.3 3.2 3.1 5.9
55 2 3 -1 33.524 67.048 1.39472 147.8 8.4 8.0 5.9
56 5 1 -3 33.771 67.543 1.38569 223.8 12.7 12.1 5.9
57 1 3 -3 34.111 68.222 1.37355 191.9 10.8 10.4 5.9
58 2 3 -3 34.248 68.495 1.36873 18.1 1.0 1.0 5.9
59 3 1 -7 34.532 69.064 1.35884 228.6 12.9 12.3 5.9
60 3 2 -6 34.952 69.904 1.34456 22.0 1.2 1.2 5.9
61 2 2 -6 35.769 71.538 1.31781 21.7 1.2 1.2 5.9
62 0 3 3 36.155 72.31 1.30563 60.7 3.4 3.3 5.9
63 1 3 2 36.276 72.551 1.30188 43.9 2.5 2.4 6.0
64 2 3 -4 36.432 72.863 1.29707 61.8 3.5 3.3 6.0
65 3 3 -2 36.63 73.26 1.29102 18.7 1.1 1.0 6.0
66 2 0 4 37.432 74.863 1.26729 53.4 3.0 2.9 6.0
67 2 3 1 37.681 75.361 1.26016 43.5 2.5 2.3 6.0
68 5 2 -4 38.022 76.043 1.25054 29.1 1.6 1.6 6.0
69 1 1 5 38.25 76.5 1.2442 40.9 2.3 2.2 6.0
70 6 0 -6 38.528 77.056 1.23661 63.1 3.6 3.4 6.0
71 1 2 -6 38.699 77.398 1.232 21.8 1.2 1.2 6.0
72 2 1 4 39.119 78.238 1.22086 31.5 1.8 1.7 6.0
73 5 0 -8 39.444 78.889 1.21241 59.0 3.3 3.1 6.0
74 4 1 -8 39.726 79.453 1.20522 37.4 2.1 2.0 6.0
75 3 1 3 41.232 82.464 1.16867 23.3 1.3 1.2 6.1
76 5 0 0 41.977 83.955 1.15167 18.2 1.0 1.0 6.1
77 4 3 -5 42.239 84.478 1.14586 98.3 5.6 5.1 6.1
78 0 4 0 42.6 85.199 1.138 117.1 6.6 6.1 6.1
79 3 3 1 43.869 87.737 1.1115 61.1 3.5 3.2 6.2
80 2 2 4 44.082 88.164 1.10722 143.9 8.1 7.4 6.2
81 4 2 -8 44.678 89.356 1.09552 55.1 3.1 2.8 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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