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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MOTTRAMITE
4, td-descloizite, f-descloizite, g-descloizite
Cu(Pb,Bi,Ca)VO(4)(OH)
Orthorhombic P nam Z = 4
Pnam
18 .2 .15
Ref.Str.:
Krause W., Kolitsch U., Bernhardt H.J., Effenberger H. (2003)
* Neues Jb. Mineral., Mh.,75-96
L: $Pb0.43 Bi0.36 Ca0.19 Cu1 V1 O4.93 H0.93$
R: Locality - Shaba, Congo.
In original – duhamelite. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.486 alpha = 90.0
b = 9.62 beta = 90.0
c = 5.881 gamma = 90.0
Unit cell volume (cub. angs.) = 423.52
Molar volume ( cub.cm/mol.) = 63.78
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1212 0.1856 0.25 0.0 Pb = 0.43, Bi = 0.36, Ca = 0.19
2 0.0 0.5 0.0 0.0 Cu = 1.00
3 0.858 0.1713 0.75 0.0 V = 1.00
4 0.866 0.27 0.506 0.0 O = 1.00
5 0.039 0.07 0.75 0.0 O = 1.00
6 0.667 0.052 0.75 0.0 O = 1.00
7 0.652 0.073 0.25 0.0 OH = 0.93, OH = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1212 0.1856 0.25
2 2 0.0 0.5 0.0
3 3 0.858 0.1713 0.75
4 4 0.866 0.27 0.506
5 5 0.039 0.07 0.75
6 6 0.667 0.052 0.75
7 7 0.652 0.073 0.25
8 1 0.8788 0.8144 0.75
9 3 0.142 0.8287 0.25
10 4 0.134 0.73 0.494
11 5 0.961 0.93 0.25
12 6 0.333 0.948 0.25
13 7 0.348 0.927 0.75
14 1 0.6212 0.3144 0.25
15 2 0.5 0.0 0.0
16 3 0.358 0.3287 0.75
17 4 0.366 0.23 0.506
18 5 0.539 0.43 0.75
19 6 0.167 0.448 0.75
20 7 0.152 0.427 0.25
21 1 0.3788 0.6856 0.75
22 3 0.642 0.6713 0.25
23 4 0.634 0.77 0.494
24 5 0.461 0.57 0.25
25 6 0.833 0.552 0.25
26 7 0.848 0.573 0.75
27 2 0.0 0.5 0.5
28 4 0.134 0.73 0.006
29 4 0.866 0.27 0.994
30 2 0.5 0.0 0.5
31 4 0.634 0.77 0.006
32 4 0.366 0.23 0.994
X-ray density (g/cm cub.) = 5.74
MU (1/cm) = 879.672 Mass attenuation coefficient (cm**2/g) = 153.2
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb ,Bi ,Ca 3.192 7
2.5643 4
2.7357 5
2.7818 6
2.4099 4
2.3337 7
2.5643 4
2.4099 4
2 Cu 2.856 6
1.9937 6
1.9873 7
1.9937 6
1.9873 7
2.4296 4
2.4296 4
3 V 2.544 4
1.7217 4
1.669 5
1.8335 6
1.7217 4
4 O 3.312 10
2.7273 5
2.9456 6
2.9025 7
3.2281 5
3.1731 6
3.0219 7
3.1124 6
3.2517 7
2.8699 4
3.0111 4
5 O 3.312 8
2.7273 4
2.7902 6
3.2865 5
3.2865 5
2.6913 7
3.2281 4
2.7273 4
3.2281 4
6 O 3.312 10
2.9456 4
2.7902 5
2.9496 7
2.9496 7
2.6737 7
3.1731 4
3.1124 4
2.9456 4
3.1124 4
3.1731 4
7 OH ,OH 3.36 10
2.9025 4
2.9496 6
2.9496 6
2.6913 5
2.6737 6
3.0219 4
3.2517 4
2.9025 4
3.2517 4
3.0219 4
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 7.492 14.983 0.085 114.7 4 19.0 92.7
2 0 1 1 8.831 17.661 0.1 81.93 4 152.1 4227.0
3 0 2 0 9.215 18.43 0.104 75.06 2 102.6 880.5
4 1 1 1 10.65 21.3 0.12 55.65 8 87.8 1914.3
5 1 2 0 10.973 21.946 0.124 52.3 4 59.2 408.3
6 2 0 0 11.876 23.752 0.134 44.34 2 92.2 420.5
7 2 1 0 12.757 25.514 0.143 38.15 4 127.4 1381.0
8 1 2 1 13.359 26.719 0.15 34.61 8 64.0 632.6
9 2 0 1 14.119 28.238 0.158 30.78 4 282.5 5478.4
10 2 1 1 14.877 29.754 0.167 27.53 8 13.5 22.3
11 2 2 0 15.115 30.23 0.169 26.61 4 101.0 605.7
12 1 3 0 15.149 30.297 0.17 26.48 4 280.7 4654.1
13 0 0 2 15.186 30.372 0.17 26.34 2 217.0 1383.1
14 0 3 1 15.879 31.757 0.178 23.93 4 92.1 452.7
15 2 2 1 16.966 33.932 0.189 20.73 8 197.8 3618.4
16 1 3 1 16.996 33.992 0.19 20.65 8 184.3 3127.7
17 1 1 2 17.014 34.028 0.19 20.6 8 177.8 2905.9
18 0 2 2 17.88 35.76 0.199 18.49 4 188.3 1461.6
19 2 3 0 18.44 36.88 0.205 17.28 4 16.9 11.0
20 3 1 0 18.597 37.193 0.207 16.96 4 116.2 510.2
21 0 4 0 18.68 37.36 0.208 16.79 2 92.8 161.2
22 1 2 2 18.894 37.787 0.21 16.38 8 37.6 103.0
23 2 0 2 19.458 38.917 0.216 15.34 4 88.4 267.5
24 1 4 0 19.658 39.316 0.218 15.0 4 145.9 712.1
25 2 3 1 20.02 40.041 0.222 14.4 8 20.5 27.0
26 2 1 2 20.036 40.072 0.222 14.38 8 200.7 2582.6
27 3 1 1 20.167 40.333 0.224 14.17 8 57.7 210.6
28 3 2 0 20.35 40.7 0.226 13.89 4 104.6 338.7
29 1 4 1 21.162 42.324 0.234 12.73 8 135.8 1047.1
30 2 2 2 21.692 43.384 0.24 12.04 8 94.3 477.4
31 1 3 2 21.716 43.433 0.24 12.01 8 100.1 536.5
32 3 2 1 21.815 43.629 0.241 11.89 8 62.4 206.1
33 2 4 0 22.377 44.754 0.247 11.22 4 85.3 182.3
34 3 3 0 23.025 46.051 0.254 10.52 4 94.2 208.3
35 0 1 3 23.641 47.282 0.26 9.91 4 130.8 378.4
36 2 4 1 23.741 47.482 0.261 9.82 8 37.7 62.4
37 2 3 2 24.249 48.497 0.267 9.36 8 60.9 155.0
38 4 0 0 24.304 48.609 0.267 9.31 2 211.5 464.1
39 3 3 1 24.361 48.722 0.268 9.26 8 170.2 1196.3
40 3 1 2 24.374 48.749 0.268 9.25 8 51.9 111.2
41 1 5 0 24.416 48.833 0.268 9.21 4 47.1 45.5
42 0 4 2 24.442 48.883 0.269 9.19 4 154.3 487.9
43 1 1 3 24.456 48.913 0.269 9.18 8 74.1 225.0
44 4 1 0 24.79 49.581 0.272 8.9 4 43.0 36.7
45 0 5 1 24.913 49.825 0.273 8.8 4 62.3 76.2
46 1 4 2 25.237 50.475 0.277 8.54 8 105.5 423.9
47 4 0 1 25.59 51.179 0.28 8.28 4 14.8 4.0
48 1 5 1 25.697 51.395 0.281 8.2 8 158.2 915.4
49 3 2 2 25.809 51.619 0.283 8.12 8 86.0 267.5
50 1 2 3 25.888 51.776 0.283 8.06 8 56.4 114.6
51 4 1 1 26.058 52.116 0.285 7.94 8 138.2 676.6
52 4 2 0 26.209 52.417 0.287 7.84 4 270.7 1280.7
53 2 0 3 26.331 52.663 0.288 7.76 4 236.3 965.9
54 3 4 0 26.412 52.824 0.289 7.7 4 125.2 269.2
55 2 5 0 26.753 53.506 0.292 7.48 4 36.3 22.0
56 2 1 3 26.791 53.581 0.293 7.46 8 12.4 5.2
57 0 3 3 27.422 54.844 0.299 7.07 4 80.0 101.0
58 4 2 1 27.429 54.859 0.299 7.07 8 2.9 0.3
59 2 4 2 27.524 55.048 0.3 7.01 8 79.8 199.4
60 3 4 1 27.627 55.253 0.301 6.95 8 66.0 135.2
61 2 5 1 27.957 55.915 0.304 6.77 8 20.2 12.3
62 3 3 2 28.083 56.167 0.306 6.7 8 272.3 2216.3
63 2 2 3 28.137 56.274 0.306 6.67 8 163.3 793.5
64 1 3 3 28.157 56.315 0.306 6.66 8 160.9 769.1
65 4 3 0 28.461 56.921 0.309 6.5 4 22.8 7.6
66 0 6 0 28.713 57.426 0.312 6.37 2 220.4 345.2
67 4 0 2 29.201 58.402 0.317 6.13 4 296.1 1199.2
68 1 5 2 29.3 58.599 0.318 6.09 8 233.2 1476.8
69 1 6 0 29.427 58.855 0.319 6.03 4 77.4 80.6
70 4 3 1 29.619 59.237 0.321 5.94 8 46.1 56.4
71 4 1 2 29.63 59.261 0.321 5.94 8 25.9 17.8
72 2 3 3 30.293 60.587 0.327 5.65 8 14.9 5.6
73 3 5 0 30.367 60.734 0.328 5.62 4 220.0 606.5
74 3 1 3 30.402 60.803 0.328 5.6 8 53.3 71.0
75 1 6 1 30.563 61.125 0.33 5.54 8 78.4 151.7
76 4 2 2 30.896 61.793 0.333 5.41 8 35.8 31.0
77 3 4 2 31.079 62.159 0.335 5.34 8 101.5 245.0
78 1 4 3 31.149 62.298 0.336 5.31 8 115.0 313.3
79 5 1 0 31.377 62.755 0.338 5.23 4 143.5 240.1
80 2 5 2 31.387 62.775 0.338 5.22 8 12.0 3.4
81 4 4 0 31.434 62.868 0.339 5.21 4 81.2 76.6
82 3 5 1 31.482 62.964 0.339 5.19 8 145.2 488.1
83 2 6 0 31.51 63.02 0.339 5.18 4 73.5 62.3
84 0 0 4 31.595 63.19 0.34 5.15 2 383.4 843.7
85 3 2 3 31.649 63.299 0.341 5.13 8 53.3 64.9
86 5 1 1 32.473 64.945 0.349 4.85 8 78.6 133.5
87 4 4 1 32.528 65.057 0.349 4.83 8 14.9 4.8
88 2 6 1 32.602 65.205 0.35 4.81 8 181.7 708.0
89 5 2 0 32.604 65.208 0.35 4.81 4 16.8 3.0
90 1 1 4 32.676 65.352 0.35 4.78 8 16.0 5.5
91 4 3 2 32.943 65.886 0.353 4.7 8 8.8 1.6
92 2 4 3 33.169 66.338 0.355 4.63 8 35.7 26.4
93 0 6 2 33.175 66.35 0.355 4.63 4 96.2 95.5
94 0 2 4 33.219 66.438 0.356 4.62 4 70.7 51.5
95 3 3 3 33.671 67.342 0.36 4.49 8 150.6 454.2
96 5 2 1 33.678 67.355 0.36 4.49 8 89.9 161.8
97 1 6 2 33.834 67.668 0.361 4.44 8 45.4 40.8
98 1 2 4 33.877 67.755 0.362 4.43 8 47.5 44.7
99 0 5 3 34.122 68.245 0.364 4.37 4 50.3 24.7
100 2 0 4 34.255 68.51 0.365 4.33 4 72.7 51.0
101 5 3 0 34.597 69.193 0.369 4.24 4 56.3 30.0
102 2 1 4 34.649 69.298 0.369 4.23 8 103.1 200.4
103 4 0 3 34.683 69.366 0.369 4.22 4 10.3 1.0
104 3 5 2 34.707 69.414 0.37 4.22 8 80.4 121.7
105 1 7 0 34.741 69.481 0.37 4.21 4 92.7 80.6
106 1 5 3 34.773 69.545 0.37 4.2 8 140.6 370.3
107 3 6 0 34.823 69.647 0.371 4.19 4 95.7 85.5
108 4 5 0 35.042 70.085 0.373 4.13 4 26.6 6.5
109 4 1 3 35.074 70.149 0.373 4.13 8 127.5 299.3
110 0 7 1 35.141 70.283 0.374 4.11 4 107.6 106.1
111 5 3 1 35.641 71.282 0.378 4.0 8 138.8 343.3
112 5 1 2 35.652 71.303 0.378 3.99 8 12.0 2.6
113 4 4 2 35.705 71.41 0.379 3.98 8 28.3 14.2
114 2 6 2 35.776 71.552 0.379 3.97 8 85.1 128.3
115 1 7 1 35.783 71.566 0.38 3.97 8 18.1 5.8
116 2 2 4 35.818 71.637 0.38 3.96 8 77.7 106.6
117 1 3 4 35.836 71.672 0.38 3.95 8 217.2 831.7
118 3 6 1 35.865 71.73 0.38 3.95 8 78.7 109.2
119 4 5 1 36.081 72.162 0.382 3.9 8 34.5 20.7
120 4 2 3 36.238 72.476 0.384 3.87 8 3.5 0.2
121 3 4 3 36.407 72.814 0.385 3.84 8 60.5 62.7
122 2 7 0 36.661 73.322 0.388 3.78 4 141.5 168.9
123 2 5 3 36.692 73.385 0.388 3.78 8 17.3 5.0
124 5 2 2 36.808 73.615 0.389 3.76 8 6.9 0.8
125 5 4 0 37.303 74.606 0.393 3.66 4 105.8 91.5
126 2 7 1 37.682 75.364 0.397 3.6 8 21.2 7.2
127 2 3 4 37.734 75.467 0.397 3.59 8 6.9 0.8
128 3 1 4 37.831 75.662 0.398 3.57 8 104.0 172.2
129 0 4 4 37.883 75.767 0.399 3.56 4 66.0 34.7
130 6 0 0 38.125 76.25 0.401 3.52 2 108.1 45.9
131 4 3 3 38.145 76.29 0.401 3.52 8 46.6 34.1
132 5 4 1 38.318 76.635 0.402 3.49 8 121.7 230.7
133 6 1 0 38.502 77.005 0.404 3.46 4 93.5 67.5
134 1 4 4 38.507 77.015 0.404 3.46 8 106.3 174.5
135 5 3 2 38.705 77.41 0.406 3.43 8 207.7 660.7
136 1 7 2 38.843 77.686 0.407 3.41 8 31.4 15.0
137 3 6 2 38.922 77.844 0.408 3.4 8 71.6 77.8
138 3 2 4 38.963 77.926 0.408 3.39 8 80.5 98.2
139 1 6 3 38.985 77.97 0.408 3.39 8 69.6 73.2
140 4 5 2 39.132 78.265 0.41 3.37 8 33.6 16.9
141 6 0 1 39.133 78.265 0.41 3.37 4 218.6 359.0
142 4 6 0 39.244 78.487 0.411 3.35 4 71.6 38.4
143 6 1 1 39.507 79.015 0.413 3.32 8 45.9 31.2
144 6 2 0 39.629 79.257 0.414 3.3 4 81.0 48.4
145 3 7 0 39.783 79.565 0.415 3.28 4 93.1 63.5
146 3 5 3 39.813 79.626 0.416 3.28 8 131.4 252.4
147 0 8 0 39.834 79.668 0.416 3.28 2 140.4 72.0
148 4 6 1 40.243 80.487 0.419 3.22 8 4.5 0.3
149 2 4 4 40.363 80.725 0.42 3.21 8 69.5 69.2
150 1 8 0 40.449 80.899 0.421 3.2 4 30.8 6.8
151 6 2 1 40.626 81.252 0.423 3.18 8 120.4 205.7
152 5 5 0 40.685 81.37 0.423 3.17 4 187.1 247.8
153 2 7 2 40.694 81.388 0.423 3.17 8 105.6 157.7
154 5 1 3 40.715 81.431 0.423 3.17 8 69.8 68.8
155 4 4 3 40.766 81.533 0.424 3.16 8 13.2 2.5
156 3 7 1 40.779 81.558 0.424 3.16 8 20.0 5.6
157 3 3 4 40.83 81.66 0.424 3.16 8 72.1 73.3
158 2 6 3 40.834 81.669 0.424 3.16 8 166.1 388.4
159 0 1 5 41.282 82.564 0.428 3.11 4 101.2 71.0
160 5 4 2 41.317 82.633 0.429 3.1 8 80.6 90.0
161 1 8 1 41.442 82.885 0.43 3.09 8 0.4 0.0
162 6 3 0 41.488 82.976 0.43 3.09 4 38.3 10.1
163 5 5 1 41.677 83.353 0.432 3.07 8 115.2 181.6
164 4 0 4 41.778 83.556 0.432 3.06 4 158.9 172.2
165 5 2 3 41.827 83.654 0.433 3.05 8 81.7 91.0
166 1 5 4 41.863 83.725 0.433 3.05 8 41.1 22.9
167 1 1 5 41.893 83.786 0.433 3.05 8 58.4 46.3
168 6 0 2 42.117 84.235 0.435 3.03 4 52.3 18.5
169 4 1 4 42.147 84.295 0.436 3.02 8 32.7 14.5
170 2 8 0 42.284 84.569 0.437 3.01 4 65.2 28.6
171 6 3 1 42.476 84.953 0.438 3.0 8 8.8 1.0
172 6 1 2 42.486 84.973 0.438 3.0 8 132.4 234.1
173 1 2 5 42.999 85.999 0.443 2.95 8 51.4 34.9
174 0 7 3 43.197 86.394 0.444 2.94 4 98.5 63.5
175 4 6 2 43.213 86.426 0.444 2.94 8 236.9 735.7
176 4 2 4 43.253 86.506 0.445 2.94 8 213.2 595.0
177 2 8 1 43.27 86.541 0.445 2.93 8 180.6 426.7
178 2 0 5 43.351 86.701 0.446 2.93 4 198.4 257.0
179 3 4 4 43.415 86.83 0.446 2.92 8 102.7 137.6
180 6 2 2 43.591 87.182 0.448 2.91 8 45.1 26.4
181 5 3 3 43.67 87.339 0.448 2.91 8 127.2 209.6
182 2 5 4 43.688 87.377 0.448 2.9 8 32.5 13.7
183 2 1 5 43.718 87.437 0.449 2.9 8 11.5 1.7
184 3 7 2 43.743 87.485 0.449 2.9 8 76.0 74.7
185 0 8 2 43.793 87.587 0.449 2.9 4 292.6 553.2
186 1 7 3 43.804 87.609 0.449 2.9 8 19.3 4.8
187 3 6 3 43.882 87.764 0.45 2.89 8 69.3 62.0
188 4 7 0 44.058 88.115 0.451 2.88 4 21.8 3.1
189 6 4 0 44.068 88.136 0.451 2.88 4 65.2 27.3
190 4 5 3 44.088 88.176 0.452 2.88 8 30.5 12.0
191 0 3 5 44.231 88.462 0.453 2.87 4 56.6 20.5
192 1 8 2 44.4 88.8 0.454 2.86 8 1.8 0.0
193 5 5 2 44.633 89.266 0.456 2.85 8 56.8 41.0
194 5 6 0 44.742 89.484 0.457 2.84 4 51.5 16.8
195 2 2 5 44.821 89.642 0.458 2.84 8 138.1 241.5
196 1 3 5 44.838 89.676 0.458 2.84 8 129.0 210.4
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 1 0 7.492 14.983 5.90797 92.7 1.5 1.6 5.6
2 0 1 1 8.831 17.661 5.01766 4227.0 70.1 70.9 5.6
3 0 2 0 9.215 18.43 4.81 880.5 14.6 14.8 5.6
4 1 1 1 10.65 21.3 4.168 1914.3 31.7 32.0 5.6
5 1 2 0 10.973 21.946 4.04667 408.3 6.8 6.8 5.6
6 2 0 0 11.876 23.752 3.743 420.5 7.0 7.0 5.6
7 2 1 0 12.757 25.514 3.48826 1381.0 22.9 23.0 5.6
8 1 2 1 13.359 26.719 3.3337 632.6 10.5 10.5 5.6
9 2 0 1 14.119 28.238 3.15769 5478.4 90.8 91.2 5.6
10 2 2 0 15.115 30.23 2.95398 605.7 10.0 10.1 5.6
11 1 3 0 15.149 30.297 2.94762 4654.1 77.1 77.4 5.6
12 0 0 2 15.186 30.372 2.9405 1383.1 22.9 23.0 5.6
13 0 3 1 15.879 31.757 2.81535 452.7 7.5 7.5 5.6
14 2 2 1 16.966 33.932 2.6397 3618.4 60.0 60.0 5.7
15 1 3 1 16.996 33.992 2.63516 6033.6 100.0 100.0 5.7
16 0 2 2 17.88 35.76 2.50883 1461.6 24.2 24.2 5.7
17 3 1 0 18.597 37.193 2.4154 510.2 8.5 8.4 5.7
18 0 4 0 18.68 37.36 2.405 161.2 2.7 2.7 5.7
19 1 2 2 18.894 37.787 2.3788 103.0 1.7 1.7 5.7
20 2 0 2 19.458 38.917 2.3123 267.5 4.4 4.4 5.7
21 1 4 0 19.658 39.316 2.28974 712.1 11.8 11.7 5.7
22 2 1 2 20.036 40.072 2.24826 2609.6 43.3 43.0 5.7
23 3 1 1 20.167 40.333 2.23429 210.6 3.5 3.5 5.7
24 3 2 0 20.35 40.7 2.21501 338.7 5.6 5.6 5.7
25 1 4 1 21.162 42.324 2.13372 1047.1 17.4 17.2 5.7
26 1 3 2 21.716 43.433 2.08176 1013.9 16.8 16.6 5.7
27 3 2 1 21.815 43.629 2.07286 206.1 3.4 3.4 5.7
28 2 4 0 22.377 44.754 2.02333 182.3 3.0 3.0 5.7
29 3 3 0 23.025 46.051 1.96932 208.3 3.5 3.4 5.7
30 0 1 3 23.641 47.282 1.92086 378.4 6.3 6.2 5.7
31 2 4 1 23.741 47.482 1.91326 62.4 1.0 1.0 5.7
32 2 3 2 24.249 48.497 1.87554 155.0 2.6 2.5 5.7
33 4 0 0 24.304 48.609 1.8715 464.1 7.7 7.6 5.7
34 3 3 1 24.361 48.722 1.8674 1307.5 21.7 21.3 5.7
35 0 4 2 24.442 48.883 1.86164 758.3 12.6 12.4 5.7
36 0 5 1 24.913 49.825 1.82863 76.2 1.3 1.2 5.7
37 1 4 2 25.237 50.475 1.80661 423.9 7.0 6.9 5.8
38 1 5 1 25.697 51.395 1.7764 915.4 15.2 14.9 5.8
39 3 2 2 25.809 51.619 1.76922 267.5 4.4 4.4 5.8
40 1 2 3 25.888 51.776 1.76422 114.6 1.9 1.9 5.8
41 4 1 1 26.058 52.116 1.7535 676.6 11.2 11.0 5.8
42 4 2 0 26.209 52.417 1.74413 1280.7 21.2 20.8 5.8
43 2 0 3 26.331 52.663 1.73658 965.9 16.0 15.7 5.8
44 3 4 0 26.412 52.824 1.73165 269.2 4.5 4.4 5.8
45 0 3 3 27.422 54.844 1.67255 101.3 1.7 1.6 5.8
46 2 4 2 27.524 55.048 1.66685 199.4 3.3 3.2 5.8
47 3 4 1 27.627 55.253 1.66113 135.2 2.2 2.2 5.8
48 3 3 2 28.083 56.167 1.63626 2216.3 36.7 35.8 5.8
49 2 2 3 28.137 56.274 1.63339 1562.6 25.9 25.3 5.8
50 0 6 0 28.713 57.426 1.60333 345.2 5.7 5.6 5.8
51 4 0 2 29.201 58.402 1.57885 1199.2 19.9 19.3 5.8
52 1 5 2 29.3 58.599 1.574 1476.8 24.5 23.8 5.8
53 1 6 0 29.427 58.855 1.56778 80.6 1.3 1.3 5.8
54 4 3 1 29.619 59.237 1.55856 74.2 1.2 1.2 5.8
55 3 5 0 30.367 60.734 1.52368 606.5 10.1 9.7 5.8
56 3 1 3 30.402 60.803 1.52211 71.0 1.2 1.1 5.8
57 1 6 1 30.563 61.125 1.51487 151.7 2.5 2.4 5.8
58 3 4 2 31.079 62.159 1.49213 245.0 4.1 3.9 5.8
59 1 4 3 31.149 62.298 1.48913 313.3 5.2 5.0 5.8
60 5 1 0 31.377 62.755 1.47939 243.5 4.0 3.9 5.9
61 4 4 0 31.434 62.868 1.47699 76.6 1.3 1.2 5.9
62 3 5 1 31.482 62.964 1.47498 550.4 9.1 8.8 5.9
63 0 0 4 31.595 63.19 1.47025 843.7 14.0 13.5 5.9
64 3 2 3 31.649 63.299 1.46799 64.9 1.1 1.0 5.9
65 5 1 1 32.473 64.945 1.43469 133.5 2.2 2.1 5.9
66 2 6 1 32.602 65.205 1.4296 711.1 11.8 11.3 5.9
67 0 6 2 33.175 66.35 1.40768 121.9 2.0 1.9 5.9
68 3 3 3 33.671 67.342 1.38933 616.0 10.2 9.8 5.9
69 2 1 4 34.649 69.298 1.35482 200.4 3.3 3.2 5.9
70 3 5 2 34.707 69.414 1.35284 122.7 2.0 1.9 5.9
71 1 7 0 34.741 69.481 1.3517 80.6 1.3 1.3 5.9
72 1 5 3 34.773 69.545 1.35061 370.3 6.1 5.9 5.9
73 3 6 0 34.823 69.647 1.34889 85.5 1.4 1.4 5.9
74 4 1 3 35.074 70.149 1.34046 299.3 5.0 4.7 5.9
75 0 7 1 35.141 70.283 1.33823 106.1 1.8 1.7 5.9
76 5 3 1 35.641 71.282 1.3219 345.9 5.7 5.5 5.9
77 2 6 2 35.776 71.552 1.31758 134.1 2.2 2.1 5.9
78 1 3 4 35.836 71.672 1.31567 1047.5 17.4 16.5 5.9
79 3 4 3 36.407 72.814 1.29782 62.7 1.0 1.0 6.0
80 2 7 0 36.661 73.322 1.29008 168.9 2.8 2.7 6.0
81 5 4 0 37.303 74.606 1.27103 91.5 1.5 1.4 6.0
82 3 1 4 37.831 75.662 1.25588 172.2 2.9 2.7 6.0
83 6 0 0 38.125 76.25 1.24767 80.0 1.3 1.3 6.0
84 5 4 1 38.318 76.635 1.24234 230.7 3.8 3.6 6.0
85 1 4 4 38.507 77.015 1.23717 242.1 4.0 3.8 6.0
86 5 3 2 38.705 77.41 1.23184 660.7 10.9 10.3 6.0
87 3 6 2 38.922 77.844 1.22604 77.8 1.3 1.2 6.0
88 3 2 4 38.963 77.926 1.22496 171.4 2.8 2.7 6.0
89 6 0 1 39.133 78.265 1.2205 376.0 6.2 5.9 6.0
90 3 7 0 39.783 79.565 1.20379 63.5 1.1 1.0 6.0
91 3 5 3 39.813 79.626 1.20302 324.4 5.4 5.0 6.0
92 2 4 4 40.363 80.725 1.1894 69.2 1.1 1.1 6.1
93 6 2 1 40.626 81.252 1.18301 205.7 3.4 3.2 6.1
94 5 5 0 40.685 81.37 1.18159 405.5 6.7 6.3 6.1
95 5 1 3 40.715 81.431 1.18086 68.8 1.1 1.1 6.1
96 2 6 3 40.834 81.669 1.17802 461.6 7.7 7.1 6.1
97 0 1 5 41.282 82.564 1.16751 71.0 1.2 1.1 6.1
98 5 4 2 41.317 82.633 1.1667 90.0 1.5 1.4 6.1
99 5 5 1 41.677 83.353 1.15844 181.6 3.0 2.8 6.1
100 4 0 4 41.778 83.556 1.15615 172.2 2.9 2.6 6.1
101 5 2 3 41.827 83.654 1.15505 91.0 1.5 1.4 6.1
102 1 1 5 41.893 83.786 1.15356 69.3 1.1 1.1 6.1
103 6 1 2 42.486 84.973 1.14045 235.1 3.9 3.6 6.1
104 4 6 2 43.213 86.426 1.12497 799.2 13.2 12.2 6.1
105 4 2 4 43.253 86.506 1.12413 1021.7 16.9 15.6 6.1
106 2 0 5 43.351 86.701 1.1221 257.0 4.3 3.9 6.1
107 3 4 4 43.415 86.83 1.12077 137.6 2.3 2.1 6.1
108 5 3 3 43.67 87.339 1.11554 223.3 3.7 3.4 6.2
109 3 7 2 43.743 87.485 1.11405 76.4 1.3 1.2 6.2
110 0 8 2 43.793 87.587 1.11303 558.0 9.2 8.5 6.2
111 3 6 3 43.882 87.764 1.11123 62.0 1.0 0.9 6.2
112 2 2 5 44.821 89.642 1.09276 451.9 7.5 6.8 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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