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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MIHARAITE
1
Cu(4)FePbBiS(6)
Orthorhombic P b2(1)m Z = 2
R =0.066 NR =942
18 .1 .1994
Ref.Str.:
Petrova I.V., Pobedimskaia E.A., Bryzgalov I.A. (1988)
* Dokl. Akad. Nauk SSSR, 299, 1, 123-128
Reserv:
T.V.Ush.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.88 alpha = 90.0
b = 12.003 beta = 90.0
c = 3.874 gamma = 90.0
Unit cell volume (cub. angs.) = 505.92
Molar volume ( cub.cm/mol.) = 152.37
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1461 0.0 0.0 1.64 Bi = 1.00
2 0.3106 0.28 0.5 1.44 Pb = 1.00
3 0.2889 0.6825 0.0 1.0 Fe = 1.00
4 0.0203 0.2706 0.5 1.2 Cu = 1.00
5 0.4852 0.0697 0.0 1.4 Cu = 1.00
6 0.3821 0.8403 0.5 2.0 Cu = 1.00
7 0.2126 0.5429 0.5 2.0 Cu = 1.00
8 0.193 0.747 0.5 1.0 S = 1.00
9 0.02 0.461 0.5 0.9 S = 1.00
10 0.481 0.763 0.0 1.2 S = 1.00
11 0.319 0.487 0.0 1.1 S = 1.00
12 0.114 0.203 0.0 1.1 S = 1.00
13 0.367 0.03 0.5 1.2 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1461 0.0 0.0
2 2 0.3106 0.28 0.5
3 3 0.2889 0.6825 0.0
4 4 0.0203 0.2706 0.5
5 5 0.4852 0.0697 0.0
6 6 0.3821 0.8403 0.5
7 7 0.2126 0.5429 0.5
8 8 0.193 0.747 0.5
9 9 0.02 0.461 0.5
10 10 0.481 0.763 0.0
11 11 0.319 0.487 0.0
12 12 0.114 0.203 0.0
13 13 0.367 0.03 0.5
14 1 0.8539 0.5 0.0
15 2 0.6894 0.78 0.5
16 3 0.7111 0.1825 0.0
17 4 0.9797 0.7706 0.5
18 5 0.5148 0.5697 0.0
19 6 0.6179 0.3403 0.5
20 7 0.7874 0.0429 0.5
21 8 0.807 0.247 0.5
22 9 0.98 0.961 0.5
23 10 0.519 0.263 0.0
24 11 0.681 0.987 0.0
25 12 0.886 0.703 0.0
26 13 0.633 0.53 0.5
X-ray density (g/cm cub.) = 6.03
MU (1/cm) = 1255.792 Mass attenuation coefficient (cm**2/g) = 208.327
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Bi 3.624 5
2.4615 12
3.1077 13
3.1077 13
2.6902 9
2.6902 9
2 Pb 3.696 7
3.1518 11
3.1518 11
3.0301 12
3.0301 12
3.0628 13
2.9891 10
2.9891 10
3 Fe 3.144 4
2.3324 8
2.3324 8
2.3026 10
2.3693 11
4 Cu 3.36 4
2.2854 9
2.3344 12
2.3344 12
2.3379 8
5 Cu 3.36 4
2.3734 13
2.3734 13
2.3491 10
2.3502 11
6 Cu 3.36 4
2.3424 8
2.4022 10
2.4022 10
2.2829 13
7 Cu 3.36 4
2.4591 8
2.3146 9
2.3542 11
2.3542 11
8 S 4.368 11
3.874 8
3.874 8
3.915 9
3.6888 10
3.6888 10
3.9205 11
3.9205 11
3.8888 13
3.4595 9
3.8971 12
3.8971 12
9 S 4.368 11
3.915 8
3.874 9
3.874 9
3.799 11
3.799 11
3.7931 12
3.7931 12
3.4595 8
3.7835 12
3.7835 12
4.2912 13
10 S 4.368 10
3.6888 8
3.6888 8
3.874 10
3.874 10
3.7525 11
3.9448 13
3.9448 13
3.4589 11
3.7826 13
3.7826 13
11 S 4.368 11
3.9205 8
3.9205 8
3.799 9
3.799 9
3.7525 10
3.874 11
3.874 11
4.0737 12
3.4589 10
3.961 13
3.961 13
12 S 4.368 11
3.7931 9
3.7931 9
4.0737 11
3.874 12
3.874 12
3.9549 13
3.9549 13
3.8971 8
3.8971 8
3.7835 9
3.7835 9
13 S 4.368 12
3.8888 8
3.9448 10
3.9448 10
3.9549 12
3.9549 12
3.874 13
3.874 13
4.2912 9
3.7826 10
3.7826 10
3.961 11
3.961 11
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 0 4.716 9.431 0.046 292.93 2 1.7 0.6
2 1 1 0 6.371 12.741 0.062 159.48 4 75.9 1435.1
3 0 2 0 8.571 17.143 0.083 87.1 2 17.1 19.9
4 2 0 0 9.464 18.927 0.092 71.05 2 114.9 732.7
5 1 2 0 9.8 19.6 0.095 66.11 4 91.0 855.5
6 2 1 0 10.4 20.8 0.101 58.46 4 111.6 1137.2
7 2 2 0 12.822 25.643 0.124 37.75 4 23.7 33.2
8 0 0 1 13.349 26.699 0.129 34.67 2 59.2 95.0
9 1 3 0 13.78 27.56 0.133 32.41 4 180.9 1657.0
10 1 0 1 14.187 28.374 0.137 30.47 4 20.5 20.0
11 3 0 0 14.278 28.557 0.138 30.05 2 31.0 22.5
12 1 1 1 14.843 29.685 0.143 27.66 8 159.0 2185.1
13 3 1 0 14.93 29.861 0.144 27.32 4 168.1 1205.9
14 0 2 1 15.951 31.902 0.154 23.7 4 312.9 3625.0
15 2 3 0 16.112 32.224 0.155 23.19 4 83.8 254.5
16 2 0 1 16.466 32.932 0.158 22.12 4 76.6 202.9
17 1 2 1 16.669 33.338 0.16 21.54 8 69.4 324.7
18 3 2 0 16.748 33.497 0.161 21.32 4 300.7 3013.6
19 2 1 1 17.043 34.085 0.164 20.53 8 243.6 3807.5
20 0 4 0 17.342 34.684 0.167 19.76 2 411.4 2613.5
21 1 4 0 18.012 36.023 0.173 18.19 4 163.6 761.2
22 2 2 1 18.678 37.355 0.179 16.8 8 65.4 224.4
23 4 0 0 19.199 38.397 0.184 15.81 2 22.5 6.3
24 1 3 1 19.374 38.748 0.185 15.49 8 162.8 1283.5
25 3 3 0 19.443 38.887 0.186 15.37 4 54.4 71.1
26 4 1 0 19.705 39.411 0.188 14.92 4 214.2 1069.6
27 3 0 1 19.745 39.491 0.189 14.85 4 339.8 2680.6
28 2 4 0 19.902 39.805 0.19 14.59 4 89.9 184.1
29 3 1 1 20.241 40.481 0.193 14.06 8 86.9 331.6
30 2 3 1 21.162 42.324 0.202 12.73 8 171.4 1168.0
31 4 2 0 21.164 42.329 0.202 12.72 4 129.0 331.1
32 3 2 1 21.67 43.34 0.206 12.07 8 79.8 240.2
33 0 4 1 22.151 44.301 0.211 11.48 4 192.9 668.1
34 1 5 0 22.43 44.861 0.213 11.16 4 89.9 141.1
35 1 4 1 22.7 45.399 0.216 10.87 8 24.5 20.4
36 3 4 0 22.761 45.522 0.216 10.8 4 30.4 15.6
37 4 3 0 23.431 46.862 0.222 10.12 4 133.7 282.5
38 4 0 1 23.691 47.382 0.225 9.87 4 79.6 97.8
39 3 3 1 23.898 47.796 0.226 9.67 8 67.1 136.0
40 2 5 0 24.033 48.066 0.228 9.55 4 247.3 912.6
41 4 1 1 24.121 48.241 0.228 9.47 8 229.4 1557.7
42 5 0 0 24.271 48.542 0.23 9.34 2 96.8 68.4
43 2 4 1 24.289 48.577 0.23 9.32 8 172.5 867.3
44 5 1 0 24.693 49.386 0.234 8.98 4 152.8 327.6
45 4 2 1 25.376 50.752 0.24 8.44 8 87.6 202.5
46 5 2 0 25.928 51.856 0.244 8.03 4 99.0 123.1
47 4 4 0 26.349 52.698 0.248 7.75 4 44.5 23.9
48 1 5 1 26.486 52.972 0.249 7.65 8 152.3 555.1
49 3 5 0 26.541 53.081 0.25 7.62 4 148.8 263.5
50 0 6 0 26.559 53.118 0.25 7.61 2 75.0 33.4
51 3 4 1 26.779 53.557 0.252 7.47 8 251.0 1469.6
52 1 6 0 27.04 54.08 0.254 7.3 4 64.8 47.9
53 4 3 1 27.375 54.75 0.257 7.1 8 178.3 705.7
54 0 0 2 27.502 55.004 0.258 7.03 2 550.2 1662.1
55 5 3 0 27.899 55.798 0.262 6.8 4 111.2 131.5
56 2 5 1 27.915 55.83 0.262 6.79 8 166.8 590.4
57 1 0 2 27.972 55.944 0.262 6.76 4 0.6 0.0
58 5 0 1 28.129 56.259 0.264 6.68 4 169.7 300.5
59 1 1 2 28.354 56.708 0.265 6.56 8 58.2 69.5
60 2 6 0 28.45 56.9 0.266 6.51 4 91.1 84.4
61 5 1 1 28.51 57.02 0.267 6.47 8 52.1 54.9
62 0 2 2 29.028 58.055 0.271 6.22 4 14.4 2.0
63 2 0 2 29.352 58.704 0.274 6.06 4 80.4 61.2
64 1 2 2 29.482 58.964 0.275 6.0 8 63.5 75.6
65 6 0 0 29.556 59.111 0.276 5.97 2 250.4 292.4
66 5 2 1 29.634 59.268 0.276 5.93 8 117.5 256.1
67 2 1 2 29.723 59.446 0.277 5.89 8 81.7 123.1
68 4 5 0 29.799 59.598 0.278 5.86 4 238.4 520.5
69 6 1 0 29.925 59.85 0.279 5.81 4 123.8 139.1
70 4 4 1 30.02 60.04 0.28 5.76 8 180.6 587.6
71 3 5 1 30.196 60.392 0.281 5.69 8 81.4 117.8
72 0 6 1 30.213 60.426 0.281 5.68 4 196.9 344.3
73 5 4 0 30.515 61.029 0.284 5.56 4 56.8 28.0
74 1 6 1 30.656 61.312 0.285 5.5 8 159.1 435.0
75 3 6 0 30.706 61.412 0.285 5.48 4 168.5 243.1
76 2 2 2 30.819 61.639 0.286 5.44 8 16.6 4.7
77 6 2 0 31.017 62.034 0.288 5.36 4 25.0 5.2
78 1 3 2 31.305 62.61 0.29 5.25 8 139.0 317.0
79 5 3 1 31.452 62.904 0.292 5.2 8 72.8 86.1
80 3 0 2 31.568 63.136 0.293 5.16 4 23.1 4.3
81 1 7 0 31.876 63.751 0.295 5.05 4 214.4 362.8
82 3 1 2 31.924 63.847 0.296 5.03 8 124.9 245.2
83 2 6 1 31.965 63.929 0.296 5.02 8 133.1 277.8
84 2 3 2 32.599 65.197 0.301 4.81 8 66.2 65.9
85 6 3 0 32.79 65.58 0.303 4.75 4 177.2 233.0
86 3 2 2 32.978 65.956 0.304 4.69 8 240.3 846.9
87 6 0 1 32.999 65.999 0.304 4.68 4 17.1 2.1
88 2 7 0 33.157 66.314 0.306 4.64 4 36.4 9.6
89 4 5 1 33.228 66.457 0.306 4.62 8 114.2 188.2
90 0 4 2 33.341 66.683 0.307 4.58 4 311.6 695.5
91 6 1 1 33.347 66.694 0.307 4.58 8 137.5 270.8
92 5 5 0 33.697 67.393 0.31 4.48 4 127.7 114.2
93 4 6 0 33.713 67.425 0.31 4.48 4 201.9 285.2
94 1 4 2 33.762 67.523 0.311 4.46 8 125.5 219.8
95 5 4 1 33.903 67.806 0.312 4.43 8 17.2 4.1
96 3 6 1 34.084 68.167 0.313 4.38 8 120.0 197.1
97 6 2 1 34.378 68.757 0.316 4.3 8 196.9 521.2
98 4 0 2 34.534 69.069 0.317 4.26 4 14.4 1.4
99 3 3 2 34.698 69.396 0.318 4.22 8 42.0 23.2
100 4 1 2 34.874 69.749 0.32 4.18 8 164.6 353.5
101 2 4 2 35.008 70.016 0.321 4.14 8 68.6 61.0
102 7 0 0 35.133 70.266 0.322 4.11 2 101.9 33.3
103 6 4 0 35.193 70.387 0.322 4.1 4 202.1 261.7
104 1 7 1 35.194 70.388 0.322 4.1 8 79.0 80.1
105 3 7 0 35.24 70.48 0.323 4.09 4 46.1 13.6
106 7 1 0 35.471 70.941 0.324 4.04 4 125.9 100.0
107 4 2 2 35.885 71.771 0.328 3.94 8 100.3 123.9
108 6 3 1 36.067 72.134 0.329 3.91 8 68.6 57.5
109 2 7 1 36.418 72.836 0.332 3.83 8 183.3 402.7
110 7 2 0 36.475 72.949 0.332 3.82 4 38.5 8.8
111 0 8 0 36.595 73.19 0.333 3.8 2 126.0 47.1
112 1 5 2 36.8 73.6 0.335 3.76 8 70.3 58.0
113 5 5 1 36.936 73.872 0.336 3.73 8 112.4 147.3
114 4 6 1 36.951 73.902 0.336 3.73 8 72.3 60.9
115 1 8 0 36.999 73.998 0.336 3.72 4 92.9 50.2
116 3 4 2 37.044 74.088 0.337 3.71 8 22.9 6.1
117 5 6 0 37.399 74.797 0.34 3.65 4 72.5 29.9
118 4 3 2 37.545 75.091 0.341 3.62 8 106.3 127.9
119 2 5 2 38.004 76.007 0.344 3.54 8 192.6 410.8
120 4 7 0 38.071 76.142 0.345 3.53 4 60.0 19.9
121 7 3 0 38.125 76.25 0.345 3.52 4 97.8 52.7
122 6 5 0 38.183 76.366 0.346 3.51 4 41.9 9.6
123 5 0 2 38.187 76.374 0.346 3.51 4 76.0 31.7
124 2 8 0 38.201 76.401 0.346 3.51 4 89.6 44.1
125 7 0 1 38.321 76.642 0.347 3.49 4 83.5 38.0
126 6 4 1 38.379 76.759 0.347 3.48 8 6.9 0.5
127 3 7 1 38.425 76.849 0.347 3.48 8 30.7 10.2
128 5 1 2 38.514 77.027 0.348 3.46 8 118.5 152.0
129 7 1 1 38.648 77.296 0.349 3.44 8 161.9 282.0
130 5 2 2 39.49 78.979 0.355 3.32 8 76.2 60.2
131 7 2 1 39.623 79.245 0.356 3.3 8 150.6 234.2
132 0 8 1 39.74 79.48 0.357 3.29 4 142.1 103.8
133 4 4 2 39.828 79.657 0.358 3.28 8 36.2 13.4
134 3 5 2 39.984 79.967 0.359 3.26 8 115.9 136.8
135 0 6 2 39.999 79.997 0.359 3.25 4 58.5 17.4
136 1 8 1 40.134 80.267 0.36 3.24 8 57.9 33.9
137 3 8 0 40.178 80.355 0.361 3.23 4 99.1 49.6
138 1 6 2 40.391 80.783 0.362 3.21 8 51.9 27.0
139 7 4 0 40.398 80.796 0.362 3.21 4 143.4 103.0
140 5 6 1 40.524 81.047 0.363 3.19 8 131.2 171.7
141 5 3 2 41.102 82.205 0.367 3.13 8 88.4 76.4
142 8 0 0 41.124 82.248 0.368 3.12 2 20.6 1.0
143 4 7 1 41.182 82.363 0.368 3.12 8 134.2 175.6
144 7 3 1 41.234 82.469 0.368 3.11 8 132.8 171.6
145 6 5 1 41.291 82.583 0.369 3.11 8 90.1 78.9
146 2 8 1 41.308 82.617 0.369 3.11 8 84.7 69.6
147 8 1 0 41.445 82.89 0.37 3.09 4 65.3 20.6
148 2 6 2 41.565 83.129 0.371 3.08 8 72.4 50.4
149 5 7 0 41.616 83.232 0.371 3.07 4 122.6 72.2
150 6 6 0 41.74 83.48 0.372 3.06 4 91.2 39.8
151 8 2 0 42.405 84.81 0.377 3.0 4 115.8 62.9
152 6 0 2 42.507 85.015 0.378 2.99 4 201.5 190.0
153 1 9 0 42.508 85.017 0.378 2.99 4 23.7 2.6
154 4 5 2 42.718 85.435 0.379 2.98 8 190.4 337.1
155 6 1 2 42.827 85.653 0.38 2.97 8 99.0 90.9
156 4 8 0 42.909 85.819 0.381 2.96 4 113.8 59.9
157 3 8 1 43.254 86.508 0.383 2.94 8 103.1 97.5
158 7 5 0 43.28 86.561 0.383 2.93 4 131.1 78.8
159 5 4 2 43.341 86.681 0.384 2.93 8 45.1 18.6
160 7 4 1 43.472 86.943 0.385 2.92 8 68.4 42.6
161 3 6 2 43.508 87.017 0.385 2.92 8 136.6 170.2
162 2 9 0 43.673 87.345 0.386 2.91 4 190.6 165.0
163 6 2 2 43.783 87.566 0.387 2.9 8 19.5 3.5
164 0 0 3 43.841 87.683 0.387 2.89 2 39.9 3.6
165 8 3 0 43.999 87.998 0.388 2.88 4 122.1 67.2
166 8 0 1 44.19 88.38 0.39 2.87 4 109.7 54.1
167 1 0 3 44.229 88.458 0.39 2.87 4 10.4 0.5
168 8 1 1 44.508 89.017 0.392 2.85 8 76.8 52.6
169 1 1 3 44.547 89.094 0.392 2.85 8 100.0 89.2
170 1 7 2 44.547 89.095 0.392 2.85 8 171.0 260.7
171 5 7 1 44.678 89.356 0.393 2.84 8 70.1 43.7
172 6 6 1 44.802 89.603 0.394 2.84 8 119.8 127.3
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 6.371 12.741 8.06118 1435.1 37.7 38.3 5.6
2 2 0 0 9.464 18.927 5.44 732.7 19.2 19.5 5.6
3 1 2 0 9.8 19.6 5.25504 855.5 22.5 22.7 5.6
4 2 1 0 10.4 20.8 4.95487 1137.2 29.9 30.2 5.6
5 0 0 1 13.349 26.699 3.874 95.0 2.5 2.5 5.6
6 1 3 0 13.78 27.56 3.75514 1657.0 43.5 43.8 5.6
7 1 1 1 14.843 29.685 3.49172 2185.1 57.4 57.6 5.6
8 3 1 0 14.93 29.861 3.47166 1205.9 31.7 31.8 5.6
9 0 2 1 15.951 31.902 3.2548 3625.0 95.2 95.4 5.6
10 2 3 0 16.112 32.224 3.22313 254.5 6.7 6.7 5.6
11 2 0 1 16.466 32.932 3.15561 202.9 5.3 5.3 5.6
12 1 2 1 16.669 33.338 3.11826 324.7 8.5 8.5 5.7
13 3 2 0 16.748 33.497 3.10395 3013.6 79.2 79.2 5.7
14 2 1 1 17.043 34.085 3.05191 3807.5 100.0 100.0 5.7
15 0 4 0 17.342 34.684 3.00075 2613.5 68.6 68.6 5.7
16 1 4 0 18.012 36.023 2.89274 761.2 20.0 20.0 5.7
17 2 2 1 18.678 37.355 2.79305 224.4 5.9 5.9 5.7
18 1 3 1 19.374 38.748 2.69633 1283.5 33.7 33.6 5.7
19 3 3 0 19.443 38.887 2.68706 71.1 1.9 1.9 5.7
20 4 1 0 19.705 39.411 2.65274 1069.6 28.1 28.0 5.7
21 3 0 1 19.745 39.491 2.64756 2680.6 70.4 70.0 5.7
22 2 4 0 19.902 39.805 2.62752 184.1 4.8 4.8 5.7
23 3 1 1 20.241 40.481 2.58542 331.6 8.7 8.7 5.7
24 2 3 1 21.162 42.324 2.47771 1499.1 39.4 39.1 5.7
25 3 2 1 21.67 43.34 2.42233 240.2 6.3 6.3 5.7
26 0 4 1 22.151 44.301 2.37231 668.1 17.5 17.4 5.7
27 1 5 0 22.43 44.861 2.34422 141.1 3.7 3.7 5.7
28 4 3 0 23.431 46.862 2.24942 282.5 7.4 7.3 5.7
29 4 0 1 23.691 47.382 2.22609 97.8 2.6 2.5 5.7
30 3 3 1 23.898 47.796 2.20793 136.0 3.6 3.5 5.7
31 2 5 0 24.033 48.066 2.19626 912.6 24.0 23.6 5.7
32 4 1 1 24.121 48.241 2.18877 1557.7 40.9 40.3 5.7
33 2 4 1 24.289 48.577 2.17454 935.7 24.6 24.2 5.7
34 5 1 0 24.693 49.386 2.1411 327.6 8.6 8.5 5.7
35 4 2 1 25.376 50.752 2.08714 202.5 5.3 5.2 5.8
36 5 2 0 25.928 51.856 2.04569 123.1 3.2 3.2 5.8
37 1 5 1 26.486 52.972 2.00561 555.1 14.6 14.3 5.8
38 3 5 0 26.541 53.081 2.00179 297.0 7.8 7.6 5.8
39 3 4 1 26.779 53.557 1.98529 1469.6 38.6 37.8 5.8
40 1 6 0 27.04 54.08 1.96752 47.9 1.3 1.2 5.8
41 4 3 1 27.375 54.75 1.94527 705.7 18.5 18.1 5.8
42 0 0 2 27.502 55.004 1.937 1662.1 43.7 42.7 5.8
43 2 5 1 27.915 55.83 1.91059 721.9 19.0 18.5 5.8
44 5 0 1 28.129 56.259 1.8972 300.5 7.9 7.7 5.8
45 1 1 2 28.354 56.708 1.88339 69.5 1.8 1.8 5.8
46 2 6 0 28.45 56.9 1.87757 84.4 2.2 2.2 5.8
47 5 1 1 28.51 57.02 1.87394 54.9 1.4 1.4 5.8
48 2 0 2 29.352 58.704 1.82478 61.2 1.6 1.6 5.8
49 1 2 2 29.482 58.964 1.81747 75.6 2.0 1.9 5.8
50 6 0 0 29.556 59.111 1.81333 292.4 7.7 7.5 5.8
51 5 2 1 29.634 59.268 1.80897 256.1 6.7 6.5 5.8
52 2 1 2 29.723 59.446 1.80405 123.1 3.2 3.1 5.8
53 4 5 0 29.799 59.598 1.79986 520.5 13.7 13.3 5.8
54 6 1 0 29.925 59.85 1.79299 139.1 3.7 3.5 5.8
55 4 4 1 30.02 60.04 1.78785 587.6 15.4 15.0 5.8
56 0 6 1 30.213 60.426 1.7775 462.1 12.1 11.8 5.8
57 1 6 1 30.656 61.312 1.75424 435.0 11.4 11.1 5.8
58 3 6 0 30.706 61.412 1.75168 243.1 6.4 6.2 5.8
59 1 3 2 31.305 62.61 1.72147 317.0 8.3 8.0 5.8
60 5 3 1 31.452 62.904 1.71424 86.1 2.3 2.2 5.9
61 1 7 0 31.876 63.751 1.69381 362.8 9.5 9.2 5.9
62 3 1 2 31.924 63.847 1.69152 245.2 6.4 6.2 5.9
63 2 6 1 31.965 63.929 1.68959 277.8 7.3 7.0 5.9
64 2 3 2 32.599 65.197 1.66025 65.9 1.7 1.7 5.9
65 6 3 0 32.79 65.58 1.65162 233.0 6.1 5.9 5.9
66 3 2 2 32.978 65.956 1.64328 849.1 22.3 21.4 5.9
67 4 5 1 33.228 66.457 1.6323 188.2 4.9 4.7 5.9
68 0 4 2 33.341 66.683 1.6274 966.3 25.4 24.4 5.9
69 4 6 0 33.713 67.425 1.61156 399.4 10.5 10.1 5.9
70 1 4 2 33.762 67.523 1.60949 219.8 5.8 5.5 5.9
71 3 6 1 34.084 68.167 1.5961 197.1 5.2 5.0 5.9
72 6 2 1 34.378 68.757 1.58408 521.2 13.7 13.1 5.9
73 4 1 2 34.874 69.749 1.56435 353.5 9.3 8.9 5.9
74 2 4 2 35.008 70.016 1.55913 61.0 1.6 1.5 5.9
75 6 4 0 35.193 70.387 1.55197 341.8 9.0 8.6 5.9
76 7 1 0 35.471 70.941 1.54142 100.0 2.6 2.5 5.9
77 4 2 2 35.885 71.771 1.52595 123.9 3.3 3.1 5.9
78 6 3 1 36.067 72.134 1.51931 57.5 1.5 1.4 5.9
79 2 7 1 36.418 72.836 1.50665 402.7 10.6 10.0 6.0
80 0 8 0 36.595 73.19 1.50038 47.1 1.2 1.2 6.0
81 1 5 2 36.8 73.6 1.4932 58.0 1.5 1.4 6.0
82 5 5 1 36.936 73.872 1.48848 208.3 5.5 5.2 6.0
83 1 8 0 36.999 73.998 1.48631 50.2 1.3 1.2 6.0
84 4 3 2 37.545 75.091 1.4678 127.9 3.4 3.2 6.0
85 2 5 2 38.004 76.007 1.45272 410.8 10.8 10.2 6.0
86 7 3 0 38.125 76.25 1.4488 52.7 1.4 1.3 6.0
87 2 8 0 38.201 76.401 1.44637 85.4 2.2 2.1 6.0
88 5 1 2 38.514 77.027 1.43642 152.0 4.0 3.8 6.0
89 7 1 1 38.648 77.296 1.43221 282.0 7.4 7.0 6.0
90 5 2 2 39.49 78.979 1.40652 60.2 1.6 1.5 6.0
91 7 2 1 39.623 79.245 1.40257 234.2 6.2 5.8 6.0
92 0 8 1 39.74 79.48 1.39911 103.8 2.7 2.6 6.0
93 3 5 2 39.984 79.967 1.39201 154.2 4.0 3.8 6.0
94 3 8 0 40.178 80.355 1.38641 49.6 1.3 1.2 6.0
95 7 4 0 40.398 80.796 1.38014 130.0 3.4 3.2 6.1
96 5 6 1 40.524 81.047 1.37659 171.7 4.5 4.2 6.1
97 5 3 2 41.102 82.205 1.36059 77.4 2.0 1.9 6.1
98 4 7 1 41.182 82.363 1.35844 175.6 4.6 4.3 6.1
99 7 3 1 41.234 82.469 1.35701 171.6 4.5 4.2 6.1
100 6 5 1 41.291 82.583 1.35547 148.5 3.9 3.6 6.1
101 2 6 2 41.565 83.129 1.34816 50.4 1.3 1.2 6.1
102 5 7 0 41.616 83.232 1.34681 72.2 1.9 1.8 6.1
103 6 6 0 41.74 83.48 1.34353 39.8 1.0 1.0 6.1
104 8 2 0 42.405 84.81 1.32637 62.9 1.7 1.5 6.1
105 6 0 2 42.507 85.015 1.32378 192.6 5.1 4.7 6.1
106 4 5 2 42.718 85.435 1.31851 337.1 8.9 8.2 6.1
107 6 1 2 42.827 85.653 1.3158 90.9 2.4 2.2 6.1
108 4 8 0 42.909 85.819 1.31376 59.9 1.6 1.5 6.1
109 3 8 1 43.254 86.508 1.30534 176.3 4.6 4.3 6.1
110 7 4 1 43.472 86.943 1.3001 42.6 1.1 1.0 6.1
111 3 6 2 43.508 87.017 1.29921 170.2 4.5 4.1 6.1
112 2 9 0 43.673 87.345 1.29531 165.0 4.3 4.0 6.2
113 8 3 0 43.999 87.998 1.28764 67.2 1.8 1.6 6.2
114 8 0 1 44.19 88.38 1.28322 54.1 1.4 1.3 6.2
115 8 1 1 44.508 89.017 1.27595 52.6 1.4 1.3 6.2
116 1 7 2 44.547 89.095 1.27507 349.9 9.2 8.4 6.2
117 5 7 1 44.678 89.356 1.27212 43.7 1.1 1.0 6.2
118 6 6 1 44.802 89.603 1.26936 127.3 3.3 3.1 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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