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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FRANCISITE
2, Er-analogue
Cu(3)Er[SeO(3)](2)O(2)Cl
Orthorhombic * Pmmn Z = 2
R =0.034 NR =482
1 .12 .1998
Ref.Str.:
Berrigan R., Gatehouse B.M. (1996)
* Acta Cryst., C52, 496-497
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.299 alpha = 90.0
b = 9.432 beta = 90.0
c = 6.967 gamma = 90.0
Unit cell volume (cub. angs.) = 413.92
Molar volume ( cub.cm/mol.) = 124.66
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.25 0.25 0.2655 0.0 Er = 1.00
2 0.0 0.0 0.0 0.01 Cu = 1.00
3 0.25 0.25 0.7949 0.01 Cu = 1.00
4 0.25 0.5606 0.59 0.01 Se = 1.00
5 0.25 0.1122 0.9981 0.01 O = 1.00
6 0.0393 0.5876 0.7371 0.01 O = 1.00
7 0.25 0.1188 0.5745 0.01 O = 1.00
8 0.25 0.75 0.1472 0.03 Cl = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.25 0.2655
2 2 0.0 0.0 0.0
3 3 0.25 0.25 0.7949
4 4 0.25 0.5606 0.59
5 5 0.25 0.1122 0.9981
6 6 0.0393 0.5876 0.7371
7 7 0.25 0.1188 0.5745
8 8 0.25 0.75 0.1472
9 2 0.5 0.5 0.0
10 4 0.25 0.9394 0.59
11 5 0.25 0.3878 0.9981
12 6 0.4607 0.9124 0.7371
13 7 0.25 0.3812 0.5745
14 2 0.5 0.0 0.0
15 6 0.4607 0.5876 0.7371
16 2 0.0 0.5 0.0
17 6 0.0393 0.9124 0.7371
18 1 0.75 0.75 0.7345
19 3 0.75 0.75 0.2051
20 4 0.75 0.0606 0.41
21 5 0.75 0.6122 0.0019
22 6 0.5393 0.0876 0.2629
23 7 0.75 0.6188 0.4255
24 8 0.75 0.25 0.8528
25 4 0.75 0.4394 0.41
26 5 0.75 0.8878 0.0019
27 6 0.9607 0.4124 0.2629
28 7 0.75 0.8812 0.4255
29 6 0.9607 0.0876 0.2629
30 6 0.5393 0.4124 0.2629
X-ray density (g/cm cub.) = 5.45
MU (1/cm) = 418.778 Mass attenuation coefficient (cm**2/g) = 76.865
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Er 3.192 8
2.2716 5
2.4831 7
2.2716 5
2.4831 7
2.3806 6
2.3806 6
2.3806 6
2.3806 6
2 Cu 3.348 6
1.8974 5
3.0153 8
2.0246 6
3.0153 8
1.8974 5
2.0246 6
3 Cu 3.348 6
1.9218 5
1.9721 7
1.9218 5
1.9721 7
3.1752 8
3.1752 8
4 Se 3.0 3
1.6961 6
1.6955 7
1.6961 6
5 O 3.804 11
2.9519 7
3.5707 8
2.5995 5
2.9359 6
2.9359 6
2.6035 6
3.5544 8
3.5544 8
3.7947 5
3.7947 5
2.6035 6
6 O 3.804 10
3.503 8
2.9359 5
2.6143 7
2.6544 6
3.6446 6
3.0635 6
2.6035 5
2.8496 7
3.7563 8
3.727 6
7 O 3.804 6
2.9519 5
2.6143 6
2.475 7
2.6143 6
2.8496 6
2.8496 6
8 Cl 4.344 18
3.5707 5
3.503 6
3.5707 5
3.503 6
3.503 6
3.503 6
3.5544 5
3.5544 5
3.7563 6
3.9 7
3.9 7
3.5544 5
3.5544 5
3.7563 6
3.9 7
3.9 7
3.7563 6
3.7563 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 0 0 1 6.348 12.695 0.072 160.65 2 19.5 71.4
2 0 1 1 7.9 15.801 0.089 102.91 4 80.4 1551.9
3 1 1 0 8.456 16.912 0.095 89.55 4 114.5 2742.4
4 0 2 0 9.4 18.801 0.106 72.04 2 33.5 94.5
5 1 0 1 9.489 18.978 0.107 70.67 4 9.8 15.9
6 1 1 1 10.601 21.203 0.119 56.18 8 24.8 161.1
7 0 2 1 11.375 22.751 0.128 48.52 4 7.3 6.0
8 0 0 2 12.775 25.55 0.144 38.04 2 12.9 7.4
9 1 2 1 13.419 26.838 0.151 34.29 8 127.0 2581.2
10 0 1 2 13.634 27.268 0.153 33.15 4 100.9 787.3
11 2 0 0 14.157 28.313 0.159 30.6 2 197.0 1386.9
12 1 0 2 14.636 29.273 0.164 28.5 4 102.5 699.6
13 1 1 2 15.4 30.8 0.172 25.56 8 115.3 1587.7
14 2 0 1 15.569 31.138 0.174 24.97 4 161.8 1526.5
15 0 3 1 15.592 31.185 0.174 24.89 4 61.6 220.3
16 1 3 0 15.892 31.784 0.178 23.89 4 190.1 2015.0
17 0 2 2 15.956 31.913 0.178 23.68 4 255.5 3607.5
18 2 1 1 16.293 32.586 0.182 22.63 8 22.7 54.5
19 2 2 0 17.103 34.207 0.191 20.37 4 199.1 1885.3
20 1 3 1 17.176 34.351 0.192 20.18 8 97.2 889.9
21 1 2 2 17.51 35.021 0.195 19.35 8 90.6 741.2
22 2 2 1 18.312 36.624 0.204 17.54 8 171.3 2402.7
23 0 4 0 19.067 38.133 0.212 16.05 2 192.4 693.4
24 2 0 2 19.251 38.503 0.214 15.71 4 113.0 468.0
25 0 3 2 19.271 38.541 0.214 15.68 4 12.1 5.3
26 0 0 3 19.371 38.742 0.215 15.5 2 103.3 192.9
27 2 1 2 19.857 39.714 0.22 14.67 8 84.4 487.5
28 0 1 3 19.974 39.948 0.222 14.48 4 65.4 144.8
29 0 4 1 20.174 40.348 0.224 14.16 4 105.4 367.4
30 1 3 2 20.607 41.214 0.228 13.51 8 120.2 910.9
31 1 0 3 20.702 41.404 0.229 13.37 4 159.0 789.4
32 1 1 3 21.273 42.547 0.236 12.58 8 18.5 20.1
33 2 3 1 21.31 42.619 0.236 12.53 8 23.3 31.6
34 1 4 1 21.463 42.927 0.238 12.33 8 76.9 340.8
35 2 2 2 21.589 43.179 0.239 12.17 8 92.7 488.2
36 0 2 3 21.698 43.397 0.24 12.03 4 134.5 508.0
37 3 1 0 22.076 44.152 0.244 11.57 4 115.4 359.6
38 3 0 1 22.529 45.059 0.249 11.05 4 28.3 20.7
39 1 2 3 22.918 45.836 0.253 10.63 8 19.5 18.9
40 3 1 1 23.064 46.128 0.254 10.48 8 20.4 20.5
41 0 4 2 23.233 46.466 0.256 10.31 4 46.0 50.8
42 2 4 0 24.084 48.168 0.265 9.5 4 51.7 59.4
43 2 3 2 24.253 48.507 0.267 9.35 8 0.7 0.0
44 2 0 3 24.337 48.674 0.268 9.28 4 95.2 196.3
45 0 3 3 24.353 48.706 0.268 9.27 4 95.5 197.3
46 1 4 2 24.393 48.786 0.268 9.23 8 30.4 39.9
47 3 2 1 24.615 49.23 0.27 9.04 8 86.1 313.0
48 2 1 3 24.842 49.684 0.273 8.86 8 22.3 20.6
49 2 4 1 25.011 50.022 0.274 8.72 8 76.4 237.5
50 0 5 1 25.026 50.053 0.275 8.71 4 91.6 170.8
51 1 5 0 25.23 50.46 0.277 8.55 4 0.9 0.0
52 3 0 2 25.363 50.725 0.278 8.45 4 74.4 109.3
53 1 3 3 25.474 50.949 0.279 8.36 8 11.2 4.9
54 3 1 2 25.853 51.706 0.283 8.09 8 120.8 551.5
55 1 5 1 26.127 52.253 0.286 7.9 8 66.9 165.0
56 3 3 0 26.177 52.354 0.286 7.86 4 136.9 344.1
57 0 0 4 26.247 52.494 0.287 7.81 2 149.3 203.3
58 2 2 3 26.314 52.628 0.288 7.77 8 50.5 92.6
59 0 1 4 26.726 53.452 0.292 7.5 4 70.3 86.6
60 3 3 1 27.051 54.103 0.295 7.3 8 78.5 209.7
61 3 2 2 27.286 54.572 0.298 7.15 8 77.3 199.8
62 1 0 4 27.312 54.625 0.298 7.14 4 140.2 327.5
63 2 4 2 27.654 55.309 0.301 6.94 8 244.3 1932.8
64 0 5 2 27.669 55.338 0.301 6.93 4 142.9 330.3
65 0 4 3 27.745 55.49 0.302 6.89 4 40.0 25.8
66 1 1 4 27.778 55.557 0.303 6.87 8 134.1 576.4
67 0 2 4 28.128 56.256 0.306 6.68 4 17.4 4.7
68 2 3 3 28.648 57.297 0.311 6.4 8 150.1 673.9
69 1 5 2 28.698 57.396 0.312 6.38 8 151.5 684.1
70 1 4 3 28.772 57.545 0.312 6.34 8 34.6 35.5
71 1 2 4 29.146 58.293 0.316 6.16 8 8.1 1.9
72 2 5 1 29.252 58.503 0.317 6.11 8 61.9 109.2
73 4 0 0 29.284 58.569 0.318 6.1 2 357.0 906.9
74 0 6 0 29.341 58.681 0.318 6.07 2 156.2 172.9
75 3 3 2 29.568 59.137 0.32 5.96 8 72.5 146.3
76 3 0 3 29.641 59.283 0.321 5.93 4 163.8 371.5
77 3 1 3 30.084 60.168 0.325 5.74 8 16.6 7.4
78 4 0 1 30.098 60.196 0.326 5.73 4 23.4 7.3
79 0 6 1 30.154 60.307 0.326 5.71 4 112.1 167.5
80 3 4 1 30.232 60.465 0.327 5.67 8 46.4 57.0
81 2 0 4 30.356 60.711 0.328 5.62 4 77.3 78.4
82 0 3 4 30.369 60.739 0.328 5.62 4 116.0 176.5
83 4 1 1 30.537 61.073 0.33 5.55 8 44.3 50.9
84 2 1 4 30.792 61.584 0.332 5.45 8 55.8 79.2
85 4 2 0 31.044 62.088 0.335 5.35 4 17.3 3.7
86 1 6 1 31.13 62.261 0.336 5.32 8 14.2 5.0
87 1 3 4 31.343 62.685 0.338 5.24 8 51.9 65.8
88 3 2 3 31.389 62.778 0.338 5.22 8 30.9 23.3
89 2 5 2 31.657 63.314 0.341 5.13 8 131.0 410.4
90 2 4 3 31.727 63.454 0.341 5.1 8 111.7 297.1
91 0 5 3 31.74 63.481 0.341 5.1 4 23.7 6.7
92 4 2 1 31.831 63.662 0.342 5.06 8 13.6 4.4
93 2 2 4 32.08 64.16 0.345 4.98 8 197.8 909.4
94 4 0 2 32.466 64.933 0.348 4.85 4 9.6 1.0
95 0 6 2 32.519 65.038 0.349 4.83 4 186.0 390.7
96 3 4 2 32.595 65.19 0.35 4.81 8 23.4 12.3
97 1 5 3 32.69 65.38 0.351 4.78 8 5.3 0.6
98 4 1 2 32.887 65.773 0.352 4.72 8 74.6 122.8
99 2 6 0 33.206 66.411 0.355 4.62 4 248.7 667.6
100 3 5 0 33.293 66.587 0.356 4.6 4 10.7 1.2
101 0 4 4 33.354 66.708 0.357 4.58 4 120.3 154.7
102 1 6 2 33.457 66.915 0.358 4.55 8 34.8 25.7
103 3 3 3 33.499 66.999 0.358 4.54 8 4.0 0.3
104 0 0 5 33.56 67.119 0.359 4.52 2 170.5 153.5
105 4 3 1 33.927 67.853 0.362 4.42 8 28.4 16.6
106 2 6 1 33.966 67.931 0.363 4.41 8 51.5 54.6
107 0 1 5 33.973 67.947 0.363 4.41 4 91.8 86.6
108 3 5 1 34.052 68.105 0.363 4.38 8 59.3 72.0
109 4 2 2 34.132 68.264 0.364 4.36 8 207.3 875.3
110 2 3 4 34.168 68.336 0.365 4.35 8 127.2 329.1
111 1 4 4 34.281 68.561 0.366 4.32 8 45.0 40.9
112 1 0 5 34.484 68.967 0.368 4.27 4 1.3 0.0
113 1 1 5 34.892 69.784 0.371 4.17 8 7.1 1.0
114 3 0 4 35.072 70.143 0.373 4.13 4 132.2 168.5
115 0 2 5 35.2 70.4 0.374 4.1 4 127.2 154.8
116 2 5 3 35.461 70.921 0.377 4.04 8 41.5 32.4
117 3 1 4 35.477 70.954 0.377 4.03 8 130.8 322.4
118 0 7 1 35.61 71.219 0.378 4.0 4 12.7 1.5
119 1 7 0 35.775 71.549 0.379 3.97 4 147.8 202.3
120 4 4 0 36.029 72.058 0.382 3.91 4 171.3 268.2
121 1 2 5 36.104 72.209 0.382 3.9 8 60.5 66.7
122 4 3 2 36.162 72.324 0.383 3.89 8 9.6 1.7
123 2 6 2 36.2 72.399 0.383 3.88 8 20.9 7.9
124 4 0 3 36.228 72.455 0.384 3.87 4 74.9 50.7
125 0 6 3 36.278 72.556 0.384 3.86 4 80.6 58.5
126 3 5 2 36.284 72.568 0.384 3.86 8 143.5 371.3
127 3 4 3 36.35 72.7 0.385 3.85 8 17.6 5.6
128 1 7 1 36.51 73.02 0.386 3.81 8 34.8 21.6
129 4 1 3 36.628 73.255 0.387 3.79 8 35.5 22.3
130 3 2 4 36.681 73.363 0.388 3.78 8 3.6 0.2
131 4 4 1 36.762 73.524 0.388 3.77 8 84.8 126.4
132 2 4 4 36.996 73.991 0.391 3.72 8 6.5 0.7
133 0 5 4 37.008 74.016 0.391 3.72 4 8.3 0.6
134 1 6 3 37.172 74.344 0.392 3.69 8 84.4 122.5
135 2 0 5 37.192 74.385 0.392 3.68 4 33.1 9.4
136 0 3 5 37.205 74.409 0.392 3.68 4 35.5 10.8
137 2 1 5 37.588 75.177 0.396 3.61 8 64.4 70.0
138 0 7 2 37.803 75.605 0.398 3.58 4 11.3 1.1
139 4 2 3 37.818 75.635 0.398 3.57 8 107.1 191.3
140 1 5 4 37.896 75.791 0.399 3.56 8 136.1 308.1
141 5 1 0 38.087 76.174 0.4 3.53 4 63.4 33.1
142 1 3 5 38.091 76.181 0.4 3.53 8 53.2 46.6
143 5 0 1 38.414 76.829 0.403 3.48 4 23.1 4.3
144 3 6 1 38.464 76.928 0.404 3.47 8 34.3 19.0
145 3 3 4 38.657 77.313 0.405 3.44 8 25.3 10.3
146 1 7 2 38.684 77.368 0.406 3.44 8 55.9 50.2
147 2 2 5 38.768 77.536 0.406 3.42 8 15.3 3.7
148 5 1 1 38.806 77.613 0.407 3.42 8 18.9 5.7
149 4 4 2 38.931 77.862 0.408 3.4 8 38.7 23.7
150 2 7 1 39.164 78.328 0.41 3.37 8 17.9 5.1
151 4 3 3 39.774 79.549 0.415 3.28 8 93.3 133.5
152 2 6 3 39.811 79.622 0.416 3.28 8 54.6 45.6
153 3 5 3 39.893 79.786 0.416 3.27 8 2.6 0.1
154 0 4 5 39.949 79.899 0.417 3.26 4 63.3 30.5
155 5 2 1 39.975 79.95 0.417 3.26 8 85.5 111.2
156 4 5 1 40.293 80.587 0.42 3.22 8 64.9 63.4
157 2 5 4 40.52 81.041 0.422 3.19 8 2.6 0.1
158 5 0 2 40.556 81.111 0.422 3.19 4 64.9 31.4
159 3 6 2 40.604 81.208 0.422 3.18 8 28.4 12.0
160 2 3 5 40.712 81.424 0.423 3.17 8 73.7 80.4
161 0 8 0 40.793 81.587 0.424 3.16 2 126.4 59.0
162 1 4 5 40.817 81.635 0.424 3.16 8 46.9 32.4
163 5 1 2 40.942 81.884 0.425 3.14 8 78.5 90.6
164 5 3 0 41.2 82.4 0.428 3.12 4 154.9 174.5
165 4 0 4 41.256 82.512 0.428 3.11 4 103.7 78.2
166 2 7 2 41.295 82.59 0.428 3.11 8 6.5 0.6
167 0 6 4 41.305 82.609 0.428 3.11 4 13.8 1.4
168 0 7 3 41.37 82.74 0.429 3.1 4 103.8 78.0
169 3 4 4 41.374 82.747 0.429 3.1 8 37.4 20.3
170 0 8 1 41.5 83.0 0.43 3.09 4 145.5 152.6
171 0 0 6 41.557 83.114 0.431 3.08 2 59.7 12.8
172 3 0 5 41.564 83.129 0.431 3.08 4 18.0 2.3
173 4 1 4 41.641 83.282 0.431 3.07 8 52.6 39.7
174 5 3 1 41.906 83.811 0.434 3.05 8 66.9 63.6
175 0 1 6 41.942 83.884 0.434 3.04 4 55.9 22.2
176 3 1 5 41.949 83.898 0.434 3.04 8 11.6 1.9
177 5 2 2 42.097 84.194 0.435 3.03 8 65.9 61.4
178 1 6 4 42.167 84.334 0.436 3.02 8 84.9 101.8
179 1 7 3 42.232 84.465 0.436 3.02 8 20.6 6.0
180 1 8 1 42.362 84.724 0.437 3.01 8 80.3 90.5
181 4 5 2 42.412 84.824 0.438 3.0 8 115.2 185.9
182 1 0 6 42.419 84.838 0.438 3.0 4 93.7 61.5
183 4 4 3 42.475 84.95 0.438 3.0 8 36.5 18.6
184 3 7 0 42.785 85.571 0.441 2.97 4 145.7 147.2
185 4 2 4 42.793 85.586 0.441 2.97 8 18.9 4.9
186 1 1 6 42.802 85.604 0.441 2.97 8 32.5 14.7
187 0 2 6 43.093 86.185 0.443 2.95 4 46.4 14.8
188 3 2 5 43.1 86.199 0.444 2.95 8 45.8 28.9
189 2 4 5 43.402 86.804 0.446 2.92 8 84.4 97.3
190 0 5 5 43.414 86.828 0.446 2.92 4 100.3 68.7
191 3 7 1 43.487 86.975 0.447 2.92 8 33.2 15.0
192 0 8 2 43.609 87.219 0.448 2.91 4 37.2 9.4
193 4 6 0 43.817 87.634 0.449 2.9 4 112.1 85.0
194 1 2 6 43.951 87.901 0.451 2.89 8 67.4 61.2
195 5 3 2 44.012 88.025 0.451 2.88 8 92.0 113.9
196 5 0 3 44.075 88.15 0.452 2.88 4 95.3 61.0
197 3 6 3 44.123 88.246 0.452 2.88 8 95.5 122.6
198 2 8 0 44.236 88.471 0.453 2.87 4 2.0 0.0
199 1 5 5 44.271 88.543 0.453 2.87 8 66.9 59.9
200 5 1 3 44.457 88.915 0.455 2.86 8 7.7 0.8
201 1 8 2 44.467 88.933 0.455 2.86 8 71.7 68.6
202 4 6 1 44.518 89.036 0.455 2.85 8 92.0 112.8
203 5 4 1 44.586 89.173 0.456 2.85 8 57.7 44.3
204 4 3 4 44.706 89.412 0.457 2.84 8 101.5 136.7
205 2 6 4 44.742 89.484 0.457 2.84 8 82.3 89.9
206 2 7 3 44.807 89.614 0.457 2.84 8 73.7 71.9
207 3 5 4 44.822 89.645 0.458 2.84 8 131.6 229.5
208 2 8 1 44.936 89.872 0.458 2.83 8 5.2 0.4
209 2 0 6 44.993 89.985 0.459 2.83 4 155.0 158.6
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 0 1 6.348 12.695 6.967 71.4 2.0 2.0 5.6
2 0 1 1 7.9 15.801 5.60397 1551.9 43.0 43.5 5.6
3 1 1 0 8.456 16.912 5.23826 2742.4 76.0 76.9 5.6
4 0 2 0 9.4 18.801 4.716 94.5 2.6 2.6 5.6
5 1 1 1 10.601 21.203 4.18685 161.1 4.5 4.5 5.6
6 1 2 1 13.419 26.838 3.3192 2581.2 71.6 71.8 5.6
7 0 1 2 13.634 27.268 3.26776 787.3 21.8 21.9 5.6
8 2 0 0 14.157 28.313 3.1495 1386.9 38.4 38.6 5.6
9 1 0 2 14.636 29.273 3.0484 699.6 19.4 19.4 5.6
10 1 1 2 15.4 30.8 2.90066 1587.7 44.0 44.1 5.6
11 2 0 1 15.569 31.138 2.86988 1746.8 48.4 48.5 5.6
12 1 3 0 15.892 31.784 2.81306 2015.0 55.9 55.9 5.6
13 0 2 2 15.956 31.913 2.80198 3607.5 100.0 100.0 5.6
14 2 1 1 16.293 32.586 2.7456 54.5 1.5 1.5 5.6
15 2 2 0 17.103 34.207 2.61913 1885.3 52.3 52.2 5.7
16 1 3 1 17.176 34.351 2.60846 889.9 24.7 24.6 5.7
17 1 2 2 17.51 35.021 2.56012 741.2 20.5 20.5 5.7
18 2 2 1 18.312 36.624 2.45162 2402.7 66.6 66.3 5.7
19 0 4 0 19.067 38.133 2.358 693.4 19.2 19.1 5.7
20 2 0 2 19.251 38.503 2.33621 473.4 13.1 13.0 5.7
21 0 0 3 19.371 38.742 2.32233 192.9 5.3 5.3 5.7
22 2 1 2 19.857 39.714 2.26769 487.5 13.5 13.4 5.7
23 0 1 3 19.974 39.948 2.25499 144.8 4.0 4.0 5.7
24 0 4 1 20.174 40.348 2.23354 367.4 10.2 10.1 5.7
25 1 3 2 20.607 41.214 2.18856 910.9 25.3 25.0 5.7
26 1 0 3 20.702 41.404 2.17896 789.4 21.9 21.7 5.7
27 1 4 1 21.463 42.927 2.10512 340.8 9.4 9.3 5.7
28 2 2 2 21.589 43.179 2.09343 488.2 13.5 13.4 5.7
29 0 2 3 21.698 43.397 2.08342 508.0 14.1 13.9 5.7
30 3 1 0 22.076 44.152 2.0495 359.6 10.0 9.9 5.7
31 0 4 2 23.233 46.466 1.9527 50.8 1.4 1.4 5.7
32 2 4 0 24.084 48.168 1.88759 59.4 1.6 1.6 5.7
33 0 3 3 24.353 48.706 1.86799 393.6 10.9 10.7 5.7
34 1 4 2 24.393 48.786 1.86513 39.9 1.1 1.1 5.7
35 3 2 1 24.615 49.23 1.84934 313.0 8.7 8.5 5.7
36 2 4 1 25.011 50.022 1.8219 408.2 11.3 11.1 5.7
37 3 0 2 25.363 50.725 1.79827 109.3 3.0 3.0 5.8
38 3 1 2 25.853 51.706 1.76645 551.5 15.3 15.0 5.8
39 1 5 1 26.127 52.253 1.74922 165.0 4.6 4.5 5.8
40 3 3 0 26.177 52.354 1.74609 344.1 9.5 9.3 5.8
41 0 0 4 26.247 52.494 1.74175 203.3 5.6 5.5 5.8
42 2 2 3 26.314 52.628 1.73764 92.6 2.6 2.5 5.8
43 0 1 4 26.726 53.452 1.71279 86.6 2.4 2.3 5.8
44 3 3 1 27.051 54.103 1.69371 209.7 5.8 5.7 5.8
45 1 0 4 27.312 54.625 1.67875 527.3 14.6 14.3 5.8
46 2 4 2 27.654 55.309 1.6596 2263.1 62.7 61.2 5.8
47 1 1 4 27.778 55.557 1.65278 576.4 16.0 15.6 5.8
48 2 3 3 28.648 57.297 1.60665 673.9 18.7 18.2 5.8
49 1 5 2 28.698 57.396 1.60411 684.1 19.0 18.4 5.8
50 2 5 1 29.252 58.503 1.57635 109.2 3.0 2.9 5.8
51 4 0 0 29.284 58.569 1.57475 906.9 25.1 24.4 5.8
52 0 6 0 29.341 58.681 1.572 172.9 4.8 4.7 5.8
53 3 3 2 29.568 59.137 1.56097 146.3 4.1 3.9 5.8
54 3 0 3 29.641 59.283 1.55748 371.5 10.3 10.0 5.8
55 0 6 1 30.154 60.307 1.53345 167.5 4.6 4.5 5.8
56 3 4 1 30.232 60.465 1.52983 57.0 1.6 1.5 5.8
57 0 3 4 30.369 60.739 1.52357 254.9 7.1 6.8 5.8
58 4 1 1 30.537 61.073 1.51603 50.9 1.4 1.4 5.8
59 2 1 4 30.792 61.584 1.50468 79.2 2.2 2.1 5.8
60 1 3 4 31.343 62.685 1.48087 65.8 1.8 1.8 5.8
61 2 5 2 31.657 63.314 1.46767 410.4 11.4 11.0 5.9
62 2 4 3 31.727 63.454 1.46477 303.8 8.4 8.1 5.9
63 2 2 4 32.08 64.16 1.45033 909.4 25.2 24.3 5.9
64 0 6 2 32.519 65.038 1.43286 390.7 10.8 10.4 5.9
65 4 1 2 32.887 65.773 1.41862 122.8 3.4 3.3 5.9
66 2 6 0 33.206 66.411 1.40653 667.6 18.5 17.7 5.9
67 0 4 4 33.354 66.708 1.40099 154.7 4.3 4.1 5.9
68 0 0 5 33.56 67.119 1.3934 153.5 4.3 4.1 5.9
69 0 1 5 33.973 67.947 1.37844 141.2 3.9 3.7 5.9
70 3 5 1 34.052 68.105 1.37562 72.0 2.0 1.9 5.9
71 4 2 2 34.132 68.264 1.3728 875.3 24.3 23.2 5.9
72 2 3 4 34.168 68.336 1.37152 329.1 9.1 8.7 5.9
73 1 4 4 34.281 68.561 1.36757 40.9 1.1 1.1 5.9
74 3 0 4 35.072 70.143 1.34055 168.5 4.7 4.4 5.9
75 0 2 5 35.2 70.4 1.33629 154.8 4.3 4.1 5.9
76 3 1 4 35.477 70.954 1.32721 354.8 9.8 9.4 5.9
77 1 7 0 35.775 71.549 1.31762 202.3 5.6 5.3 5.9
78 4 4 0 36.029 72.058 1.30957 268.2 7.4 7.1 5.9
79 1 2 5 36.104 72.209 1.3072 66.7 1.8 1.8 5.9
80 4 0 3 36.228 72.455 1.30336 58.6 1.6 1.5 5.9
81 3 5 2 36.284 72.568 1.30161 429.8 11.9 11.3 6.0
82 4 4 1 36.762 73.524 1.28703 126.4 3.5 3.3 6.0
83 1 6 3 37.172 74.344 1.27486 132.0 3.7 3.5 6.0
84 2 1 5 37.588 75.177 1.26279 70.0 1.9 1.8 6.0
85 4 2 3 37.818 75.635 1.25627 192.4 5.3 5.0 6.0
86 1 5 4 37.896 75.791 1.25407 308.1 8.5 8.0 6.0
87 1 3 5 38.091 76.181 1.24862 79.7 2.2 2.1 6.0
88 1 7 2 38.684 77.368 1.23241 60.5 1.7 1.6 6.0
89 4 3 3 39.774 79.549 1.204 133.5 3.7 3.5 6.0
90 2 6 3 39.811 79.622 1.20308 45.6 1.3 1.2 6.0
91 5 2 1 39.975 79.95 1.19896 141.7 3.9 3.7 6.0
92 4 5 1 40.293 80.587 1.19109 63.4 1.8 1.6 6.1
93 2 3 5 40.712 81.424 1.18095 80.4 2.2 2.1 6.1
94 0 8 0 40.793 81.587 1.179 91.4 2.5 2.4 6.1
95 5 1 2 40.942 81.884 1.17547 90.6 2.5 2.3 6.1
96 5 3 0 41.2 82.4 1.16941 174.5 4.8 4.5 6.1
97 4 0 4 41.256 82.512 1.16811 78.2 2.2 2.0 6.1
98 0 7 3 41.37 82.74 1.16546 98.3 2.7 2.5 6.1
99 0 8 1 41.5 83.0 1.16247 152.6 4.2 3.9 6.1
100 4 1 4 41.641 83.282 1.15925 39.7 1.1 1.0 6.1
101 5 3 1 41.906 83.811 1.15328 63.6 1.8 1.6 6.1
102 5 2 2 42.097 84.194 1.14901 61.4 1.7 1.6 6.1
103 1 6 4 42.167 84.334 1.14746 101.8 2.8 2.6 6.1
104 1 8 1 42.362 84.724 1.14317 90.5 2.5 2.3 6.1
105 4 5 2 42.412 84.824 1.14207 247.3 6.9 6.3 6.1
106 3 7 0 42.785 85.571 1.13401 166.8 4.6 4.3 6.1
107 3 2 5 43.1 86.199 1.12734 43.7 1.2 1.1 6.1
108 2 4 5 43.402 86.804 1.12104 166.0 4.6 4.2 6.1
109 4 6 0 43.817 87.634 1.11254 85.0 2.4 2.2 6.2
110 1 2 6 43.951 87.901 1.10985 61.2 1.7 1.6 6.2
111 5 3 2 44.012 88.025 1.10861 113.9 3.2 2.9 6.2
112 5 0 3 44.075 88.15 1.10736 61.0 1.7 1.5 6.2
113 3 6 3 44.123 88.246 1.1064 122.6 3.4 3.1 6.2
114 1 5 5 44.271 88.543 1.10346 59.9 1.7 1.5 6.2
115 1 8 2 44.467 88.933 1.09962 68.6 1.9 1.7 6.2
116 4 6 1 44.518 89.036 1.09862 112.8 3.1 2.9 6.2
117 5 4 1 44.586 89.173 1.09729 44.3 1.2 1.1 6.2
118 4 3 4 44.706 89.412 1.09497 136.7 3.8 3.5 6.2
119 2 6 4 44.742 89.484 1.09428 89.9 2.5 2.3 6.2
120 3 5 4 44.822 89.645 1.09273 301.4 8.4 7.6 6.2
121 2 0 6 44.993 89.985 1.08948 158.6 4.4 4.0 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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