Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
ARGYRODITE
4, beta, analogue, at 293'C
Cu(7)PSe(6)
Cubic P 2(1)3 Z = 4
R =0.0297 NR =1627
26 .6 .1900
Ref.Str.:
E. Gaudin, F. Boucher, V. Petricek, F. Taulelle and M. Evain (2000)
* Acta Cryst., B56, 402-408
Reserv:
The argyrodite-type ionic conductors. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.108 alpha = 90.0
b = 10.108 beta = 90.0
c = 10.108 gamma = 90.0
Unit cell volume (cub. angs.) = 1032.75
Molar volume ( cub.cm/mol.) = 155.52
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7485 0.7485 0.7485 0.01 P = 1.00
2 0.8748 0.8748 0.8748 0.01 Se = 1.00
3 0.3708 0.3765 0.8808 0.01 Se = 1.00
4 0.236 0.236 0.236 0.02 Se = 1.00
5 0.4908 0.4908 0.4908 0.02 Se = 1.00
6 0.072 0.9108 0.7304 0.05 Cu = 1.00
7 0.0024 0.0034 0.2795 0.06 Cu = 0.68, Cu = 0.0
8 0.0636 0.0578 0.2639 0.03 Cu = 0.32, Cu = 0.0
9 0.3608 0.3608 0.3608 0.2 Cu = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7485 0.7485 0.7485
2 2 0.8748 0.8748 0.8748
3 3 0.3708 0.3765 0.8808
4 4 0.236 0.236 0.236
5 5 0.4908 0.4908 0.4908
6 6 0.072 0.9108 0.7304
7 7 0.0024 0.0034 0.2795
8 8 0.0636 0.0578 0.2639
9 9 0.3608 0.3608 0.3608
10 1 0.7515 0.2515 0.2485
11 2 0.6252 0.1252 0.3748
12 3 0.1292 0.6235 0.3808
13 4 0.264 0.764 0.736
14 5 0.0092 0.5092 0.9908
15 6 0.428 0.0892 0.2304
16 7 0.4976 0.9966 0.7795
17 8 0.4364 0.9422 0.7639
18 9 0.1392 0.6392 0.8608
19 1 0.2515 0.2485 0.7515
20 2 0.1252 0.3748 0.6252
21 3 0.6292 0.8765 0.6192
22 4 0.764 0.736 0.264
23 5 0.5092 0.9908 0.0092
24 6 0.928 0.4108 0.7696
25 7 0.9976 0.5034 0.2205
26 8 0.9364 0.5578 0.2361
27 9 0.6392 0.8608 0.1392
28 1 0.2485 0.7515 0.2515
29 2 0.3748 0.6252 0.1252
30 3 0.8708 0.1235 0.1192
31 4 0.736 0.264 0.764
32 5 0.9908 0.0092 0.5092
33 6 0.572 0.5892 0.2696
34 7 0.5024 0.4966 0.7205
35 8 0.5636 0.4422 0.7361
36 9 0.8608 0.1392 0.6392
37 3 0.3765 0.8808 0.3708
38 3 0.8808 0.3708 0.3765
39 6 0.9108 0.7304 0.072
40 6 0.7304 0.072 0.9108
41 7 0.0034 0.2795 0.0024
42 7 0.2795 0.0024 0.0034
43 8 0.0578 0.2639 0.0636
44 8 0.2639 0.0636 0.0578
45 3 0.6235 0.3808 0.1292
46 3 0.3808 0.1292 0.6235
47 6 0.0892 0.2304 0.428
48 6 0.2304 0.428 0.0892
49 7 0.9966 0.7795 0.4976
50 7 0.7795 0.4976 0.9966
51 8 0.9422 0.7639 0.4364
52 8 0.7639 0.4364 0.9422
53 3 0.8765 0.6192 0.6292
54 3 0.6192 0.6292 0.8765
55 6 0.4108 0.7696 0.928
56 6 0.7696 0.928 0.4108
57 7 0.5034 0.2205 0.9976
58 7 0.2205 0.9976 0.5034
59 8 0.5578 0.2361 0.9364
60 8 0.2361 0.9364 0.5578
61 3 0.1235 0.1192 0.8708
62 3 0.1192 0.8708 0.1235
63 6 0.5892 0.2696 0.572
64 6 0.2696 0.572 0.5892
65 7 0.4966 0.7205 0.5024
66 7 0.7205 0.5024 0.4966
67 8 0.4422 0.7361 0.5636
68 8 0.7361 0.5636 0.4422
X-ray density (g/cm cub.) = 6.11
MU (1/cm) = 444.453 Mass attenuation coefficient (cm**2/g) = 72.8
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 P 2.916 4
2.2107 2
2.199 3
2.199 3
2.199 3
2 Se 4.632 12
4.3243 4
4.108 5
3.5828 3
4.3243 4
4.108 5
3.5253 3
4.3243 4
4.108 5
3.5828 3
3.5828 3
3.5253 3
3.5253 3
3 Se 4.632 12
4.094 4
4.2838 5
4.3189 4
4.049 5
3.5828 2
4.3403 5
3.5253 2
4.0392 4
3.5823 3
3.6082 3
3.5823 3
3.6082 3
4 Se 4.632 16
4.094 3
4.4606 5
4.3243 2
4.3189 3
4.3618 5
4.3243 2
4.3618 5
4.3243 2
4.0392 3
4.3618 5
4.094 3
4.094 3
4.3189 3
4.3189 3
4.0392 3
4.0392 3
5 Se 4.632 16
4.2838 3
4.4606 4
4.108 2
4.049 3
4.3618 4
4.108 2
4.3403 3
4.3618 4
4.108 2
4.3618 4
4.2838 3
4.2838 3
4.049 3
4.049 3
4.3403 3
4.3403 3
6 Cu 3.492 4
2.4973 2
2.4436 4
2.5811 5
2.5926 3
7 Cu ,Cu 3.492 4
3.3612 4
2.423 3
2.3256 5
2.3822 3
8 Cu ,Cu 3.492 4
2.5222 4
2.5259 3
2.6327 5
2.4293 3
9 Cu 3.492 2
2.1848 4
2.2758 5
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 6.187 12.374 0.07 169.23 12 13.1 32.6
2 1 1 1 7.585 15.169 0.086 111.85 8 55.1 254.9
3 2 0 0 8.767 17.533 0.099 83.16 6 31.4 46.1
4 1 2 0 9.811 19.622 0.111 65.96 12 5.8 2.5
5 2 1 0 9.811 19.622 0.111 65.96 12 27.8 57.2
6 1 1 2 10.758 21.516 0.121 54.5 24 12.1 18.0
7 2 2 0 12.447 24.894 0.14 40.18 12 115.9 606.9
8 2 2 1 13.216 26.431 0.148 35.41 24 94.5 712.0
9 1 3 0 13.944 27.889 0.156 31.6 12 75.5 202.4
10 3 1 0 13.944 27.889 0.156 31.6 12 69.2 170.1
11 1 1 3 14.64 29.28 0.164 28.49 24 214.6 2951.4
12 2 2 2 15.306 30.613 0.171 25.9 8 679.1 8958.1
13 2 3 0 15.948 31.896 0.178 23.71 12 193.6 999.3
14 3 2 0 15.948 31.896 0.178 23.71 12 88.4 208.6
15 1 2 3 16.567 33.134 0.185 21.83 24 166.1 1354.7
16 3 2 1 16.567 33.134 0.185 21.83 24 82.6 335.1
17 4 0 0 17.747 35.495 0.198 18.79 6 54.9 31.9
18 1 4 0 18.313 36.625 0.204 17.54 12 10.4 2.1
19 2 2 3 18.313 36.625 0.204 17.54 24 27.8 30.4
20 4 1 0 18.313 36.625 0.204 17.54 12 43.1 36.7
21 1 1 4 18.863 37.726 0.21 16.43 24 205.0 1554.8
22 3 3 0 18.863 37.726 0.21 16.43 12 25.4 11.9
23 3 3 1 19.401 38.801 0.216 15.44 24 87.9 268.4
24 2 4 0 19.926 39.851 0.221 14.56 12 69.4 78.8
25 4 2 0 19.926 39.851 0.221 14.56 12 135.3 299.8
26 1 2 4 20.439 40.879 0.227 13.75 24 163.1 822.9
27 4 2 1 20.439 40.879 0.227 13.75 24 84.4 220.2
28 3 3 2 20.943 41.885 0.232 13.03 24 147.6 638.4
29 2 2 4 21.921 43.842 0.242 11.76 24 227.5 1368.8
30 3 4 0 22.397 44.794 0.247 11.2 12 128.7 208.9
31 4 3 0 22.397 44.794 0.247 11.2 12 143.9 261.0
32 1 3 4 22.866 45.731 0.252 10.69 24 101.1 245.8
33 1 5 0 22.866 45.731 0.252 10.69 12 150.1 270.9
34 4 3 1 22.866 45.731 0.252 10.69 24 49.8 59.7
35 5 1 0 22.866 45.731 0.252 10.69 12 132.2 210.3
36 1 1 5 23.327 46.653 0.257 10.22 24 385.9 3423.9
37 3 3 3 23.327 46.653 0.257 10.22 8 486.3 1812.4
38 2 3 4 24.228 48.457 0.266 9.38 24 79.6 133.7
39 2 5 0 24.228 48.457 0.266 9.38 12 197.5 411.4
40 4 3 2 24.228 48.457 0.266 9.38 24 66.3 92.7
41 5 2 0 24.228 48.457 0.266 9.38 12 38.3 15.5
42 1 2 5 24.67 49.34 0.271 9.0 24 129.2 338.2
43 5 2 1 24.67 49.34 0.271 9.0 24 111.7 252.5
44 4 4 0 25.536 51.072 0.28 8.32 12 739.1 5112.2
45 2 2 5 25.961 51.923 0.284 8.01 24 96.2 166.7
46 4 4 1 25.961 51.923 0.284 8.01 24 89.3 143.7
47 3 3 4 26.382 52.763 0.288 7.72 24 69.4 83.7
48 3 5 0 26.382 52.763 0.288 7.72 12 183.6 292.9
49 5 3 0 26.382 52.763 0.288 7.72 12 97.5 82.7
50 1 3 5 26.797 53.595 0.293 7.45 24 103.7 180.4
51 5 3 1 26.797 53.595 0.293 7.45 24 166.3 463.8
52 4 4 2 27.209 54.417 0.297 7.2 24 69.9 79.1
53 6 0 0 27.209 54.417 0.297 7.2 6 186.4 140.7
54 1 6 0 27.616 55.231 0.301 6.96 12 14.5 1.7
55 6 1 0 27.616 55.231 0.301 6.96 12 113.9 101.7
56 1 1 6 28.019 56.037 0.305 6.74 24 89.0 120.0
57 2 3 5 28.019 56.037 0.305 6.74 24 93.3 132.0
58 5 3 2 28.019 56.037 0.305 6.74 24 32.6 16.1
59 2 6 0 28.814 57.627 0.313 6.32 12 152.5 165.5
60 6 2 0 28.814 57.627 0.313 6.32 12 156.9 175.2
61 1 2 6 29.206 58.412 0.317 6.13 24 46.6 30.0
62 4 4 3 29.206 58.412 0.317 6.13 24 42.4 24.8
63 4 5 0 29.206 58.412 0.317 6.13 12 3.4 0.1
64 5 4 0 29.206 58.412 0.317 6.13 12 43.1 12.8
65 6 2 1 29.206 58.412 0.317 6.13 24 92.3 117.5
66 1 4 5 29.595 59.19 0.321 5.95 24 84.6 95.8
67 5 4 1 29.595 59.19 0.321 5.95 24 12.6 2.1
68 3 3 5 29.981 59.962 0.324 5.78 24 199.3 516.9
69 2 2 6 30.364 60.727 0.328 5.62 24 362.3 1659.7
70 2 4 5 30.744 61.487 0.332 5.47 24 95.1 111.2
71 3 6 0 30.744 61.487 0.332 5.47 12 62.0 23.7
72 5 4 2 30.744 61.487 0.332 5.47 24 103.2 131.1
73 6 3 0 30.744 61.487 0.332 5.47 12 11.2 0.8
74 1 3 6 31.121 62.242 0.335 5.32 24 129.2 199.8
75 6 3 1 31.121 62.242 0.335 5.32 24 190.5 434.6
76 4 4 4 31.868 63.736 0.343 5.05 8 129.5 63.6
77 2 3 6 32.238 64.476 0.346 4.93 24 107.5 128.1
78 6 3 2 32.238 64.476 0.346 4.93 24 76.2 64.4
79 1 7 0 32.605 65.211 0.35 4.81 12 69.5 26.1
80 3 4 5 32.605 65.211 0.35 4.81 24 100.7 109.7
81 5 4 3 32.605 65.211 0.35 4.81 24 146.2 231.1
82 5 5 0 32.605 65.211 0.35 4.81 12 23.9 3.1
83 7 1 0 32.605 65.211 0.35 4.81 12 37.0 7.4
84 1 1 7 32.971 65.942 0.353 4.69 24 122.2 157.8
85 5 5 1 32.971 65.942 0.353 4.69 24 71.5 54.0
86 4 6 0 33.334 66.668 0.357 4.59 12 12.3 0.8
87 6 4 0 33.334 66.668 0.357 4.59 12 8.8 0.4
88 1 4 6 33.696 67.391 0.36 4.48 24 100.9 102.6
89 2 7 0 33.696 67.391 0.36 4.48 12 33.8 5.8
90 6 4 1 33.696 67.391 0.36 4.48 24 45.3 20.7
91 7 2 0 33.696 67.391 0.36 4.48 12 180.8 164.8
92 1 2 7 34.055 68.11 0.363 4.38 24 103.7 106.2
93 3 3 6 34.055 68.11 0.363 4.38 24 68.2 45.9
94 5 5 2 34.055 68.11 0.363 4.38 24 97.3 93.5
95 7 2 1 34.055 68.11 0.363 4.38 24 134.7 179.1
96 2 4 6 34.769 69.538 0.37 4.2 24 115.3 125.7
97 6 4 2 34.769 69.538 0.37 4.2 24 102.4 99.0
98 2 2 7 35.123 70.246 0.373 4.12 24 87.9 71.6
99 4 4 5 35.123 70.246 0.373 4.12 24 92.2 78.8
100 3 7 0 35.476 70.952 0.377 4.03 12 196.2 174.7
101 7 3 0 35.476 70.952 0.377 4.03 12 21.4 2.1
102 1 3 7 35.827 71.654 0.38 3.96 24 122.6 133.7
103 5 5 3 35.827 71.654 0.38 3.96 24 216.8 418.5
104 7 3 1 35.827 71.654 0.38 3.96 24 154.1 211.3
105 3 4 6 36.525 73.051 0.386 3.81 24 114.3 112.0
106 5 6 0 36.525 73.051 0.386 3.81 12 80.6 27.9
107 6 4 3 36.525 73.051 0.386 3.81 24 132.0 149.5
108 6 5 0 36.525 73.051 0.386 3.81 12 6.7 0.2
109 1 5 6 36.873 73.745 0.389 3.74 24 26.7 6.0
110 2 3 7 36.873 73.745 0.389 3.74 24 69.9 41.1
111 6 5 1 36.873 73.745 0.389 3.74 24 59.4 29.8
112 7 3 2 36.873 73.745 0.389 3.74 24 57.1 27.4
113 8 0 0 37.563 75.127 0.396 3.62 6 555.7 628.5
114 1 8 0 37.907 75.814 0.399 3.56 12 119.5 57.2
115 2 5 6 37.907 75.814 0.399 3.56 24 100.0 80.1
116 4 7 0 37.907 75.814 0.399 3.56 12 21.1 1.8
117 6 5 2 37.907 75.814 0.399 3.56 24 31.0 7.7
118 7 4 0 37.907 75.814 0.399 3.56 12 181.5 131.9
119 8 1 0 37.907 75.814 0.399 3.56 12 142.8 81.6
120 1 1 8 38.25 76.5 0.402 3.5 24 75.6 45.1
121 1 4 7 38.25 76.5 0.402 3.5 24 55.2 24.0
122 5 5 4 38.25 76.5 0.402 3.5 24 53.1 22.3
123 7 4 1 38.25 76.5 0.402 3.5 24 13.5 1.4
124 3 3 7 38.592 77.183 0.405 3.45 24 85.8 57.1
125 2 8 0 38.932 77.865 0.408 3.4 12 69.0 18.2
126 4 4 6 38.932 77.865 0.408 3.4 24 95.6 69.9
127 8 2 0 38.932 77.865 0.408 3.4 12 10.6 0.4
128 1 2 8 39.272 78.545 0.411 3.35 24 10.0 0.8
129 2 4 7 39.272 78.545 0.411 3.35 24 139.9 147.6
130 7 4 2 39.272 78.545 0.411 3.35 24 66.6 33.4
131 8 2 1 39.272 78.545 0.411 3.35 24 114.8 99.4
132 3 5 6 39.611 79.223 0.414 3.3 24 56.6 23.8
133 6 5 3 39.611 79.223 0.414 3.3 24 30.7 7.0
134 2 2 8 40.287 80.575 0.42 3.22 24 161.1 188.0
135 6 6 0 40.287 80.575 0.42 3.22 12 369.8 495.4
136 3 8 0 40.624 81.249 0.423 3.18 12 112.4 45.2
137 6 6 1 40.624 81.249 0.423 3.18 24 100.0 71.6
138 8 3 0 40.624 81.249 0.423 3.18 12 57.2 11.7
139 1 3 8 40.961 81.921 0.426 3.14 24 79.1 44.3
140 3 4 7 40.961 81.921 0.426 3.14 24 114.1 92.0
141 5 7 0 40.961 81.921 0.426 3.14 12 33.7 4.0
142 7 4 3 40.961 81.921 0.426 3.14 24 15.6 1.7
143 7 5 0 40.961 81.921 0.426 3.14 12 110.3 43.0
144 8 3 1 40.961 81.921 0.426 3.14 24 28.8 5.9
145 1 5 7 41.296 82.593 0.428 3.11 24 230.5 371.3
146 5 5 5 41.296 82.593 0.428 3.11 8 388.8 352.3
147 7 5 1 41.296 82.593 0.428 3.11 24 224.9 353.7
148 6 6 2 41.632 83.263 0.431 3.07 24 375.5 974.8
149 2 3 8 41.967 83.933 0.434 3.04 24 59.1 23.9
150 4 5 6 41.967 83.933 0.434 3.04 24 28.2 5.5
151 6 5 4 41.967 83.933 0.434 3.04 24 88.9 54.1
152 8 3 2 41.967 83.933 0.434 3.04 24 89.4 54.7
153 2 5 7 42.301 84.602 0.437 3.01 24 115.3 90.1
154 7 5 2 42.301 84.602 0.437 3.01 24 103.0 71.9
155 4 8 0 42.969 85.937 0.442 2.96 12 195.0 126.5
156 8 4 0 42.969 85.937 0.442 2.96 12 112.3 41.9
157 1 4 8 43.302 86.604 0.445 2.93 24 69.7 32.0
158 4 4 7 43.302 86.604 0.445 2.93 24 103.1 70.2
159 6 6 3 43.302 86.604 0.445 2.93 24 19.4 2.5
160 8 4 1 43.302 86.604 0.445 2.93 24 169.5 189.5
161 1 9 0 43.635 87.271 0.448 2.91 12 138.9 63.1
162 3 3 8 43.635 87.271 0.448 2.91 24 35.5 8.3
163 9 1 0 43.635 87.271 0.448 2.91 12 172.5 97.3
164 1 1 9 43.968 87.937 0.451 2.89 24 112.7 82.5
165 3 5 7 43.968 87.937 0.451 2.89 24 94.5 58.0
166 7 5 3 43.968 87.937 0.451 2.89 24 178.7 207.5
167 2 4 8 44.301 88.602 0.453 2.87 24 93.1 55.9
168 8 4 2 44.301 88.602 0.453 2.87 24 94.3 57.4
169 2 9 0 44.634 89.268 0.456 2.85 12 13.0 0.5
170 6 7 0 44.634 89.268 0.456 2.85 12 14.2 0.6
171 7 6 0 44.634 89.268 0.456 2.85 12 126.3 51.1
172 9 2 0 44.634 89.268 0.456 2.85 12 48.6 7.6
173 1 2 9 44.967 89.933 0.459 2.83 24 19.2 2.3
174 1 6 7 44.967 89.933 0.459 2.83 24 78.3 39.0
175 5 5 6 44.967 89.933 0.459 2.83 24 34.1 7.4
176 7 6 1 44.967 89.933 0.459 2.83 24 59.7 22.7
177 9 2 1 44.967 89.933 0.459 2.83 24 42.0 11.2
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 1 7.585 15.169 5.83586 254.9 2.8 2.9 5.6
2 2 2 0 12.447 24.894 3.57372 606.9 6.8 6.8 5.6
3 2 2 1 13.216 26.431 3.36933 712.0 7.9 8.0 5.6
4 1 3 0 13.944 27.889 3.19643 372.5 4.2 4.2 5.6
5 1 1 3 14.64 29.28 3.04768 2951.4 32.9 33.0 5.6
6 2 2 2 15.306 30.613 2.91793 8958.1 100.0 100.0 5.6
7 2 3 0 15.948 31.896 2.80345 1207.9 13.5 13.5 5.6
8 1 2 3 16.567 33.134 2.70148 1689.8 18.9 18.8 5.6
9 1 1 4 18.863 37.726 2.38248 1566.7 17.5 17.4 5.7
10 3 3 1 19.401 38.801 2.31893 268.4 3.0 3.0 5.7
11 4 2 0 19.926 39.851 2.26022 378.6 4.2 4.2 5.7
12 1 2 4 20.439 40.879 2.20575 1043.1 11.6 11.5 5.7
13 3 3 2 20.943 41.885 2.15503 638.4 7.1 7.1 5.7
14 2 2 4 21.921 43.842 2.06329 1368.8 15.3 15.1 5.7
15 4 3 0 22.397 44.794 2.0216 469.9 5.2 5.2 5.7
16 1 5 0 22.866 45.731 1.98234 786.7 8.8 8.7 5.7
17 1 1 5 23.327 46.653 1.94529 5236.4 58.5 57.5 5.7
18 2 5 0 24.228 48.457 1.87701 653.2 7.3 7.2 5.7
19 1 2 5 24.67 49.34 1.84546 590.7 6.6 6.5 5.7
20 4 4 0 25.536 51.072 1.78686 5112.2 57.1 55.9 5.8
21 2 2 5 25.961 51.923 1.75958 310.4 3.5 3.4 5.8
22 3 5 0 26.382 52.763 1.73351 459.3 5.1 5.0 5.8
23 5 3 1 26.797 53.595 1.70856 644.2 7.2 7.0 5.8
24 6 0 0 27.209 54.417 1.68467 219.8 2.5 2.4 5.8
25 6 1 0 27.616 55.231 1.66174 103.3 1.2 1.1 5.8
26 2 3 5 28.019 56.037 1.63973 268.0 3.0 2.9 5.8
27 6 2 0 28.814 57.627 1.59822 340.7 3.8 3.7 5.8
28 6 2 1 29.206 58.412 1.5786 185.1 2.1 2.0 5.8
29 1 4 5 29.595 59.19 1.5597 97.9 1.1 1.1 5.8
30 3 3 5 29.981 59.962 1.54146 516.9 5.8 5.6 5.8
31 2 2 6 30.364 60.727 1.52384 1659.7 18.5 17.9 5.8
32 5 4 2 30.744 61.487 1.50681 266.8 3.0 2.9 5.8
33 6 3 1 31.121 62.242 1.49034 634.5 7.1 6.8 5.8
34 2 3 6 32.238 64.476 1.444 192.5 2.1 2.1 5.9
35 5 4 3 32.605 65.211 1.42949 377.4 4.2 4.0 5.9
36 1 1 7 32.971 65.942 1.4154 211.7 2.4 2.3 5.9
37 7 2 0 33.696 67.391 1.38844 293.9 3.3 3.1 5.9
38 7 2 1 34.055 68.11 1.37552 424.6 4.7 4.5 5.9
39 2 4 6 34.769 69.538 1.35074 224.8 2.5 2.4 5.9
40 4 4 5 35.123 70.246 1.33884 150.4 1.7 1.6 5.9
41 3 7 0 35.476 70.952 1.32725 176.8 2.0 1.9 5.9
42 7 3 1 35.827 71.654 1.31595 763.6 8.5 8.1 5.9
43 6 4 3 36.525 73.051 1.2942 289.6 3.2 3.1 6.0
44 7 3 2 36.873 73.745 1.28372 104.3 1.2 1.1 6.0
45 8 0 0 37.563 75.127 1.2635 628.5 7.0 6.6 6.0
46 8 1 0 37.907 75.814 1.25374 360.3 4.0 3.8 6.0
47 1 1 8 38.25 76.5 1.24421 92.8 1.0 1.0 6.0
48 2 4 7 39.272 78.545 1.21686 280.5 3.1 2.9 6.0
49 6 6 0 40.287 80.575 1.19124 683.4 7.6 7.1 6.1
50 6 6 1 40.624 81.249 1.18305 128.4 1.4 1.3 6.1
51 3 4 7 40.961 81.921 1.17503 190.9 2.1 2.0 6.1
52 1 5 7 41.296 82.593 1.16717 1077.3 12.0 11.2 6.1
53 6 6 2 41.632 83.263 1.15947 974.8 10.9 10.1 6.1
54 8 3 2 41.967 83.933 1.15191 138.2 1.5 1.4 6.1
55 2 5 7 42.301 84.602 1.14451 162.0 1.8 1.7 6.1
56 4 8 0 42.969 85.937 1.13011 168.5 1.9 1.7 6.1
57 8 4 1 43.302 86.604 1.12311 294.2 3.3 3.0 6.1
58 9 1 0 43.635 87.271 1.11624 168.7 1.9 1.7 6.2
59 7 5 3 43.968 87.937 1.1095 347.9 3.9 3.6 6.2
60 8 4 2 44.301 88.602 1.10287 113.3 1.3 1.2 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)
|