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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GOBELINITE
2, t-ktenasite, f-ktenasite
CoCu(4)[SO(4)](2)(OH)(6).6H(2)O
Monoclinic P 2(1)/c Z = 2
R =0.0289 NR =1998
18 .10 .24
Ref.Str.:
Mills S.J., Kolitsch U., Favreau G., Birch W.D., Galea-Clolus V.,
Henrich J.M. (2020) * Eur. J. Mineral., 32, 637–644
https://doi.org/10.5194/ejm-32-637-2020
L: $Co0.92 Ni0.21 Mg0.01 Cu3.79 S2.08 O20 H18$
R: Locality - Eisenzecher Zug, Siegerland, North Rhine-Westphalia, Germany.
IMA2018-167. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.611 alpha = 90.0
b = 6.103 beta = 95.18
c = 23.808 gamma = 90.0
Unit cell volume (cub. angs.) = 811.95
Molar volume ( cub.cm/mol.) = 244.53
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Co = 0.92, Ni = 0.08
2 0.9922 0.1003 0.249 0.0 Cu = 0.95, Zn = 0.05
3 0.499 0.8496 0.2474 0.0 Cu = 0.95, Zn = 0.05
4 0.3647 0.0578 0.374 0.0 S = 1.00
5 0.3383 0.0963 0.3121 0.0 O = 1.00
6 0.6051 0.1045 0.2094 0.0 O = 1.00
7 0.8418 0.3545 0.2884 0.0 O = 1.00
8 0.1613 0.3469 0.2153 0.0 O = 1.00
9 0.1314 0.994 0.3922 0.0 O = 1.00
10 0.4473 0.2624 0.4023 0.0 O = 1.00
11 0.5423 0.8839 0.3864 0.0 O = 1.00
12 0.9149 0.0606 0.0826 0.0 O = 1.00
13 0.3248 0.1595 0.0178 0.0 O = 1.00
14 0.1401 0.7019 0.0286 0.0 O = 1.00
15 0.562 0.121 0.1802 0.0 H = 1.00
16 0.863 0.359 0.3206 0.0 H = 1.00
17 0.153 0.361 0.1842 0.0 H = 1.00
18 0.895 0.19 0.0889 0.0 H = 1.00
19 0.8 0.98 0.0898 0.0 H = 1.00
20 0.421 0.184 0.993 0.0 H = 1.00
21 0.361 0.231 0.0461 0.0 H = 1.00
22 0.032 0.632 0.0424 0.0 H = 1.00
23 0.259 0.716 0.0478 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.9922 0.1003 0.249
3 3 0.499 0.8496 0.2474
4 4 0.3647 0.0578 0.374
5 5 0.3383 0.0963 0.3121
6 6 0.6051 0.1045 0.2094
7 7 0.8418 0.3545 0.2884
8 8 0.1613 0.3469 0.2153
9 9 0.1314 0.994 0.3922
10 10 0.4473 0.2624 0.4023
11 11 0.5423 0.8839 0.3864
12 12 0.9149 0.0606 0.0826
13 13 0.3248 0.1595 0.0178
14 14 0.1401 0.7019 0.0286
15 15 0.562 0.121 0.1802
16 16 0.863 0.359 0.3206
17 17 0.153 0.361 0.1842
18 18 0.895 0.19 0.0889
19 19 0.8 0.98 0.0898
20 20 0.421 0.184 0.993
21 21 0.361 0.231 0.0461
22 22 0.032 0.632 0.0424
23 23 0.259 0.716 0.0478
24 1 0.0 0.5 0.5
25 2 0.0078 0.6003 0.251
26 3 0.501 0.3496 0.2526
27 4 0.6353 0.5578 0.126
28 5 0.6617 0.5963 0.1879
29 6 0.3949 0.6045 0.2906
30 7 0.1582 0.8545 0.2116
31 8 0.8387 0.8469 0.2847
32 9 0.8686 0.494 0.1078
33 10 0.5527 0.7624 0.0977
34 11 0.4577 0.3839 0.1136
35 12 0.0851 0.5606 0.4174
36 13 0.6752 0.6595 0.4822
37 14 0.8599 0.2019 0.4714
38 15 0.438 0.621 0.3198
39 16 0.137 0.859 0.1794
40 17 0.847 0.861 0.3158
41 18 0.105 0.69 0.4111
42 19 0.2 0.48 0.4102
43 20 0.579 0.684 0.507
44 21 0.639 0.731 0.4539
45 22 0.968 0.132 0.4576
46 23 0.741 0.216 0.4522
47 2 0.9922 0.3997 0.749
48 3 0.499 0.6504 0.7474
49 4 0.3647 0.4422 0.874
50 5 0.3383 0.4037 0.8121
51 6 0.6051 0.3955 0.7094
52 7 0.8418 0.1455 0.7884
53 8 0.1613 0.1531 0.7153
54 9 0.1314 0.506 0.8922
55 10 0.4473 0.2376 0.9023
56 11 0.5423 0.6161 0.8864
57 12 0.9149 0.4394 0.5826
58 13 0.3248 0.3405 0.5178
59 14 0.1401 0.7981 0.5286
60 15 0.562 0.379 0.6802
61 16 0.863 0.141 0.8206
62 17 0.153 0.139 0.6842
63 18 0.895 0.31 0.5889
64 19 0.8 0.52 0.5898
65 20 0.421 0.316 0.493
66 21 0.361 0.269 0.5461
67 22 0.032 0.868 0.5424
68 23 0.259 0.784 0.5478
69 2 0.0078 0.8997 0.751
70 3 0.501 0.1504 0.7526
71 4 0.6353 0.9422 0.626
72 5 0.6617 0.9037 0.6879
73 6 0.3949 0.8955 0.7906
74 7 0.1582 0.6455 0.7116
75 8 0.8387 0.6531 0.7847
76 9 0.8686 0.006 0.6078
77 10 0.5527 0.7376 0.5977
78 11 0.4577 0.1161 0.6136
79 12 0.0851 0.9394 0.9174
80 13 0.6752 0.8405 0.9822
81 14 0.8599 0.2981 0.9714
82 15 0.438 0.879 0.8198
83 16 0.137 0.641 0.6794
84 17 0.847 0.639 0.8158
85 18 0.105 0.81 0.9111
86 19 0.2 0.02 0.9102
87 20 0.579 0.816 0.007
88 21 0.639 0.769 0.9539
89 22 0.968 0.368 0.9576
90 23 0.741 0.284 0.9522
X-ray density (g/cm cub.) = 2.93
MU (1/cm) = 154.449 Mass attenuation coefficient (cm**2/g) = 52.776
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Co ,Ni 2.568 6
2.098 12
2.0758 13
2.0725 14
2.098 12
2.0758 13
2.0725 14
2 Cu ,Zn 2.808 6
2.3466 5
2.2885 6
2.0354 7
1.9864 8
2.0143 7
1.9981 8
3 Cu ,Zn 2.808 6
2.3882 5
1.9214 6
2.338 5
1.9358 6
2.0223 7
2.029 8
4 S 1.98 4
1.4851 5
1.4684 9
1.4743 10
1.4677 11
5 O 3.264 10
2.9817 6
3.2061 7
2.8688 8
2.4029 9
2.4032 10
2.3988 11
3.1641 6
3.066 6
2.9133 7
3.2047 8
6 O 3.264 8
2.9817 5
2.6795 7
2.9107 8
3.066 5
3.1641 5
2.9399 7
2.643 8
2.9071 11
7 O 3.264 7
3.2061 5
2.6795 6
2.6096 8
2.9133 5
2.9399 6
3.0064 8
3.0991 8
8 O 3.264 9
2.8688 5
2.9107 6
2.6096 7
3.2047 5
2.643 6
3.0991 7
3.0064 7
3.0483 9
3.0666 11
9 O 3.264 6
2.4029 5
2.4095 10
2.4174 11
3.0483 8
2.7297 12
2.8288 14
10 O 3.264 6
2.4032 5
2.4095 9
2.4083 11
2.7755 12
2.7411 14
2.9328 13
11 O 3.264 7
2.3988 5
2.4174 9
2.4083 10
2.9071 6
3.0666 8
2.7064 13
3.2224 14
12 O 3.264 6
2.9453 13
2.887 14
2.7297 9
2.7755 10
2.9574 13
3.0098 14
13 O 3.264 7
2.9453 12
2.998 14
2.7064 11
2.9328 10
2.9574 12
2.9453 13
2.8671 14
14 O 3.264 8
2.887 12
2.998 13
2.8288 9
2.7411 10
3.2224 11
3.0098 12
2.8671 13
3.1645 14
15 H 1.632 1
0.7213 6
16 H 1.632 1
0.7661 7
17 H 1.632 1
0.7417 8
18 H 1.632 1
0.8134 12
19 H 1.632 1
0.8408 12
20 H 1.632 1
0.8485 13
21 H 1.632 1
0.813 13
22 H 1.632 1
0.8328 14
23 H 1.632 1
0.7786 14
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 0 0 2 4.327 8.654 0.042 348.37 2 176.3 3284.1
2 0 0 4 8.679 17.358 0.084 84.9 2 225.9 1314.7
3 0 1 1 8.704 17.409 0.085 84.39 4 8.5 3.7
4 1 0 0 9.211 18.421 0.089 75.13 2 2.2 0.1
5 0 1 2 9.488 18.976 0.092 70.68 4 25.6 28.1
6 1 0 -2 9.828 19.655 0.095 65.73 2 6.5 0.9
7 1 0 2 10.545 21.091 0.102 56.81 2 126.1 273.9
8 0 1 3 10.671 21.342 0.104 55.43 4 114.9 443.9
9 1 0 -4 12.112 24.225 0.117 42.55 2 106.1 145.4
10 0 1 4 12.143 24.286 0.118 42.32 4 6.5 1.1
11 1 1 0 12.535 25.069 0.121 39.59 4 21.0 10.6
12 1 1 -1 12.579 25.159 0.122 39.3 4 103.2 253.7
13 1 1 1 12.87 25.74 0.125 37.45 4 46.9 49.9
14 1 1 -2 13.001 26.003 0.126 36.66 4 16.2 5.9
15 0 0 6 13.082 26.164 0.127 36.18 2 199.2 435.5
16 1 0 4 13.278 26.556 0.128 35.06 2 103.6 114.2
17 1 1 2 13.56 27.12 0.131 33.54 4 24.1 11.9
18 1 1 -3 13.768 27.536 0.133 32.47 4 40.8 32.8
19 0 1 5 13.82 27.639 0.134 32.21 4 116.9 267.1
20 1 1 3 14.558 29.116 0.141 28.83 4 16.1 4.5
21 1 1 -4 14.83 29.659 0.143 27.72 4 23.4 9.2
22 1 0 -6 15.376 30.753 0.148 25.64 2 125.1 121.8
23 0 1 6 15.643 31.287 0.151 24.71 4 4.4 0.3
24 1 1 4 15.81 31.621 0.152 24.15 4 22.5 7.4
25 1 1 -5 16.135 32.269 0.155 23.12 4 58.7 48.4
26 1 0 6 16.785 33.57 0.161 21.22 2 75.8 37.0
27 0 2 0 17.045 34.09 0.164 20.52 2 63.3 25.0
28 0 2 1 17.19 34.38 0.165 20.15 4 15.2 2.8
29 1 1 5 17.27 34.539 0.166 19.95 4 38.6 18.1
30 0 0 8 17.565 35.13 0.169 19.22 2 286.7 479.3
31 0 1 7 17.578 35.157 0.169 19.19 4 31.4 11.5
32 0 2 2 17.618 35.237 0.169 19.09 4 18.8 4.1
33 1 1 -6 17.636 35.272 0.169 19.05 4 42.7 21.0
34 0 2 3 18.313 36.626 0.176 17.54 4 41.4 18.3
35 2 0 0 18.671 37.342 0.179 16.81 2 248.9 315.9
36 2 0 -2 18.796 37.592 0.18 16.56 2 87.6 38.5
37 1 1 6 18.895 37.791 0.181 16.37 4 13.0 1.7
38 1 0 -8 19.184 38.367 0.184 15.83 2 38.7 7.2
39 0 2 4 19.249 38.499 0.184 15.71 4 38.7 14.2
40 1 1 -7 19.296 38.593 0.185 15.63 4 51.8 25.5
41 1 2 0 19.51 39.021 0.187 15.25 4 110.8 113.6
42 1 2 -1 19.541 39.081 0.187 15.2 4 164.5 249.7
43 2 0 2 19.601 39.202 0.188 15.1 2 199.6 182.5
44 0 1 8 19.603 39.205 0.188 15.09 4 11.5 1.2
45 1 2 1 19.738 39.476 0.189 14.87 4 132.9 159.4
46 1 2 -2 19.828 39.656 0.19 14.72 4 57.2 29.3
47 2 0 -4 19.96 39.92 0.191 14.5 2 93.6 38.6
48 1 2 2 20.216 40.432 0.193 14.09 4 71.0 43.1
49 1 2 -3 20.363 40.725 0.195 13.87 4 232.9 456.6
50 0 2 5 20.4 40.799 0.195 13.81 4 3.2 0.1
51 2 1 -1 20.549 41.098 0.196 13.59 4 18.0 2.7
52 2 1 0 20.615 41.23 0.197 13.49 4 90.4 66.9
53 1 1 7 20.658 41.317 0.197 13.43 4 64.9 34.3
54 2 1 -2 20.73 41.461 0.198 13.33 4 54.9 24.3
55 1 0 8 20.741 41.483 0.198 13.31 2 44.4 8.0
56 2 1 1 20.926 41.853 0.2 13.05 4 72.2 41.3
57 1 2 3 20.931 41.861 0.2 13.04 4 33.6 8.9
58 1 1 -8 21.088 42.176 0.201 12.83 4 68.9 36.9
59 1 2 -4 21.13 42.26 0.202 12.77 4 76.1 44.9
60 2 1 -3 21.154 42.308 0.202 12.74 4 2.2 0.0
61 2 0 4 21.471 42.942 0.205 12.32 2 286.0 305.7
62 2 1 2 21.474 42.949 0.205 12.31 4 42.5 13.5
63 0 1 9 21.703 43.406 0.207 12.02 4 18.1 2.4
64 0 2 6 21.737 43.473 0.207 11.98 4 22.6 3.7
65 2 1 -4 21.808 43.616 0.208 11.89 4 20.3 3.0
66 1 2 4 21.863 43.726 0.208 11.83 4 88.5 56.2
67 2 0 -6 22.025 44.05 0.21 11.63 2 141.2 70.3
68 1 2 -5 22.11 44.22 0.21 11.53 4 216.4 327.7
69 0 0 10 22.163 44.325 0.211 11.47 2 26.0 2.4
70 2 1 3 22.245 44.49 0.212 11.38 4 47.6 15.6
71 1 1 8 22.537 45.074 0.214 11.05 4 26.1 4.6
72 2 1 -5 22.677 45.354 0.216 10.89 4 56.1 20.8
73 1 1 -9 22.991 45.982 0.218 10.56 4 62.4 24.9
74 1 2 5 22.992 45.984 0.218 10.56 4 180.1 207.9
75 2 1 4 23.221 46.442 0.22 10.32 4 0.6 0.0
76 0 2 7 23.236 46.473 0.221 10.31 4 44.2 12.2
77 1 2 -6 23.282 46.564 0.221 10.26 4 67.5 28.4
78 1 0 -10 23.345 46.69 0.222 10.2 2 55.6 9.6
79 2 1 -6 23.743 47.485 0.225 9.82 4 2.5 0.0
80 0 1 10 23.873 47.746 0.226 9.7 4 5.8 0.2
81 2 0 6 24.105 48.21 0.228 9.48 2 254.3 186.1
82 1 2 6 24.298 48.595 0.23 9.31 4 53.9 16.4
83 2 1 5 24.384 48.768 0.231 9.24 4 52.8 15.6
84 1 1 9 24.516 49.032 0.232 9.13 4 16.9 1.6
85 1 2 -7 24.626 49.253 0.233 9.03 4 269.8 399.1
86 2 0 -8 24.813 49.626 0.235 8.88 2 229.7 142.1
87 0 2 8 24.879 49.759 0.235 8.83 4 61.2 20.1
88 2 1 -7 24.987 49.974 0.236 8.74 4 6.7 0.2
89 1 1 -10 24.993 49.985 0.236 8.74 4 37.4 7.4
90 1 0 10 25.017 50.034 0.236 8.72 2 22.0 1.3
91 2 2 -1 25.67 51.339 0.242 8.22 4 10.8 0.6
92 2 1 6 25.716 51.432 0.243 8.19 4 10.0 0.5
93 2 2 0 25.725 51.45 0.243 8.18 4 37.1 6.8
94 1 2 7 25.762 51.524 0.243 8.15 4 158.1 123.7
95 2 2 -2 25.823 51.645 0.243 8.11 4 29.0 4.1
96 2 2 1 25.988 51.977 0.245 7.99 4 14.0 0.9
97 0 1 11 26.109 52.218 0.246 7.91 4 54.3 14.1
98 1 2 -8 26.125 52.251 0.246 7.9 4 94.3 42.6
99 2 2 -3 26.181 52.363 0.247 7.86 4 5.4 0.1
100 0 3 1 26.187 52.373 0.247 7.86 4 16.4 1.3
101 2 1 -8 26.392 52.785 0.248 7.72 4 34.5 5.6
102 2 2 2 26.454 52.909 0.249 7.68 4 55.5 14.4
103 0 3 2 26.494 52.989 0.249 7.65 4 13.5 0.8
104 1 1 10 26.587 53.175 0.25 7.59 4 1.0 0.0
105 0 2 9 26.65 53.3 0.251 7.55 4 22.9 2.4
106 2 2 -4 26.74 53.48 0.252 7.49 4 26.8 3.3
107 0 0 12 26.916 53.832 0.253 7.38 2 141.0 44.5
108 0 3 3 27.001 54.003 0.254 7.33 4 57.7 14.8
109 1 1 -11 27.084 54.169 0.255 7.27 4 82.0 29.7
110 2 2 3 27.116 54.233 0.255 7.26 4 60.6 16.2
111 2 1 7 27.201 54.403 0.256 7.2 4 15.5 1.0
112 2 0 8 27.345 54.691 0.257 7.12 2 252.8 138.0
113 1 2 8 27.369 54.738 0.257 7.1 4 87.7 33.2
114 2 2 -5 27.491 54.981 0.258 7.03 4 36.7 5.7
115 0 3 4 27.701 55.402 0.26 6.91 4 43.0 7.8
116 1 2 -9 27.764 55.528 0.26 6.88 4 223.5 208.4
117 1 0 -12 27.796 55.592 0.261 6.86 2 58.0 7.0
118 1 3 0 27.899 55.798 0.262 6.8 4 23.3 2.2
119 1 3 -1 27.922 55.844 0.262 6.79 4 81.6 27.4
120 2 1 -9 27.945 55.89 0.262 6.78 4 8.0 0.3
121 2 2 4 27.965 55.93 0.262 6.76 4 92.3 35.0
122 1 3 1 28.073 56.145 0.263 6.71 4 37.6 5.7
123 1 3 -2 28.141 56.283 0.264 6.67 4 0.7 0.0
124 2 0 -10 28.178 56.356 0.264 6.65 2 77.8 12.2
125 0 1 12 28.413 56.825 0.266 6.53 4 8.6 0.3
126 2 2 -6 28.423 56.846 0.266 6.52 4 30.2 3.6
127 1 3 2 28.441 56.882 0.266 6.51 4 17.1 1.2
128 0 2 10 28.537 57.075 0.267 6.46 4 45.6 8.2
129 1 3 -3 28.554 57.109 0.267 6.45 4 68.7 18.5
130 0 3 5 28.583 57.166 0.267 6.44 4 36.2 5.1
131 3 0 -2 28.64 57.281 0.268 6.41 2 5.8 0.1
132 3 0 0 28.698 57.396 0.268 6.38 2 19.8 0.8
133 1 1 11 28.746 57.492 0.269 6.36 4 5.7 0.1
134 2 1 8 28.827 57.654 0.27 6.32 4 19.4 1.4
135 2 2 5 28.989 57.979 0.271 6.24 4 5.9 0.1
136 1 3 3 28.999 57.997 0.271 6.23 4 33.6 4.3
137 1 2 9 29.107 58.214 0.272 6.18 4 150.0 84.3
138 1 3 -4 29.156 58.311 0.272 6.16 4 23.7 2.1
139 1 1 -12 29.263 58.526 0.273 6.11 4 26.2 2.5
140 3 0 -4 29.352 58.705 0.274 6.06 2 17.5 0.6
141 3 0 2 29.523 59.046 0.275 5.98 2 102.3 19.0
142 2 2 -7 29.526 59.052 0.275 5.98 4 29.8 3.2
143 1 2 -10 29.531 59.062 0.276 5.98 4 37.4 5.1
144 1 0 12 29.577 59.153 0.276 5.96 2 77.7 10.9
145 2 1 -10 29.632 59.265 0.276 5.94 4 4.3 0.1
146 0 3 6 29.638 59.276 0.276 5.93 4 23.6 2.0
147 1 3 4 29.739 59.479 0.277 5.89 4 20.7 1.5
148 1 3 -5 29.938 59.876 0.279 5.8 4 54.7 10.5
149 3 1 -1 30.015 60.029 0.28 5.77 4 24.1 2.0
150 3 1 -2 30.081 60.161 0.28 5.74 4 18.0 1.1
151 3 1 0 30.137 60.273 0.281 5.72 4 5.7 0.1
152 2 2 6 30.18 60.359 0.281 5.7 4 62.3 13.4
153 3 1 -3 30.334 60.668 0.282 5.63 4 85.5 25.0
154 3 1 1 30.445 60.891 0.283 5.59 4 55.0 10.3
155 0 2 11 30.534 61.068 0.284 5.55 4 7.6 0.2
156 2 1 9 30.583 61.166 0.284 5.53 4 72.5 17.6
157 1 3 5 30.655 61.311 0.285 5.5 4 72.9 17.7
158 3 1 -4 30.772 61.544 0.286 5.46 4 61.6 12.6
159 0 1 13 30.787 61.573 0.286 5.45 4 131.9 57.5
160 2 2 -8 30.79 61.58 0.286 5.45 4 60.4 12.1
161 3 0 -6 30.8 61.601 0.286 5.44 2 100.1 16.6
162 0 3 7 30.856 61.712 0.287 5.42 4 26.9 2.4
163 1 3 -6 30.894 61.788 0.287 5.41 4 29.7 2.9
164 3 1 2 30.938 61.875 0.287 5.39 4 8.9 0.3
165 1 2 10 30.967 61.934 0.288 5.38 4 46.3 7.0
166 1 1 12 30.99 61.98 0.288 5.37 4 22.9 1.7
167 3 0 4 31.076 62.153 0.289 5.34 2 34.5 1.9
168 2 0 10 31.087 62.173 0.289 5.33 2 192.3 59.8
169 3 1 -5 31.39 62.779 0.291 5.22 4 0.7 0.0
170 1 2 -11 31.419 62.837 0.291 5.21 4 217.7 149.8
171 2 1 -11 31.446 62.893 0.292 5.2 4 40.5 5.2
172 2 2 7 31.525 63.051 0.292 5.17 4 35.6 4.0
173 1 1 -13 31.527 63.054 0.292 5.17 4 17.7 1.0
174 3 1 3 31.608 63.216 0.293 5.14 4 54.5 9.3
175 1 3 6 31.738 63.476 0.294 5.1 4 31.9 3.1
176 0 0 14 31.879 63.759 0.295 5.05 2 156.6 37.5
177 1 3 -7 32.014 64.029 0.296 5.0 4 3.2 0.0
178 2 0 -12 32.027 64.054 0.296 5.0 2 227.3 78.3
179 3 1 -6 32.182 64.364 0.298 4.94 4 43.0 5.6
180 2 2 -9 32.206 64.412 0.298 4.94 4 19.7 1.2
181 0 3 8 32.228 64.456 0.298 4.93 4 38.7 4.5
182 3 1 4 32.451 64.903 0.3 4.86 4 23.2 1.6
183 2 1 10 32.461 64.923 0.3 4.85 4 21.6 1.4
184 1 0 -14 32.537 65.075 0.301 4.83 2 96.6 13.7
185 0 2 12 32.636 65.272 0.301 4.8 4 19.2 1.1
186 2 3 -1 32.901 65.801 0.304 4.71 4 43.0 5.3
187 3 0 -8 32.929 65.858 0.304 4.71 2 87.3 10.9
188 1 2 11 32.943 65.887 0.304 4.7 4 184.6 97.2
189 2 3 0 32.948 65.896 0.304 4.7 4 42.4 5.1
190 1 3 7 32.979 65.959 0.304 4.69 4 56.3 9.0
191 2 2 8 33.019 66.037 0.305 4.68 4 0.3 0.0
192 2 3 -2 33.032 66.063 0.305 4.68 4 27.8 2.2
193 3 1 -7 33.142 66.285 0.306 4.64 4 27.7 2.2
194 2 3 1 33.174 66.348 0.306 4.63 4 50.5 7.2
195 0 1 14 33.236 66.472 0.306 4.61 4 0.0 0.0
196 1 3 -8 33.292 66.584 0.307 4.6 4 0.8 0.0
197 3 0 6 33.301 66.602 0.307 4.59 2 61.8 5.3
198 1 1 13 33.322 66.644 0.307 4.59 4 27.5 2.1
199 2 3 -3 33.34 66.68 0.307 4.58 4 44.9 5.6
200 2 1 -12 33.381 66.761 0.308 4.57 4 6.1 0.1
201 1 2 -12 33.422 66.844 0.308 4.56 4 116.2 37.3
202 3 1 5 33.461 66.921 0.308 4.55 4 71.7 14.2
203 2 3 2 33.576 67.152 0.309 4.52 4 49.8 6.8
204 0 3 9 33.746 67.492 0.311 4.47 4 13.6 0.5
205 2 2 -10 33.765 67.531 0.311 4.46 4 39.4 4.2
206 2 3 -4 33.824 67.648 0.311 4.45 4 39.6 4.2
207 1 1 -14 33.88 67.761 0.312 4.43 4 28.9 2.2
208 3 2 -1 34.121 68.243 0.314 4.37 4 270.6 194.0
209 2 3 3 34.152 68.303 0.314 4.36 4 43.5 5.0
210 3 2 -2 34.183 68.366 0.314 4.35 4 55.5 8.1
211 3 2 0 34.235 68.47 0.314 4.34 4 126.1 41.8
212 3 1 -8 34.264 68.528 0.315 4.33 4 7.4 0.1
213 1 3 8 34.373 68.745 0.316 4.3 4 37.0 3.6
214 3 2 -3 34.419 68.839 0.316 4.29 4 209.4 114.1
215 1 0 14 34.438 68.876 0.316 4.28 2 9.1 0.1
216 2 1 11 34.459 68.918 0.316 4.28 4 14.5 0.5
217 2 3 -5 34.479 68.959 0.316 4.27 4 46.4 5.6
218 3 2 1 34.524 69.048 0.317 4.26 4 213.0 117.3
219 3 1 6 34.629 69.259 0.318 4.24 4 36.4 3.4
220 2 2 9 34.652 69.305 0.318 4.23 4 20.0 1.0
221 1 3 -9 34.72 69.439 0.318 4.21 4 55.2 7.8
222 3 2 -4 34.829 69.659 0.319 4.19 4 80.4 16.4
223 0 2 13 34.843 69.686 0.319 4.18 4 21.0 1.1
224 2 3 4 34.897 69.793 0.32 4.17 4 43.2 4.7
225 3 2 2 34.985 69.97 0.321 4.15 4 8.4 0.2
226 1 2 12 35.034 70.068 0.321 4.14 4 151.5 57.6
227 2 0 12 35.279 70.558 0.323 4.08 2 234.6 68.1
228 2 3 -6 35.302 70.604 0.323 4.07 4 21.0 1.1
229 0 3 10 35.404 70.808 0.324 4.05 4 6.3 0.1
230 3 2 -5 35.41 70.82 0.324 4.05 4 151.0 56.0
231 2 1 -13 35.433 70.867 0.324 4.04 4 52.9 6.9
232 2 2 -11 35.463 70.927 0.324 4.04 4 4.5 0.0
233 1 2 -13 35.54 71.079 0.325 4.02 4 190.3 88.3
234 3 1 -9 35.541 71.083 0.325 4.02 4 62.7 9.6
235 3 2 3 35.616 71.232 0.326 4.0 4 142.6 49.4
236 3 0 -10 35.68 71.36 0.326 3.99 2 8.1 0.1
237 1 1 14 35.747 71.493 0.327 3.97 4 23.2 1.3
238 0 1 15 35.77 71.539 0.327 3.97 4 11.5 0.3
239 2 3 5 35.807 71.613 0.327 3.96 4 6.1 0.1
240 0 4 0 35.891 71.782 0.328 3.94 2 144.6 25.0
241 1 3 9 35.912 71.823 0.328 3.94 4 32.1 2.5
242 3 1 7 35.952 71.904 0.328 3.93 4 29.8 2.1
243 0 4 1 35.977 71.953 0.328 3.92 4 163.4 63.6
244 3 0 8 36.141 72.282 0.33 3.89 2 4.0 0.0
245 3 2 -6 36.158 72.316 0.33 3.89 4 11.0 0.3
246 0 4 2 36.234 72.467 0.33 3.87 4 221.5 115.2
247 2 3 -7 36.287 72.575 0.331 3.86 4 74.7 13.1
248 1 3 -10 36.292 72.584 0.331 3.86 4 11.6 0.3
249 2 0 -14 36.324 72.648 0.331 3.85 2 212.0 52.5
250 1 1 -15 36.328 72.655 0.331 3.85 4 28.9 1.9
251 3 2 4 36.413 72.826 0.332 3.83 4 82.4 15.8
252 2 2 10 36.422 72.845 0.332 3.83 4 12.3 0.4
253 2 1 12 36.574 73.149 0.333 3.8 4 5.3 0.1
254 0 4 3 36.66 73.32 0.334 3.78 4 100.9 23.4
255 2 3 6 36.877 73.754 0.335 3.74 4 5.2 0.1
256 3 1 -10 36.969 73.939 0.336 3.73 4 12.5 0.4
257 3 2 -7 37.069 74.138 0.337 3.71 4 183.8 76.0
258 0 0 16 37.127 74.254 0.337 3.7 2 187.6 39.4
259 0 2 14 37.159 74.317 0.338 3.69 4 37.1 3.1
260 0 3 11 37.198 74.397 0.338 3.68 4 48.2 5.2
261 1 2 13 37.24 74.48 0.338 3.68 4 217.6 105.6
262 0 4 4 37.254 74.508 0.338 3.67 4 147.9 48.7
263 2 2 -12 37.296 74.593 0.339 3.67 4 6.3 0.1
264 3 2 5 37.372 74.745 0.339 3.65 4 163.3 59.1
265 1 4 0 37.424 74.847 0.34 3.64 4 49.5 5.4
266 3 1 8 37.424 74.849 0.34 3.64 4 14.8 0.5
267 2 3 -8 37.432 74.863 0.34 3.64 4 0.6 0.0
268 1 4 -1 37.443 74.887 0.34 3.64 4 31.3 2.2
269 1 4 1 37.573 75.145 0.341 3.62 4 60.9 8.1
270 1 3 10 37.593 75.185 0.341 3.61 4 3.5 0.0
271 2 1 -14 37.605 75.21 0.341 3.61 4 69.1 10.5
272 1 0 -16 37.612 75.225 0.341 3.61 2 5.9 0.0
273 1 4 -2 37.632 75.264 0.341 3.61 4 17.2 0.6
274 1 2 -14 37.773 75.546 0.342 3.58 4 19.6 0.8
275 1 4 2 37.89 75.78 0.343 3.56 4 59.5 7.7
276 1 4 -3 37.988 75.976 0.344 3.55 4 9.3 0.2
277 1 3 -11 38.006 76.012 0.344 3.54 4 28.1 1.7
278 0 4 5 38.013 76.026 0.344 3.54 4 73.7 11.7
279 2 3 7 38.104 76.208 0.345 3.53 4 35.0 2.6
280 3 2 -8 38.14 76.281 0.345 3.52 4 91.7 18.0
281 1 1 15 38.272 76.544 0.346 3.5 4 94.0 18.8
282 2 2 11 38.327 76.654 0.347 3.49 4 29.5 1.8
283 1 4 3 38.374 76.748 0.347 3.48 4 9.0 0.2
284 0 1 16 38.398 76.796 0.347 3.48 4 24.1 1.2
285 3 2 6 38.491 76.981 0.348 3.47 4 20.2 0.9
286 1 4 -4 38.511 77.022 0.348 3.46 4 17.7 0.7
287 3 1 -11 38.544 77.089 0.348 3.46 4 62.6 8.2
288 2 3 -9 38.731 77.461 0.35 3.43 4 46.9 4.6
289 2 1 13 38.811 77.621 0.35 3.42 4 57.5 6.8
290 1 1 -16 38.878 77.756 0.351 3.41 4 47.5 4.7
291 0 4 6 38.934 77.867 0.351 3.4 4 145.4 43.6
292 3 0 -12 39.013 78.025 0.352 3.39 2 29.0 0.9
293 1 4 4 39.023 78.045 0.352 3.39 4 33.1 2.3
294 3 1 9 39.043 78.086 0.352 3.38 4 24.3 1.2
295 0 3 12 39.129 78.258 0.353 3.37 4 16.8 0.6
296 1 4 -5 39.198 78.396 0.353 3.36 4 9.9 0.2
297 2 2 -13 39.264 78.528 0.354 3.35 4 31.7 2.0
298 3 2 -9 39.368 78.737 0.355 3.34 4 178.5 64.5
299 1 3 11 39.414 78.829 0.355 3.33 4 7.8 0.1
300 2 3 8 39.484 78.969 0.355 3.32 4 56.1 6.4
301 3 0 10 39.559 79.118 0.356 3.31 2 9.1 0.1
302 1 2 14 39.566 79.132 0.356 3.31 4 45.2 4.1
303 0 2 15 39.589 79.177 0.356 3.31 4 4.2 0.0
304 4 0 -2 39.635 79.27 0.357 3.3 2 151.2 22.9
305 1 0 16 39.662 79.324 0.357 3.3 2 24.9 0.6
306 3 2 7 39.765 79.53 0.358 3.28 4 152.1 46.1
307 4 0 0 39.811 79.623 0.358 3.28 2 101.4 10.2
308 1 4 5 39.834 79.669 0.358 3.28 4 28.3 1.6
309 1 3 -12 39.861 79.721 0.358 3.27 4 8.4 0.1
310 2 1 -15 39.899 79.799 0.359 3.27 4 31.3 1.9
311 2 0 14 39.928 79.856 0.359 3.26 2 96.7 9.3
312 0 4 7 40.014 80.027 0.359 3.25 4 135.4 36.2
313 1 4 -6 40.047 80.095 0.36 3.25 4 52.2 5.4
314 4 0 -4 40.121 80.242 0.36 3.24 2 231.1 52.5
315 1 2 -15 40.128 80.256 0.36 3.24 4 134.2 35.4
316 2 3 -10 40.182 80.364 0.361 3.23 4 5.2 0.1
317 3 1 -12 40.265 80.531 0.361 3.22 4 8.7 0.1
318 2 2 12 40.367 80.735 0.362 3.21 4 48.1 4.5
319 3 3 -1 40.516 81.032 0.363 3.19 4 29.8 1.7
320 3 3 -2 40.574 81.148 0.364 3.19 4 61.4 7.3
321 3 3 0 40.623 81.247 0.364 3.18 4 21.4 0.9
322 4 0 2 40.649 81.298 0.364 3.18 2 96.1 8.9
323 3 2 -10 40.751 81.501 0.365 3.17 4 35.3 2.4
324 3 3 -3 40.797 81.594 0.365 3.16 4 27.1 1.4
325 1 4 6 40.807 81.613 0.365 3.16 4 31.0 1.8
326 3 1 10 40.807 81.615 0.365 3.16 4 39.1 2.9
327 4 1 -2 40.883 81.765 0.366 3.15 4 3.1 0.0
328 4 1 -1 40.888 81.776 0.366 3.15 4 60.9 7.1
329 3 3 1 40.895 81.79 0.366 3.15 4 13.5 0.3
330 1 1 16 40.91 81.82 0.366 3.15 4 7.8 0.1
331 2 3 9 41.017 82.033 0.367 3.14 4 10.3 0.2
332 4 1 -3 41.042 82.084 0.367 3.13 4 16.4 0.5
333 1 4 -7 41.057 82.114 0.367 3.13 4 31.0 1.8
334 4 1 0 41.058 82.116 0.367 3.13 4 6.4 0.1
335 2 0 -16 41.086 82.172 0.367 3.13 2 215.6 44.1
336 0 1 17 41.135 82.27 0.368 3.12 4 7.4 0.1
337 2 1 14 41.174 82.348 0.368 3.12 4 0.0 0.0
338 3 3 -4 41.184 82.368 0.368 3.12 4 17.1 0.6
339 3 2 8 41.193 82.386 0.368 3.12 4 87.1 14.4
340 0 3 13 41.197 82.394 0.368 3.12 4 21.9 0.9
341 0 4 8 41.251 82.502 0.369 3.11 4 82.4 12.8
342 4 0 -6 41.265 82.53 0.369 3.11 2 145.1 19.9
343 3 3 2 41.331 82.663 0.369 3.1 4 31.0 1.8
344 4 1 -4 41.366 82.731 0.369 3.1 4 17.5 0.6
345 2 2 -14 41.369 82.738 0.369 3.1 4 1.1 0.0
346 1 3 12 41.378 82.756 0.37 3.1 4 50.3 4.8
347 4 1 1 41.392 82.785 0.37 3.1 4 48.9 4.5
348 1 1 -17 41.545 83.089 0.371 3.08 4 67.0 8.4
349 3 3 -5 41.735 83.469 0.372 3.06 4 19.7 0.7
350 2 3 -11 41.785 83.571 0.372 3.06 4 58.8 6.4
351 4 1 -5 41.853 83.706 0.373 3.05 4 14.4 0.4
352 1 3 -13 41.858 83.716 0.373 3.05 4 43.0 3.4
353 2 4 -1 41.866 83.732 0.373 3.05 4 68.3 8.6
354 4 1 2 41.89 83.78 0.373 3.05 4 16.8 0.5
355 2 4 0 41.909 83.819 0.373 3.05 4 93.8 16.2
356 3 3 3 41.931 83.861 0.374 3.04 4 0.1 0.0
357 1 4 7 41.938 83.877 0.374 3.04 4 23.5 1.0
358 2 4 -2 41.986 83.972 0.374 3.04 4 145.9 39.3
359 1 2 15 42.02 84.041 0.374 3.04 4 199.5 73.3
360 2 4 1 42.117 84.234 0.375 3.03 4 114.4 24.0
361 3 1 -13 42.133 84.266 0.375 3.03 4 18.9 0.7
362 4 0 4 42.139 84.278 0.375 3.03 2 184.1 31.1
363 0 2 16 42.144 84.287 0.375 3.03 4 81.3 12.1
364 1 4 -8 42.226 84.452 0.376 3.02 4 60.5 6.7
365 2 4 -3 42.27 84.541 0.376 3.01 4 36.8 2.5
366 3 2 -11 42.287 84.574 0.376 3.01 4 104.4 19.9
367 2 1 -16 42.325 84.65 0.376 3.01 4 14.7 0.4
368 3 3 -6 42.448 84.896 0.377 3.0 4 1.1 0.0
369 2 4 2 42.488 84.977 0.378 3.0 4 175.3 55.8
370 4 1 -6 42.503 85.007 0.378 2.99 4 55.7 5.6
371 2 2 13 42.548 85.096 0.378 2.99 4 69.5 8.8
372 4 1 3 42.551 85.102 0.378 2.99 4 7.3 0.1
373 1 2 -16 42.614 85.228 0.378 2.98 4 49.0 4.3
374 0 4 9 42.645 85.291 0.379 2.98 4 66.7 8.1
375 3 3 4 42.692 85.384 0.379 2.98 4 32.1 1.9
376 2 3 10 42.701 85.402 0.379 2.98 4 5.2 0.0
377 2 4 -4 42.718 85.436 0.379 2.98 4 51.4 4.8
378 3 1 11 42.72 85.439 0.379 2.98 4 29.3 1.5
379 0 0 18 42.768 85.535 0.38 2.97 2 134.8 16.4
380 3 2 9 42.776 85.551 0.38 2.97 4 120.4 26.1
381 3 0 -14 42.919 85.839 0.381 2.96 2 35.4 1.1
382 2 4 3 43.023 86.045 0.381 2.95 4 130.7 30.6
383 4 0 -8 43.057 86.115 0.382 2.95 2 198.6 35.3
384 1 0 -18 43.112 86.224 0.382 2.95 2 5.3 0.0
385 1 4 8 43.229 86.457 0.383 2.94 4 15.5 0.4
386 4 1 -7 43.316 86.631 0.383 2.93 4 74.8 9.9
387 3 3 -7 43.323 86.646 0.384 2.93 4 12.2 0.3
388 2 4 -5 43.328 86.656 0.384 2.93 4 102.2 18.6
389 4 1 4 43.374 86.747 0.384 2.93 4 24.3 1.0
390 0 3 14 43.409 86.818 0.384 2.92 4 54.1 5.2
391 1 3 13 43.488 86.975 0.385 2.92 4 66.2 7.8
392 2 3 -12 43.542 87.084 0.385 2.91 4 12.3 0.3
393 1 4 -9 43.553 87.106 0.385 2.91 4 14.6 0.4
394 3 0 12 43.554 87.107 0.385 2.91 2 38.2 1.3
395 3 3 5 43.615 87.231 0.386 2.91 4 27.6 1.3
396 2 2 -15 43.618 87.236 0.386 2.91 4 7.6 0.1
397 2 1 15 43.674 87.348 0.386 2.91 4 8.3 0.1
398 1 1 17 43.676 87.353 0.386 2.91 4 21.5 0.8
399 2 4 4 43.719 87.439 0.386 2.9 4 129.4 29.5
400 3 2 -12 43.979 87.958 0.388 2.89 4 54.3 5.2
401 0 1 18 44.001 88.001 0.388 2.88 4 9.5 0.2
402 1 3 -14 44.003 88.006 0.388 2.88 4 15.6 0.4
403 2 4 -6 44.101 88.202 0.389 2.88 4 131.9 30.4
404 3 1 -14 44.152 88.304 0.389 2.88 4 60.9 6.5
405 0 4 10 44.197 88.394 0.39 2.87 4 141.3 34.8
406 4 0 6 44.274 88.549 0.39 2.87 2 128.4 14.3
407 4 1 -8 44.29 88.579 0.39 2.87 4 36.9 2.4
408 1 1 -18 44.344 88.688 0.391 2.86 4 15.8 0.4
409 4 1 5 44.358 88.716 0.391 2.86 4 35.0 2.1
410 3 3 -8 44.359 88.719 0.391 2.86 4 27.4 1.3
411 3 2 10 44.515 89.029 0.392 2.85 4 2.3 0.0
412 2 3 11 44.541 89.081 0.392 2.85 4 36.9 2.4
413 2 4 5 44.579 89.157 0.392 2.85 4 112.9 22.1
414 4 2 -2 44.589 89.178 0.392 2.85 4 14.9 0.4
415 4 2 -1 44.594 89.188 0.392 2.85 4 30.7 1.6
416 1 2 16 44.616 89.232 0.393 2.85 4 65.0 7.3
417 1 4 9 44.678 89.356 0.393 2.84 4 32.8 1.9
418 3 3 6 44.7 89.4 0.393 2.84 4 62.5 6.7
419 4 2 -3 44.747 89.493 0.394 2.84 4 26.5 1.2
420 4 2 0 44.763 89.525 0.394 2.84 4 1.8 0.0
421 3 1 12 44.785 89.57 0.394 2.84 4 10.0 0.2
422 0 2 17 44.839 89.678 0.394 2.84 4 63.3 6.9
423 2 2 14 44.877 89.755 0.394 2.83 4 81.9 11.5
424 2 1 -17 44.895 89.79 0.395 2.83 4 20.9 0.8
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 0 0 2 4.327 8.654 11.85538 3284.1 100.0 100.0 5.6
2 0 0 4 8.679 17.358 5.92769 1318.3 40.1 39.9 5.6
3 1 0 2 10.545 21.091 4.8874 273.9 8.3 8.3 5.6
4 0 1 3 10.671 21.342 4.83049 443.9 13.5 13.4 5.6
5 1 0 -4 12.112 24.225 4.26277 145.4 4.4 4.4 5.6
6 1 1 -1 12.579 25.159 4.10693 253.7 7.7 7.6 5.6
7 1 1 1 12.87 25.74 4.01566 49.9 1.5 1.5 5.6
8 0 0 6 13.082 26.164 3.95179 435.5 13.3 13.1 5.6
9 1 0 4 13.278 26.556 3.89442 114.2 3.5 3.4 5.6
10 0 1 5 13.82 27.639 3.7446 267.1 8.1 8.0 5.6
11 1 0 -6 15.376 30.753 3.37328 121.8 3.7 3.7 5.6
12 1 1 -5 16.135 32.269 3.21868 48.4 1.5 1.4 5.6
13 1 0 6 16.785 33.57 3.09737 37.0 1.1 1.1 5.7
14 0 0 8 17.565 35.13 2.96385 490.8 14.9 14.7 5.7
15 2 0 0 18.671 37.342 2.79404 315.9 9.6 9.4 5.7
16 2 0 -2 18.796 37.592 2.77607 38.5 1.2 1.1 5.7
17 1 2 0 19.51 39.021 2.6782 113.6 3.5 3.4 5.7
18 1 2 -1 19.541 39.081 2.67422 249.7 7.6 7.4 5.7
19 2 0 2 19.601 39.202 2.66632 183.7 5.6 5.5 5.7
20 1 2 1 19.738 39.476 2.64853 159.4 4.9 4.7 5.7
21 2 0 -4 19.96 39.92 2.62024 38.6 1.2 1.1 5.7
22 1 2 2 20.216 40.432 2.58841 43.1 1.3 1.3 5.7
23 1 2 -3 20.363 40.725 2.57056 456.6 13.9 13.6 5.7
24 2 1 0 20.615 41.23 2.54046 66.9 2.0 2.0 5.7
25 1 1 7 20.658 41.317 2.53535 34.3 1.0 1.0 5.7
26 2 1 1 20.926 41.853 2.50432 50.2 1.5 1.5 5.7
27 1 1 -8 21.088 42.176 2.486 36.9 1.1 1.1 5.7
28 1 2 -4 21.13 42.26 2.48127 45.0 1.4 1.3 5.7
29 2 0 4 21.471 42.942 2.4437 319.2 9.7 9.5 5.7
30 1 2 4 21.863 43.726 2.40197 56.2 1.7 1.7 5.7
31 2 0 -6 22.025 44.05 2.38518 70.3 2.1 2.1 5.7
32 1 2 -5 22.11 44.22 2.37644 327.7 10.0 9.7 5.7
33 1 2 5 22.992 45.984 2.28995 232.8 7.1 6.9 5.7
34 2 0 6 24.105 48.21 2.1901 186.1 5.7 5.5 5.7
35 1 2 -7 24.626 49.253 2.14653 399.1 12.2 11.8 5.7
36 2 0 -8 24.813 49.626 2.13138 142.1 4.3 4.2 5.7
37 1 2 7 25.762 51.524 2.05797 123.7 3.8 3.6 5.8
38 1 2 -8 26.125 52.251 2.03131 56.7 1.7 1.7 5.8
39 0 0 12 26.916 53.832 1.9759 44.5 1.4 1.3 5.8
40 2 0 8 27.345 54.691 1.94721 171.2 5.2 5.0 5.8
41 1 2 -9 27.764 55.528 1.92014 208.4 6.3 6.1 5.8
42 2 2 4 27.965 55.93 1.90745 35.0 1.1 1.0 5.8
43 1 2 9 29.107 58.214 1.83879 84.3 2.6 2.5 5.8
44 3 0 -6 30.8 61.601 1.74683 98.7 3.0 2.9 5.8
45 2 0 10 31.087 62.173 1.73233 61.8 1.9 1.8 5.8
46 1 2 -11 31.419 62.837 1.71587 155.0 4.7 4.5 5.9
47 0 0 14 31.879 63.759 1.69363 37.5 1.1 1.1 5.9
48 2 0 -12 32.027 64.054 1.68664 78.3 2.4 2.3 5.9
49 1 2 11 32.943 65.887 1.64481 118.5 3.6 3.4 5.9
50 1 2 -12 33.422 66.844 1.62393 37.3 1.1 1.1 5.9
51 3 2 -1 34.121 68.243 1.59455 194.0 5.9 5.6 5.9
52 3 2 0 34.235 68.47 1.58989 42.0 1.3 1.2 5.9
53 3 2 -3 34.419 68.839 1.58242 114.2 3.5 3.3 5.9
54 3 2 1 34.524 69.048 1.57823 117.3 3.6 3.4 5.9
55 1 2 12 35.034 70.068 1.55812 57.6 1.8 1.6 5.9
56 2 0 12 35.279 70.558 1.54869 69.2 2.1 2.0 5.9
57 3 2 -5 35.41 70.82 1.54371 62.9 1.9 1.8 5.9
58 1 2 -13 35.54 71.079 1.53882 97.9 3.0 2.8 5.9
59 3 2 3 35.616 71.232 1.53595 49.4 1.5 1.4 5.9
60 0 4 1 35.977 71.953 1.5226 65.7 2.0 1.9 5.9
61 0 4 2 36.234 72.467 1.51327 115.2 3.5 3.3 5.9
62 2 0 -14 36.324 72.648 1.51002 54.5 1.7 1.5 6.0
63 3 2 -7 37.069 74.138 1.48389 76.0 2.3 2.2 6.0
64 0 0 16 37.127 74.254 1.48192 39.4 1.2 1.1 6.0
65 1 2 13 37.24 74.48 1.47806 154.4 4.7 4.4 6.0
66 3 2 5 37.372 74.745 1.47359 59.1 1.8 1.7 6.0
67 0 4 6 38.934 77.867 1.42335 43.6 1.3 1.2 6.0
68 3 2 -9 39.368 78.737 1.41015 64.5 2.0 1.8 6.0
69 3 2 7 39.765 79.53 1.39838 46.1 1.4 1.3 6.0
70 0 4 7 40.014 80.027 1.39114 36.2 1.1 1.0 6.0
71 4 0 -4 40.121 80.242 1.38804 87.9 2.7 2.5 6.0
72 2 0 -16 41.086 82.172 1.36103 46.0 1.4 1.3 6.1
73 2 4 -2 41.986 83.972 1.33711 39.3 1.2 1.1 6.1
74 1 2 15 42.02 84.041 1.33622 73.3 2.2 2.0 6.1
75 4 0 4 42.139 84.278 1.33316 67.9 2.1 1.9 6.1
76 2 4 2 42.488 84.977 1.32426 61.5 1.9 1.7 6.1
77 3 2 9 42.776 85.551 1.31707 42.5 1.3 1.2 6.1
78 4 0 -8 43.057 86.115 1.31012 35.3 1.1 1.0 6.1
79 0 4 10 44.197 88.394 1.28306 34.8 1.1 1.0 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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