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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SHATTUCKITE
1
Cu(5)[SiO(3)](4)(OH)(2)
Orthorhombic P cab Z = 4
R =0.056 NR =1980
21 .3 .1991
Ref.Str.:
Evans H.T., Mrose Jr., Mrose M.E. (1977)
* Amer. Mineral., 62, 491-502
Reserv:
See U(ij) in the original
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.885 alpha = 90.0
b = 19.832 beta = 90.0
c = 5.3825 gamma = 90.0
Unit cell volume (cub. angs.) = 1055.18
Molar volume ( cub.cm/mol.) = 158.89
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.0 0.5 0.0 Cu = 1.00
2 0.3309 0.0255 0.0397 0.0 Cu = 1.00
3 0.2521 0.2813 0.4677 0.0 Cu = 1.00
4 0.5449 0.135 0.2173 0.0 Si = 1.00
5 0.3974 0.1571 0.7265 0.0 Si = 1.00
6 0.5054 0.0554 0.1996 0.0 O = 1.00
7 0.3426 0.0805 0.7439 0.0 O = 1.00
8 0.7076 0.1512 0.2203 0.0 O = 1.00
9 0.4913 0.1735 0.9708 0.0 O = 1.00
10 0.4907 0.167 0.4777 0.0 O = 1.00
11 0.2836 0.2163 0.7193 0.0 O = 1.00
12 0.6779 0.0243 0.6426 0.0 OH = 1.00
13 0.71 0.435 0.63 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.0 0.5
2 2 0.3309 0.0255 0.0397
3 3 0.2521 0.2813 0.4677
4 4 0.5449 0.135 0.2173
5 5 0.3974 0.1571 0.7265
6 6 0.5054 0.0554 0.1996
7 7 0.3426 0.0805 0.7439
8 8 0.7076 0.1512 0.2203
9 9 0.4913 0.1735 0.9708
10 10 0.4907 0.167 0.4777
11 11 0.2836 0.2163 0.7193
12 12 0.6779 0.0243 0.6426
13 13 0.71 0.435 0.63
14 2 0.6691 0.9745 0.9603
15 3 0.7479 0.7187 0.5323
16 4 0.4551 0.865 0.7827
17 5 0.6026 0.8429 0.2735
18 6 0.4946 0.9446 0.8004
19 7 0.6574 0.9195 0.2561
20 8 0.2924 0.8488 0.7797
21 9 0.5087 0.8265 0.0292
22 10 0.5093 0.833 0.5223
23 11 0.7164 0.7837 0.2807
24 12 0.3221 0.9757 0.3574
25 13 0.29 0.565 0.37
26 1 0.0 0.5 0.5
27 2 0.8309 0.4745 0.0397
28 3 0.7521 0.2187 0.4677
29 4 0.0449 0.365 0.2173
30 5 0.8974 0.3429 0.7265
31 6 0.0054 0.4446 0.1996
32 7 0.8426 0.4195 0.7439
33 8 0.2076 0.3488 0.2203
34 9 0.9913 0.3265 0.9708
35 10 0.9907 0.333 0.4777
36 11 0.7836 0.2837 0.7193
37 12 0.1779 0.4757 0.6426
38 13 0.21 0.065 0.63
39 2 0.1691 0.5255 0.9603
40 3 0.2479 0.7813 0.5323
41 4 0.9551 0.635 0.7827
42 5 0.1026 0.6571 0.2735
43 6 0.9946 0.5554 0.8004
44 7 0.1574 0.5805 0.2561
45 8 0.7924 0.6512 0.7797
46 9 0.0087 0.6735 0.0292
47 10 0.0093 0.667 0.5223
48 11 0.2164 0.7163 0.2807
49 12 0.8221 0.5243 0.3574
50 13 0.79 0.935 0.37
51 1 0.5 0.5 0.0
52 2 0.3309 0.5255 0.4603
53 3 0.2521 0.7813 0.0323
54 4 0.5449 0.635 0.2827
55 5 0.3974 0.6571 0.7735
56 6 0.5054 0.5554 0.3004
57 7 0.3426 0.5805 0.7561
58 8 0.7076 0.6512 0.2797
59 9 0.4913 0.6735 0.5292
60 10 0.4907 0.667 0.0223
61 11 0.2836 0.7163 0.7807
62 12 0.6779 0.5243 0.8574
63 13 0.71 0.935 0.87
64 2 0.6691 0.4745 0.5397
65 3 0.7479 0.2187 0.9677
66 4 0.4551 0.365 0.7173
67 5 0.6026 0.3429 0.2265
68 6 0.4946 0.4446 0.6996
69 7 0.6574 0.4195 0.2439
70 8 0.2924 0.3488 0.7203
71 9 0.5087 0.3265 0.4708
72 10 0.5093 0.333 0.9777
73 11 0.7164 0.2837 0.2193
74 12 0.3221 0.4757 0.1426
75 13 0.29 0.065 0.13
76 1 0.0 0.0 0.0
77 2 0.8309 0.9745 0.4603
78 3 0.7521 0.7187 0.0323
79 4 0.0449 0.865 0.2827
80 5 0.8974 0.8429 0.7735
81 6 0.0054 0.9446 0.3004
82 7 0.8426 0.9195 0.7561
83 8 0.2076 0.8488 0.2797
84 9 0.9913 0.8265 0.5292
85 10 0.9907 0.833 0.0223
86 11 0.7836 0.7837 0.7807
87 12 0.1779 0.9757 0.8574
88 13 0.21 0.565 0.87
89 2 0.1691 0.0255 0.5397
90 3 0.2479 0.2813 0.9677
91 4 0.9551 0.135 0.7173
92 5 0.1026 0.1571 0.2265
93 6 0.9946 0.0554 0.6996
94 7 0.1574 0.0805 0.2439
95 8 0.7924 0.1512 0.7203
96 9 0.0087 0.1735 0.4708
97 10 0.0093 0.167 0.9777
98 11 0.2164 0.2163 0.2193
99 12 0.8221 0.0243 0.1426
100 13 0.79 0.435 0.13
X-ray density (g/cm cub.) = 4.14
MU (1/cm) = 164.97 Mass attenuation coefficient (cm**2/g) = 39.836
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 2.856 6
1.9556 6
2.5871 7
1.9783 12
1.9556 6
2.5871 7
1.9783 12
2 Cu 2.856 6
2.0169 6
1.9334 7
2.6176 6
1.9767 12
2.0556 12
2.3107 7
3 Cu 2.856 6
1.8954 11
1.9387 8
2.7805 10
1.9492 8
2.6903 9
1.8905 11
4 Si 2.148 4
1.629 6
1.6401 8
1.6199 9
1.6292 10
5 Si 2.148 4
1.6155 7
1.6421 9
1.6378 10
1.6264 11
6 O 3.312 9
2.9755 7
2.7599 8
2.6499 9
2.6759 10
2.9956 12
3.0752 6
3.1006 7
2.5501 12
3.2055 12
7 O 3.312 9
2.9755 6
2.6559 9
2.6719 10
2.7588 11
3.1006 6
2.9476 12
2.7099 12
3.2549 7
3.2549 7
8 O 3.312 9
2.7599 6
2.5633 9
2.5719 10
2.6292 11
2.8188 8
2.8188 8
3.2973 9
3.2707 10
2.791 12
9 O 3.312 9
2.6499 6
2.6559 7
2.5633 8
2.7314 10
2.6572 10
2.6016 11
3.1684 10
3.2973 8
3.1454 11
10 O 3.312 9
2.6759 6
2.6719 7
2.5719 8
2.6572 9
2.7314 9
2.6149 11
3.1684 9
3.2707 8
3.2004 11
11 O 3.312 8
2.7588 7
2.6016 9
2.6149 10
2.6292 8
3.1454 9
3.2004 10
2.772 11
2.772 11
12 OH 3.36 8
2.9956 6
2.5501 6
2.9476 7
2.7099 7
3.2055 6
2.791 8
3.0454 12
3.0454 12
13 H 1.68 1
1.4793 7
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 2 0 4.455 8.911 0.05 328.46 2 56.6 188.9
2 1 2 0 6.317 12.634 0.071 162.23 4 11.7 8.0
3 0 4 0 8.938 17.875 0.101 79.93 2 223.0 713.8
4 2 0 0 8.966 17.932 0.101 79.41 2 93.5 124.8
5 1 1 1 9.643 19.287 0.109 68.35 8 0.0 0.0
6 1 4 0 10.009 20.019 0.113 63.29 4 218.3 1083.2
7 2 2 0 10.028 20.057 0.113 63.04 4 163.1 602.5
8 1 2 1 10.4 20.8 0.117 58.47 8 37.6 59.3
9 1 3 1 11.556 23.112 0.13 46.95 8 27.1 24.7
10 2 0 1 12.215 24.431 0.137 41.8 4 157.6 372.8
11 2 1 1 12.423 24.845 0.14 40.35 8 2.1 0.1
12 2 4 0 12.712 25.425 0.143 38.44 4 262.4 950.8
13 1 4 1 13.011 26.023 0.146 36.6 8 60.8 97.3
14 2 2 1 13.026 26.052 0.146 36.51 8 109.2 312.8
15 0 6 0 13.476 26.952 0.151 33.98 2 330.1 665.1
16 2 3 1 13.978 27.956 0.157 31.44 8 82.1 152.3
17 1 6 0 14.225 28.449 0.16 30.29 4 9.1 0.9
18 3 2 0 14.261 28.522 0.16 30.13 4 117.2 148.7
19 1 5 1 14.685 29.37 0.165 28.3 8 46.8 44.5
20 2 4 1 15.218 30.437 0.17 26.22 8 181.6 621.0
21 3 1 1 16.071 32.143 0.18 23.31 8 230.6 890.8
22 2 6 0 16.281 32.562 0.182 22.67 4 209.7 358.1
23 3 4 0 16.301 32.603 0.182 22.61 4 181.0 266.2
24 1 6 1 16.521 33.041 0.185 21.96 8 24.7 9.6
25 3 2 1 16.552 33.105 0.185 21.87 8 120.8 229.2
26 0 0 2 16.632 33.263 0.186 21.65 2 187.3 136.5
27 2 5 1 16.69 33.381 0.186 21.48 8 147.5 335.8
28 0 1 2 16.789 33.577 0.187 21.21 4 10.6 0.9
29 0 2 2 17.252 34.503 0.193 19.99 4 73.5 38.8
30 3 3 1 17.328 34.655 0.193 19.8 8 229.0 745.9
31 1 1 2 17.408 34.815 0.194 19.6 8 52.9 39.5
32 1 2 2 17.857 35.713 0.199 18.54 8 45.6 27.7
33 0 3 2 18.001 36.001 0.201 18.22 4 168.1 184.9
34 0 8 0 18.103 36.206 0.202 17.99 2 100.8 32.8
35 4 0 0 18.162 36.323 0.202 17.86 2 307.9 304.1
36 2 6 1 18.347 36.693 0.204 17.47 8 18.9 4.5
37 3 4 1 18.365 36.73 0.205 17.43 8 39.5 19.6
38 1 7 1 18.48 36.96 0.206 17.19 8 74.4 68.4
39 1 3 2 18.584 37.169 0.207 16.98 8 5.3 0.3
40 1 8 0 18.684 37.367 0.208 16.78 4 228.5 315.0
41 4 2 0 18.737 37.475 0.209 16.68 4 205.8 253.8
42 0 4 2 19.006 38.012 0.211 16.16 4 438.0 1114.1
43 2 0 2 19.02 38.04 0.212 16.14 4 100.5 58.6
44 2 1 2 19.16 38.319 0.213 15.88 8 41.5 19.6
45 3 6 0 19.274 38.548 0.214 15.67 4 145.5 119.1
46 1 4 2 19.564 39.128 0.217 15.16 8 205.4 459.7
47 2 2 2 19.574 39.148 0.217 15.14 8 82.7 74.4
48 3 5 1 19.629 39.257 0.218 15.05 8 197.9 423.3
49 4 0 1 20.058 40.117 0.223 14.34 4 92.1 43.7
50 2 7 1 20.152 40.304 0.224 14.19 8 150.3 230.4
51 4 1 1 20.192 40.385 0.224 14.13 8 25.3 6.5
52 0 5 2 20.236 40.471 0.225 14.06 4 46.1 10.7
53 2 3 2 20.249 40.498 0.225 14.04 8 49.8 25.1
54 2 8 0 20.342 40.683 0.226 13.9 4 27.5 3.8
55 4 4 0 20.382 40.763 0.226 13.84 4 146.9 107.2
56 1 8 1 20.54 41.079 0.228 13.6 8 33.3 10.8
57 4 2 1 20.589 41.178 0.228 13.53 8 71.2 49.3
58 1 5 2 20.766 41.532 0.23 13.28 8 100.8 96.8
59 3 6 1 21.086 42.173 0.234 12.83 8 8.7 0.7
60 2 4 2 21.164 42.327 0.234 12.72 8 67.3 41.5
61 4 3 1 21.237 42.475 0.235 12.62 8 106.0 101.8
62 0 6 2 21.66 43.319 0.24 12.08 4 130.9 74.3
63 3 1 2 21.814 43.627 0.241 11.89 8 16.0 2.2
64 2 8 1 22.081 44.163 0.244 11.57 8 9.0 0.7
65 4 4 1 22.119 44.237 0.244 11.52 8 11.4 1.1
66 1 6 2 22.162 44.324 0.245 11.47 8 91.5 69.1
67 3 2 2 22.187 44.374 0.245 11.44 8 44.4 16.2
68 2 5 2 22.295 44.59 0.246 11.32 8 7.3 0.4
69 1 9 1 22.686 45.371 0.25 10.88 8 79.3 49.2
70 3 7 1 22.71 45.42 0.251 10.86 8 160.8 201.7
71 3 3 2 22.798 45.596 0.252 10.76 8 40.7 12.8
72 0 10 0 22.855 45.71 0.252 10.7 2 21.6 0.9
73 3 8 0 22.882 45.765 0.252 10.67 4 74.8 21.4
74 4 6 0 22.904 45.807 0.253 10.65 4 12.2 0.6
75 4 5 1 23.213 46.425 0.256 10.33 8 108.0 86.6
76 0 7 2 23.251 46.503 0.256 10.29 4 120.1 53.3
77 1 10 0 23.337 46.674 0.257 10.21 4 79.4 23.1
78 5 2 0 23.409 46.818 0.258 10.14 4 199.3 144.6
79 2 6 2 23.619 47.237 0.26 9.93 8 152.9 166.9
80 3 4 2 23.633 47.267 0.26 9.92 8 104.7 78.1
81 1 7 2 23.727 47.454 0.261 9.83 8 80.4 45.7
82 2 9 1 24.118 48.235 0.265 9.47 8 146.1 145.2
83 3 8 1 24.478 48.956 0.269 9.16 8 31.1 6.4
84 4 6 1 24.498 48.996 0.269 9.14 8 100.8 66.7
85 5 1 1 24.638 49.276 0.271 9.02 8 12.5 1.0
86 3 5 2 24.675 49.35 0.271 8.99 8 50.9 16.7
87 2 10 0 24.74 49.48 0.272 8.94 4 75.3 18.2
88 5 4 0 24.8 49.6 0.272 8.89 4 8.5 0.2
89 1 10 1 24.91 49.821 0.273 8.8 8 87.6 48.5
90 5 2 1 24.978 49.957 0.274 8.75 8 110.0 76.0
91 0 8 2 24.99 49.979 0.274 8.74 4 74.5 17.4
92 4 0 2 25.035 50.07 0.275 8.7 4 232.0 168.2
93 2 7 2 25.114 50.227 0.275 8.64 8 86.4 46.4
94 4 1 2 25.148 50.295 0.276 8.61 8 77.9 37.5
95 1 8 2 25.441 50.882 0.279 8.39 8 348.1 730.4
96 4 2 2 25.483 50.966 0.279 8.36 8 159.4 152.7
97 5 3 1 25.538 51.077 0.28 8.32 8 32.1 6.1
98 3 6 2 25.906 51.812 0.284 8.05 8 156.3 141.4
99 4 7 1 25.955 51.911 0.284 8.02 8 152.3 133.7
100 1 1 3 25.98 51.961 0.284 8.0 8 53.0 16.1
101 4 3 2 26.035 52.07 0.285 7.96 8 52.7 15.9
102 4 8 0 26.111 52.223 0.286 7.91 4 28.0 2.2
103 2 10 1 26.25 52.501 0.287 7.81 8 81.3 37.1
104 5 4 1 26.308 52.616 0.288 7.77 8 17.8 1.8
105 1 2 3 26.308 52.616 0.288 7.77 8 3.4 0.1
106 3 9 1 26.373 52.746 0.288 7.73 8 109.9 67.1
107 2 8 2 26.762 53.524 0.292 7.48 8 1.8 0.0
108 4 4 2 26.794 53.589 0.293 7.46 8 87.1 40.6
109 1 3 3 26.848 53.697 0.293 7.42 8 21.1 2.4
110 0 9 2 26.859 53.717 0.293 7.41 4 168.9 76.0
111 3 10 0 26.957 53.915 0.294 7.35 4 47.3 5.9
112 5 6 0 27.0 54.001 0.295 7.33 4 172.9 78.6
113 2 0 3 27.177 54.353 0.296 7.22 4 258.7 173.6
114 1 11 1 27.211 54.421 0.297 7.2 8 110.3 63.0
115 5 5 1 27.275 54.549 0.297 7.16 8 23.1 2.8
116 2 1 3 27.283 54.566 0.298 7.15 8 65.0 21.7
117 1 9 2 27.288 54.576 0.298 7.15 8 74.8 28.7
118 3 7 2 27.309 54.618 0.298 7.14 8 82.3 34.7
119 4 8 1 27.568 55.136 0.3 6.99 8 74.9 28.2
120 1 4 3 27.592 55.184 0.301 6.97 8 10.6 0.6
121 2 2 3 27.6 55.2 0.301 6.97 8 76.5 29.3
122 4 5 2 27.749 55.499 0.302 6.88 8 27.8 3.8
123 0 12 0 27.78 55.561 0.303 6.87 2 36.4 1.6
124 6 0 0 27.875 55.75 0.303 6.81 2 169.8 35.3
125 2 3 3 28.123 56.246 0.306 6.68 8 57.8 16.0
126 1 12 0 28.2 56.4 0.307 6.64 4 215.6 110.9
127 6 2 0 28.291 56.583 0.308 6.59 4 457.3 495.1
128 3 10 1 28.384 56.768 0.309 6.54 8 9.3 0.4
129 5 6 1 28.426 56.851 0.309 6.52 8 49.6 11.5
130 2 11 1 28.474 56.949 0.309 6.49 8 158.4 117.1
131 1 5 3 28.529 57.058 0.31 6.47 8 0.4 0.0
132 2 9 2 28.549 57.099 0.31 6.45 8 45.6 9.7
133 2 4 3 28.845 57.689 0.313 6.31 8 2.6 0.0
134 0 10 2 28.847 57.694 0.313 6.31 4 239.7 130.2
135 3 8 2 28.87 57.74 0.313 6.29 8 227.1 233.1
136 4 6 2 28.888 57.776 0.314 6.29 8 72.2 23.5
137 5 1 2 29.013 58.026 0.315 6.22 8 57.5 14.8
138 1 10 2 29.257 58.513 0.317 6.11 8 18.0 1.4
139 6 0 1 29.272 58.544 0.317 6.1 4 58.6 7.5
140 5 2 2 29.318 58.635 0.318 6.08 8 11.1 0.5
141 4 9 1 29.322 58.645 0.318 6.08 8 175.9 135.1
142 3 1 3 29.366 58.732 0.318 6.06 8 273.4 325.4
143 6 1 1 29.373 58.746 0.318 6.05 8 24.1 2.5
144 2 12 0 29.436 58.872 0.319 6.02 4 247.9 133.0
145 6 4 0 29.517 59.034 0.32 5.99 4 123.6 32.9
146 1 12 1 29.587 59.174 0.32 5.96 8 28.2 3.4
147 1 6 3 29.648 59.296 0.321 5.93 8 61.2 15.9
148 3 2 3 29.668 59.337 0.321 5.92 8 113.2 54.5
149 6 2 1 29.676 59.351 0.321 5.92 8 40.4 6.9
150 5 7 1 29.748 59.496 0.322 5.88 8 56.2 13.4
151 2 5 3 29.756 59.512 0.322 5.88 8 9.7 0.4
152 5 3 2 29.821 59.642 0.323 5.85 8 49.2 10.2
153 4 10 0 29.868 59.736 0.323 5.83 4 121.5 30.9
154 5 8 0 29.891 59.782 0.323 5.82 4 27.9 1.6
155 3 3 3 30.168 60.336 0.326 5.7 8 192.1 151.2
156 6 3 1 30.175 60.351 0.326 5.7 8 16.1 1.1
157 4 7 2 30.198 60.395 0.326 5.69 8 42.1 7.2
158 2 10 2 30.465 60.931 0.329 5.58 8 71.0 20.2
159 3 11 1 30.505 61.009 0.329 5.56 8 54.3 11.8
160 5 4 2 30.517 61.035 0.33 5.56 8 36.2 5.2
161 3 9 2 30.576 61.153 0.33 5.53 8 88.4 31.1
162 2 12 1 30.788 61.576 0.332 5.45 8 60.3 14.2
163 2 6 3 30.847 61.695 0.333 5.43 8 101.2 39.9
164 3 4 3 30.86 61.72 0.333 5.42 8 76.9 23.0
165 6 4 1 30.867 61.734 0.333 5.42 8 43.2 7.3
166 1 7 3 30.938 61.876 0.334 5.39 8 65.2 16.4
167 0 11 2 30.948 61.895 0.334 5.39 4 49.0 4.7
168 4 10 1 31.209 62.418 0.336 5.29 8 61.2 14.3
169 5 8 1 31.231 62.462 0.337 5.28 8 142.7 77.2
170 1 11 2 31.341 62.681 0.338 5.24 8 58.4 12.8
171 5 5 2 31.399 62.798 0.338 5.22 8 36.5 5.0
172 3 12 0 31.428 62.856 0.338 5.21 4 119.9 26.9
173 6 6 0 31.494 62.987 0.339 5.18 4 215.3 86.3
174 4 8 2 31.668 63.336 0.341 5.12 8 11.7 0.5
175 3 5 3 31.736 63.472 0.341 5.1 8 172.5 109.0
176 6 5 1 31.743 63.486 0.342 5.09 8 18.1 1.2
177 4 0 3 32.042 64.084 0.344 4.99 4 94.7 16.1
178 1 13 1 32.044 64.087 0.344 4.99 8 133.9 64.3
179 2 7 3 32.109 64.218 0.345 4.97 8 82.1 24.1
180 4 1 3 32.138 64.276 0.345 4.96 8 8.9 0.3
181 1 8 3 32.389 64.778 0.348 4.88 8 39.1 5.4
182 3 10 2 32.42 64.84 0.348 4.87 8 200.7 140.8
183 4 2 3 32.425 64.85 0.348 4.86 8 102.5 36.7
184 5 6 2 32.458 64.917 0.348 4.85 8 293.1 299.7
185 2 11 2 32.503 65.007 0.349 4.84 8 19.6 1.3
186 3 12 1 32.732 65.463 0.351 4.77 8 80.6 22.3
187 3 6 3 32.789 65.579 0.352 4.75 8 79.3 21.5
188 6 6 1 32.796 65.592 0.352 4.75 8 0.6 0.0
189 5 9 1 32.865 65.73 0.352 4.73 8 82.9 23.3
190 4 3 3 32.901 65.802 0.353 4.71 8 14.6 0.7
191 0 14 0 32.94 65.88 0.353 4.7 2 213.3 38.4
192 0 12 2 33.158 66.316 0.355 4.64 4 27.7 1.3
193 2 13 1 33.193 66.386 0.355 4.63 8 134.9 60.5
194 4 11 1 33.222 66.443 0.356 4.62 8 138.7 63.8
195 6 0 2 33.243 66.487 0.356 4.61 4 126.8 26.6
196 4 9 2 33.29 66.58 0.356 4.6 8 18.3 1.1
197 1 14 0 33.32 66.641 0.357 4.59 4 79.1 10.3
198 6 1 2 33.337 66.675 0.357 4.58 8 50.8 8.5
199 5 10 0 33.377 66.754 0.357 4.57 4 277.7 126.7
200 7 2 0 33.434 66.868 0.358 4.56 4 0.8 0.0
201 2 8 3 33.532 67.065 0.359 4.53 8 35.8 4.2
202 1 12 2 33.537 67.074 0.359 4.53 8 226.7 167.2
203 4 4 3 33.561 67.122 0.359 4.52 8 140.9 64.5
204 6 2 2 33.619 67.239 0.359 4.5 8 249.9 202.1
205 5 7 2 33.687 67.374 0.36 4.48 8 108.2 37.7
206 1 9 3 33.993 67.986 0.363 4.4 8 61.4 11.9
207 3 7 3 34.012 68.024 0.363 4.4 8 132.7 55.7
208 6 7 1 34.019 68.037 0.363 4.39 8 26.7 2.2
209 6 3 2 34.086 68.173 0.364 4.38 8 9.3 0.3
210 4 12 0 34.104 68.209 0.364 4.37 4 58.0 5.3
211 6 8 0 34.151 68.302 0.364 4.36 4 52.8 4.4
212 3 11 2 34.395 68.79 0.367 4.29 8 68.7 14.6
213 4 5 3 34.4 68.8 0.367 4.29 8 84.2 21.9
214 7 1 1 34.421 68.841 0.367 4.29 8 19.5 1.2
215 2 14 0 34.448 68.896 0.367 4.28 4 44.0 3.0
216 7 4 0 34.553 69.105 0.368 4.25 4 15.1 0.4
217 1 14 1 34.587 69.174 0.368 4.25 8 108.6 36.0
218 5 10 1 34.643 69.285 0.369 4.23 8 38.6 4.5
219 2 12 2 34.661 69.322 0.369 4.23 8 280.4 238.9
220 7 2 1 34.698 69.396 0.37 4.22 8 23.8 1.7
221 6 4 2 34.735 69.47 0.37 4.21 8 35.5 3.8
222 0 0 4 34.92 69.84 0.372 4.16 2 446.5 149.1
223 0 1 4 35.012 70.024 0.372 4.14 4 223.7 74.4
224 4 10 2 35.057 70.115 0.373 4.13 8 116.2 40.1
225 3 13 1 35.066 70.133 0.373 4.13 8 26.8 2.1
226 5 8 2 35.078 70.156 0.373 4.13 8 71.4 15.1
227 2 9 3 35.11 70.221 0.373 4.12 8 108.2 34.7
228 7 3 1 35.159 70.317 0.374 4.11 8 8.4 0.2
229 0 2 4 35.287 70.575 0.375 4.08 4 17.7 0.5
230 4 12 1 35.358 70.715 0.376 4.06 8 46.2 6.2
231 1 1 4 35.381 70.763 0.376 4.06 8 141.2 58.1
232 3 8 3 35.397 70.794 0.376 4.05 8 83.8 20.4
233 6 8 1 35.404 70.807 0.376 4.05 8 55.3 8.9
234 4 6 3 35.413 70.826 0.376 4.05 8 6.6 0.1
235 0 13 2 35.479 70.958 0.377 4.03 4 73.4 7.8
236 5 1 3 35.525 71.05 0.377 4.02 8 39.5 4.5
237 6 5 2 35.562 71.123 0.378 4.01 8 143.0 59.0
238 1 2 4 35.656 71.311 0.378 3.99 8 14.6 0.6
239 2 14 1 35.696 71.391 0.379 3.99 8 106.7 32.6
240 1 10 3 35.744 71.488 0.379 3.97 8 14.1 0.6
241 0 3 4 35.744 71.489 0.379 3.97 4 99.4 14.1
242 7 4 1 35.799 71.597 0.38 3.96 8 4.7 0.1
243 5 2 3 35.799 71.598 0.38 3.96 8 63.4 11.5
244 1 13 2 35.846 71.692 0.38 3.95 8 18.4 1.0
245 1 3 4 36.111 72.221 0.383 3.9 8 51.9 7.6
246 5 3 3 36.253 72.506 0.384 3.87 8 18.0 0.9
247 3 14 0 36.291 72.582 0.384 3.86 4 159.3 35.2
248 0 4 4 36.38 72.76 0.385 3.84 4 88.8 10.9
249 7 6 0 36.382 72.764 0.385 3.84 4 303.5 127.1
250 2 0 4 36.389 72.779 0.385 3.84 4 0.9 0.0
251 2 1 4 36.48 72.96 0.386 3.82 8 54.4 8.1
252 3 12 2 36.499 72.999 0.386 3.82 8 90.4 22.4
253 5 11 1 36.56 73.121 0.387 3.8 8 98.0 26.3
254 6 6 2 36.561 73.121 0.387 3.8 8 316.9 274.5
255 4 7 3 36.595 73.189 0.387 3.8 8 73.0 14.5
256 7 5 1 36.615 73.229 0.387 3.79 8 35.1 3.4
257 5 9 2 36.626 73.252 0.387 3.79 8 61.6 10.3
258 1 4 4 36.744 73.488 0.388 3.77 8 120.0 39.0
259 2 2 4 36.751 73.501 0.388 3.77 8 132.5 47.5
260 2 10 3 36.838 73.676 0.389 3.75 8 64.6 11.3
261 5 4 3 36.885 73.771 0.39 3.74 8 68.7 12.7
262 2 13 2 36.939 73.878 0.39 3.73 8 133.4 47.7
263 3 9 3 36.939 73.879 0.39 3.73 8 85.0 19.4
264 6 9 1 36.946 73.892 0.39 3.73 8 7.0 0.1
265 4 11 2 36.966 73.932 0.39 3.73 8 52.0 7.3
266 0 5 4 37.191 74.383 0.392 3.68 4 100.9 13.5
267 2 3 4 37.2 74.401 0.392 3.68 8 164.3 71.5
268 1 15 1 37.226 74.452 0.393 3.68 8 96.4 24.6
269 5 12 0 37.408 74.816 0.394 3.65 4 58.9 4.5
270 6 10 0 37.433 74.865 0.395 3.64 4 25.3 0.8
271 3 14 1 37.513 75.026 0.395 3.63 8 30.2 2.4
272 1 5 4 37.552 75.104 0.396 3.62 8 148.3 57.2
273 7 6 1 37.603 75.206 0.396 3.61 8 83.4 18.0
274 4 13 1 37.618 75.236 0.396 3.61 8 123.3 39.4
275 1 11 3 37.639 75.277 0.396 3.6 8 33.1 2.8
276 5 5 3 37.692 75.385 0.397 3.6 8 0.3 0.0
277 6 7 2 37.728 75.456 0.397 3.59 8 59.5 9.1
278 2 4 4 37.827 75.653 0.398 3.57 8 72.5 13.5
279 0 14 2 37.915 75.83 0.399 3.56 4 32.3 1.3
280 4 8 3 37.94 75.88 0.399 3.55 8 16.6 0.7
281 7 1 2 38.114 76.227 0.401 3.53 8 2.1 0.0
282 0 6 4 38.174 76.348 0.401 3.52 4 149.4 28.2
283 1 14 2 38.273 76.546 0.402 3.5 8 4.1 0.0
284 3 1 4 38.283 76.566 0.402 3.5 8 28.2 2.0
285 2 15 1 38.304 76.608 0.402 3.49 8 72.4 13.1
286 5 10 2 38.327 76.654 0.403 3.49 8 235.6 139.3
287 7 2 2 38.38 76.761 0.403 3.48 8 203.2 103.4
288 0 16 0 38.422 76.843 0.403 3.48 2 278.7 48.5
289 1 6 4 38.531 77.063 0.404 3.46 8 6.5 0.1
290 3 2 4 38.549 77.099 0.405 3.46 8 63.4 10.0
291 8 0 0 38.564 77.129 0.405 3.45 2 145.1 13.1
292 5 12 1 38.617 77.234 0.405 3.45 8 69.4 11.9
293 2 5 4 38.627 77.254 0.405 3.44 8 52.9 6.9
294 3 10 3 38.635 77.271 0.405 3.44 8 83.0 17.0
295 6 10 1 38.642 77.283 0.405 3.44 8 17.9 0.8
296 5 6 3 38.671 77.342 0.406 3.44 8 74.1 13.5
297 2 11 3 38.713 77.425 0.406 3.43 8 44.7 4.9
298 3 13 2 38.735 77.469 0.406 3.43 8 14.3 0.5
299 7 7 1 38.759 77.518 0.406 3.42 8 56.5 7.9
300 1 16 0 38.778 77.557 0.407 3.42 4 49.8 3.1
301 4 14 0 38.812 77.624 0.407 3.42 4 237.1 69.0
302 7 3 2 38.824 77.647 0.407 3.42 8 108.6 28.9
303 7 8 0 38.885 77.77 0.407 3.41 4 127.7 19.9
304 8 2 0 38.918 77.837 0.408 3.4 4 168.5 34.7
305 3 3 4 38.992 77.984 0.408 3.39 8 63.7 9.9
306 4 12 2 39.015 78.031 0.409 3.39 8 125.0 38.0
307 6 8 2 39.06 78.12 0.409 3.38 8 114.1 31.6
308 0 7 4 39.325 78.65 0.411 3.34 4 71.3 6.1
309 2 14 2 39.342 78.684 0.412 3.34 8 45.0 4.9
310 6 0 3 39.402 78.804 0.412 3.33 4 65.9 5.2
311 7 4 2 39.441 78.883 0.412 3.33 8 102.5 25.1
312 4 9 3 39.446 78.892 0.412 3.33 8 42.7 4.4
313 6 1 3 39.49 78.98 0.413 3.32 8 24.5 1.4
314 2 6 4 39.598 79.196 0.414 3.31 8 152.4 55.2
315 3 4 4 39.609 79.218 0.414 3.31 8 98.8 23.2
316 1 12 3 39.677 79.353 0.414 3.3 8 49.9 5.9
317 1 7 4 39.679 79.359 0.414 3.3 8 24.4 1.4
318 6 2 3 39.754 79.508 0.415 3.29 8 10.1 0.2
319 8 0 1 39.763 79.525 0.415 3.29 4 53.4 3.4
320 5 7 3 39.818 79.635 0.416 3.28 8 84.3 16.7
321 2 16 0 39.843 79.686 0.416 3.27 4 348.3 142.7
322 8 1 1 39.85 79.701 0.416 3.27 8 38.2 3.4
323 1 16 1 39.975 79.95 0.417 3.26 8 30.7 2.2
324 8 4 0 39.976 79.951 0.417 3.26 4 99.1 11.5
325 4 14 1 40.008 80.016 0.417 3.25 8 21.1 1.0
326 3 15 1 40.08 80.161 0.418 3.24 8 36.5 3.1
327 7 8 1 40.081 80.162 0.418 3.24 8 10.4 0.3
328 8 2 1 40.114 80.228 0.418 3.24 8 21.6 1.1
329 5 11 2 40.179 80.359 0.419 3.23 8 18.8 0.8
330 6 3 3 40.193 80.386 0.419 3.23 8 18.5 0.8
331 7 5 2 40.232 80.464 0.419 3.23 8 18.2 0.8
332 3 5 4 40.399 80.798 0.421 3.21 8 103.8 24.8
333 0 15 2 40.475 80.949 0.421 3.2 4 36.3 1.5
334 3 11 3 40.484 80.968 0.421 3.2 8 3.0 0.0
335 6 11 1 40.49 80.98 0.421 3.2 8 8.7 0.2
336 8 3 1 40.552 81.104 0.422 3.19 8 30.7 2.2
337 6 9 2 40.554 81.108 0.422 3.19 8 69.3 11.0
338 0 8 4 40.642 81.284 0.423 3.18 4 77.6 6.9
339 4 0 4 40.677 81.354 0.423 3.17 4 159.9 29.1
340 2 12 3 40.735 81.471 0.424 3.17 8 5.1 0.1
341 2 7 4 40.738 81.476 0.424 3.17 8 100.3 22.9
342 4 1 4 40.764 81.529 0.424 3.16 8 145.5 48.1
343 6 4 3 40.806 81.611 0.424 3.16 8 6.1 0.1
344 5 13 1 40.816 81.632 0.424 3.16 8 100.1 22.7
345 1 15 2 40.827 81.653 0.424 3.16 8 50.2 5.7
346 1 8 4 40.993 81.987 0.426 3.14 8 156.8 55.5
347 4 2 4 41.026 82.053 0.426 3.14 8 67.6 10.3
348 2 16 1 41.032 82.063 0.426 3.13 8 25.1 1.4
349 3 14 2 41.106 82.212 0.427 3.13 8 37.6 3.2
350 4 10 3 41.111 82.222 0.427 3.13 8 47.7 5.1
351 5 8 3 41.131 82.261 0.427 3.12 8 48.8 5.3
352 8 4 1 41.163 82.326 0.427 3.12 8 42.0 4.0
353 7 6 2 41.194 82.388 0.428 3.12 8 153.6 52.8
354 4 13 2 41.209 82.417 0.428 3.12 8 31.8 2.3
355 6 12 0 41.313 82.626 0.429 3.11 4 143.7 23.0
356 3 6 4 41.36 82.72 0.429 3.1 8 76.5 13.0
357 4 3 4 41.462 82.924 0.43 3.09 8 47.7 5.1
358 7 9 1 41.566 83.132 0.431 3.08 8 75.6 12.6
359 6 5 3 41.59 83.181 0.431 3.08 8 19.8 0.9
360 3 16 0 41.603 83.205 0.431 3.08 4 39.4 1.7
361 8 6 0 41.723 83.446 0.432 3.06 4 12.0 0.2
362 1 13 3 41.862 83.724 0.433 3.05 8 86.4 16.4
363 2 15 2 41.879 83.758 0.433 3.05 8 5.1 0.1
364 8 5 1 41.947 83.894 0.434 3.04 8 87.5 16.7
365 5 14 0 41.985 83.971 0.434 3.04 4 104.0 11.8
366 7 10 0 42.038 84.076 0.435 3.03 4 185.3 37.4
367 2 8 4 42.045 84.09 0.435 3.03 8 64.9 9.2
368 4 4 4 42.071 84.142 0.435 3.03 8 119.2 31.0
369 0 9 4 42.123 84.246 0.435 3.03 4 71.5 5.6
370 5 12 2 42.186 84.371 0.436 3.02 8 49.0 5.2
371 6 10 2 42.21 84.419 0.436 3.02 8 22.4 1.1
372 7 7 2 42.325 84.649 0.437 3.01 8 34.3 2.5
373 1 9 4 42.473 84.945 0.438 3.0 8 109.3 25.7
374 3 12 3 42.487 84.975 0.438 3.0 8 43.4 4.1
375 3 7 4 42.49 84.98 0.438 3.0 8 75.3 12.2
376 6 12 1 42.494 84.987 0.438 2.99 8 81.9 14.4
377 4 15 1 42.537 85.074 0.439 2.99 8 83.1 14.8
378 6 6 3 42.546 85.092 0.439 2.99 8 5.5 0.1
379 5 9 3 42.609 85.218 0.439 2.99 8 6.4 0.1
380 3 16 1 42.782 85.563 0.441 2.97 8 25.7 1.4
381 1 17 1 42.851 85.702 0.441 2.97 8 107.7 24.7
382 4 5 4 42.852 85.704 0.441 2.97 8 97.3 20.2
383 8 6 1 42.902 85.803 0.442 2.96 8 86.6 15.9
384 2 13 3 42.91 85.82 0.442 2.96 8 45.4 4.4
385 4 11 3 42.936 85.872 0.442 2.96 8 72.7 11.3
386 5 14 1 43.163 86.326 0.444 2.94 8 37.7 3.0
387 0 16 2 43.172 86.343 0.444 2.94 4 105.5 11.8
388 7 10 1 43.215 86.431 0.444 2.94 8 24.5 1.3
389 8 0 2 43.311 86.622 0.445 2.93 4 169.0 30.1
390 8 1 2 43.398 86.795 0.446 2.92 8 77.6 12.7
391 2 9 4 43.519 87.038 0.447 2.92 8 102.7 22.1
392 1 16 2 43.52 87.04 0.447 2.92 8 58.6 7.2
393 4 14 2 43.553 87.106 0.447 2.91 8 172.1 62.0
394 3 15 2 43.624 87.248 0.448 2.91 8 16.7 0.6
395 7 8 2 43.625 87.249 0.448 2.91 8 87.3 15.9
396 8 2 2 43.657 87.314 0.448 2.91 8 143.3 42.9
397 6 7 3 43.672 87.345 0.448 2.91 8 11.9 0.3
398 0 10 4 43.77 87.54 0.449 2.9 4 20.0 0.4
399 3 8 4 43.789 87.579 0.449 2.9 8 46.5 4.5
400 4 6 4 43.805 87.609 0.449 2.9 8 33.5 2.3
401 2 17 1 43.896 87.793 0.45 2.89 8 58.8 7.2
402 5 1 4 43.911 87.821 0.45 2.89 8 48.2 4.8
403 8 7 1 44.027 88.054 0.451 2.88 8 104.4 22.6
404 6 11 2 44.029 88.058 0.451 2.88 8 121.6 30.6
405 4 16 0 44.046 88.091 0.451 2.88 4 37.7 1.5
406 7 1 3 44.047 88.093 0.451 2.88 8 34.3 2.4
407 8 3 2 44.09 88.179 0.452 2.88 8 21.7 1.0
408 1 10 4 44.118 88.236 0.452 2.88 8 28.6 1.7
409 8 8 0 44.15 88.3 0.452 2.88 4 39.6 1.6
410 5 2 4 44.17 88.34 0.452 2.87 8 109.6 24.8
411 1 14 3 44.202 88.404 0.453 2.87 8 117.7 28.6
412 5 10 3 44.254 88.508 0.453 2.87 8 72.6 10.9
413 7 2 3 44.306 88.612 0.453 2.87 8 36.5 2.7
414 5 13 2 44.351 88.702 0.454 2.86 8 46.0 4.4
415 0 18 0 44.357 88.714 0.454 2.86 2 68.3 2.4
416 2 16 2 44.565 89.129 0.455 2.85 8 178.5 65.3
417 5 3 4 44.602 89.205 0.456 2.85 8 167.4 57.3
418 3 13 3 44.651 89.303 0.456 2.85 8 25.9 1.4
419 6 13 1 44.658 89.315 0.456 2.85 8 42.2 3.6
420 8 4 2 44.695 89.39 0.457 2.84 8 59.4 7.2
421 1 18 0 44.705 89.41 0.457 2.84 4 53.1 2.9
422 7 3 3 44.738 89.477 0.457 2.84 8 41.7 3.6
423 9 2 0 44.879 89.757 0.458 2.83 4 74.0 5.6
424 4 12 3 44.926 89.852 0.458 2.83 8 12.3 0.3
425 4 7 4 44.929 89.857 0.458 2.83 8 41.7 3.5
426 6 8 3 44.969 89.939 0.459 2.83 8 49.3 4.9
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 2 0 4.455 8.911 9.916 188.9 11.2 11.3 5.6
2 0 4 0 8.938 17.875 4.958 713.8 42.3 42.4 5.6
3 2 0 0 8.966 17.932 4.9425 124.8 7.4 7.4 5.6
4 1 4 0 10.009 20.019 4.43179 1685.7 100.0 100.0 5.6
5 1 2 1 10.4 20.8 4.26708 59.3 3.5 3.5 5.6
6 1 3 1 11.556 23.112 3.84519 24.7 1.5 1.5 5.6
7 2 0 1 12.215 24.431 3.64051 372.8 22.1 22.0 5.6
8 2 4 0 12.712 25.425 3.50034 950.8 56.4 56.2 5.6
9 2 2 1 13.026 26.052 3.41747 410.1 24.3 24.2 5.6
10 0 6 0 13.476 26.952 3.30533 665.1 39.5 39.3 5.6
11 2 3 1 13.978 27.956 3.18892 152.3 9.0 9.0 5.6
12 3 2 0 14.261 28.522 3.12689 148.7 8.8 8.8 5.6
13 1 5 1 14.685 29.37 3.03848 44.5 2.6 2.6 5.6
14 2 4 1 15.218 30.437 2.93441 621.0 36.8 36.6 5.6
15 3 1 1 16.071 32.143 2.78244 890.8 52.8 52.4 5.6
16 2 6 0 16.281 32.562 2.74755 624.3 37.0 36.7 5.6
17 3 2 1 16.552 33.105 2.70376 229.2 13.6 13.5 5.6
18 0 0 2 16.632 33.263 2.69125 136.5 8.1 8.0 5.6
19 2 5 1 16.69 33.381 2.68205 335.8 19.9 19.7 5.7
20 0 2 2 17.252 34.503 2.59729 38.8 2.3 2.3 5.7
21 3 3 1 17.328 34.655 2.58625 745.9 44.2 43.7 5.7
22 1 1 2 17.408 34.815 2.57475 39.5 2.3 2.3 5.7
23 1 2 2 17.857 35.713 2.51202 27.7 1.6 1.6 5.7
24 0 3 2 18.001 36.001 2.49261 184.9 11.0 10.8 5.7
25 0 8 0 18.103 36.206 2.479 32.8 1.9 1.9 5.7
26 4 0 0 18.162 36.323 2.47125 304.1 18.0 17.8 5.7
27 3 4 1 18.365 36.73 2.44482 24.1 1.4 1.4 5.7
28 1 7 1 18.48 36.96 2.43011 68.4 4.1 4.0 5.7
29 1 8 0 18.684 37.367 2.40454 315.0 18.7 18.4 5.7
30 4 2 0 18.737 37.475 2.3979 253.8 15.1 14.8 5.7
31 0 4 2 19.006 38.012 2.36526 1172.7 69.6 68.5 5.7
32 2 1 2 19.16 38.319 2.34696 19.6 1.2 1.1 5.7
33 3 6 0 19.274 38.548 2.33356 119.1 7.1 7.0 5.7
34 1 4 2 19.564 39.128 2.30033 534.1 31.7 31.2 5.7
35 3 5 1 19.629 39.257 2.29303 423.3 25.1 24.7 5.7
36 4 0 1 20.058 40.117 2.24585 43.7 2.6 2.6 5.7
37 2 7 1 20.152 40.304 2.23586 230.4 13.7 13.4 5.7
38 2 3 2 20.249 40.498 2.2256 35.8 2.1 2.1 5.7
39 4 4 0 20.382 40.763 2.21173 107.2 6.4 6.3 5.7
40 4 2 1 20.589 41.178 2.19037 49.3 2.9 2.9 5.7
41 1 5 2 20.766 41.532 2.17255 96.8 5.7 5.6 5.7
42 2 4 2 21.164 42.327 2.13354 41.5 2.5 2.4 5.7
43 4 3 1 21.237 42.475 2.12648 101.8 6.0 5.9 5.7
44 0 6 2 21.66 43.319 2.08696 74.3 4.4 4.3 5.7
45 1 6 2 22.162 44.324 2.04195 85.3 5.1 5.0 5.7
46 3 7 1 22.71 45.42 1.99519 251.0 14.9 14.6 5.7
47 3 8 0 22.882 45.765 1.98096 22.0 1.3 1.3 5.7
48 4 5 1 23.213 46.425 1.95432 86.6 5.1 5.0 5.7
49 0 7 2 23.251 46.503 1.95124 53.3 3.2 3.1 5.7
50 1 10 0 23.337 46.674 1.94445 23.1 1.4 1.3 5.7
51 5 2 0 23.409 46.818 1.93884 144.6 8.6 8.4 5.7
52 2 6 2 23.619 47.237 1.9226 245.1 14.5 14.2 5.7
53 1 7 2 23.727 47.454 1.9143 45.7 2.7 2.6 5.7
54 2 9 1 24.118 48.235 1.88512 145.2 8.6 8.4 5.7
55 4 6 1 24.498 48.996 1.85762 73.1 4.3 4.2 5.7
56 2 10 0 24.74 49.48 1.84056 18.2 1.1 1.1 5.7
57 1 10 1 24.91 49.821 1.82878 48.5 2.9 2.8 5.7
58 5 2 1 24.978 49.957 1.82411 93.4 5.5 5.4 5.7
59 4 0 2 25.035 50.07 1.82025 168.2 10.0 9.7 5.7
60 2 7 2 25.114 50.227 1.81492 46.4 2.8 2.7 5.8
61 4 1 2 25.148 50.295 1.81263 37.5 2.2 2.2 5.8
62 1 8 2 25.441 50.882 1.79309 730.4 43.3 42.1 5.8
63 4 2 2 25.483 50.966 1.79034 152.7 9.1 8.8 5.8
64 3 6 2 25.906 51.812 1.76308 141.4 8.4 8.1 5.8
65 4 7 1 25.955 51.911 1.75996 149.8 8.9 8.6 5.8
66 2 10 1 26.25 52.501 1.74155 37.1 2.2 2.1 5.8
67 3 9 1 26.373 52.746 1.73404 67.1 4.0 3.9 5.8
68 4 4 2 26.794 53.589 1.70873 40.6 2.4 2.3 5.8
69 0 9 2 26.859 53.717 1.70495 78.4 4.7 4.5 5.8
70 5 6 0 27.0 54.001 1.69667 78.6 4.7 4.5 5.8
71 2 0 3 27.177 54.353 1.68649 173.6 10.3 10.0 5.8
72 1 11 1 27.211 54.421 1.68455 63.0 3.7 3.6 5.8
73 1 9 2 27.288 54.576 1.68015 88.0 5.2 5.0 5.8
74 4 8 1 27.568 55.136 1.66439 28.7 1.7 1.6 5.8
75 2 2 3 27.6 55.2 1.66261 29.3 1.7 1.7 5.8
76 6 0 0 27.875 55.75 1.6475 35.3 2.1 2.0 5.8
77 1 12 0 28.2 56.4 1.63004 110.9 6.6 6.3 5.8
78 6 2 0 28.291 56.583 1.62522 495.1 29.4 28.3 5.8
79 2 11 1 28.474 56.949 1.61564 117.1 6.9 6.7 5.8
80 3 8 2 28.87 57.74 1.59537 386.8 22.9 22.1 5.8
81 4 9 1 29.322 58.645 1.57289 135.1 8.0 7.7 5.8
82 3 1 3 29.366 58.732 1.57076 327.9 19.5 18.7 5.8
83 2 12 0 29.436 58.872 1.56737 133.0 7.9 7.6 5.8
84 6 4 0 29.517 59.034 1.56344 32.9 1.9 1.9 5.8
85 3 2 3 29.668 59.337 1.55619 77.4 4.6 4.4 5.8
86 4 10 0 29.868 59.736 1.54672 32.5 1.9 1.9 5.8
87 3 3 3 30.168 60.336 1.53277 152.3 9.0 8.7 5.8
88 2 10 2 30.465 60.931 1.51924 20.2 1.2 1.1 5.8
89 3 11 1 30.505 61.009 1.51747 17.0 1.0 1.0 5.8
90 3 9 2 30.576 61.153 1.51425 31.1 1.8 1.8 5.8
91 2 6 3 30.847 61.695 1.50224 70.2 4.2 4.0 5.8
92 1 7 3 30.938 61.876 1.49827 21.1 1.3 1.2 5.8
93 5 8 1 31.231 62.462 1.48562 91.5 5.4 5.2 5.8
94 3 12 0 31.428 62.856 1.47726 31.9 1.9 1.8 5.9
95 6 6 0 31.494 62.987 1.47449 86.3 5.1 4.9 5.9
96 3 5 3 31.736 63.472 1.46439 110.2 6.5 6.2 5.9
97 1 13 1 32.044 64.087 1.45181 80.4 4.8 4.5 5.9
98 2 7 3 32.109 64.218 1.44917 24.3 1.4 1.4 5.9
99 3 10 2 32.42 64.84 1.43676 177.5 10.5 10.0 5.9
100 5 6 2 32.458 64.917 1.43525 299.7 17.8 16.9 5.9
101 3 12 1 32.732 65.463 1.42458 22.3 1.3 1.3 5.9
102 3 6 3 32.789 65.579 1.42236 21.5 1.3 1.2 5.9
103 5 9 1 32.865 65.73 1.41946 23.3 1.4 1.3 5.9
104 0 14 0 32.94 65.88 1.41657 38.4 2.3 2.2 5.9
105 4 11 1 33.222 66.443 1.40593 151.0 9.0 8.5 5.9
106 1 14 0 33.32 66.641 1.40225 18.8 1.1 1.1 5.9
107 5 10 0 33.377 66.754 1.40014 126.7 7.5 7.1 5.9
108 4 4 3 33.561 67.122 1.39336 235.9 14.0 13.3 5.9
109 6 2 2 33.619 67.239 1.39122 202.1 12.0 11.4 5.9
110 5 7 2 33.687 67.374 1.38875 37.7 2.2 2.1 5.9
111 3 7 3 34.012 68.024 1.37706 69.8 4.1 3.9 5.9
112 4 5 3 34.4 68.8 1.36341 37.6 2.2 2.1 5.9
113 1 14 1 34.587 69.174 1.35695 36.0 2.1 2.0 5.9
114 2 12 2 34.661 69.322 1.35441 243.4 14.4 13.7 5.9
115 0 0 4 34.92 69.84 1.34563 149.1 8.8 8.4 5.9
116 0 1 4 35.012 70.024 1.34254 74.4 4.4 4.2 5.9
117 4 10 2 35.057 70.115 1.34103 57.3 3.4 3.2 5.9
118 2 9 3 35.11 70.221 1.33926 34.7 2.1 1.9 5.9
119 1 1 4 35.381 70.763 1.33032 93.8 5.6 5.2 5.9
120 6 5 2 35.562 71.123 1.32447 59.0 3.5 3.3 5.9
121 2 14 1 35.696 71.391 1.32015 32.6 1.9 1.8 5.9
122 3 14 0 36.291 72.582 1.3014 35.2 2.1 2.0 6.0
123 7 6 0 36.382 72.764 1.29859 138.0 8.2 7.7 6.0
124 3 12 2 36.499 72.999 1.29499 30.5 1.8 1.7 6.0
125 6 6 2 36.561 73.121 1.29313 300.7 17.8 16.7 6.0
126 4 7 3 36.595 73.189 1.29209 17.9 1.1 1.0 6.0
127 2 2 4 36.751 73.501 1.28738 86.5 5.1 4.8 6.0
128 2 13 2 36.939 73.878 1.28174 74.5 4.4 4.1 6.0
129 2 3 4 37.2 74.401 1.27403 109.5 6.5 6.1 6.0
130 1 5 4 37.552 75.104 1.26383 57.2 3.4 3.2 6.0
131 4 13 1 37.618 75.236 1.26194 60.3 3.6 3.3 6.0
132 0 6 4 38.174 76.348 1.2463 28.2 1.7 1.6 6.0
133 5 10 2 38.327 76.654 1.2421 154.4 9.2 8.5 6.0
134 7 2 2 38.38 76.761 1.24063 103.4 6.1 5.7 6.0
135 0 16 0 38.422 76.843 1.2395 48.5 2.9 2.7 6.0
136 8 0 0 38.564 77.129 1.23562 23.0 1.4 1.3 6.0
137 3 10 3 38.635 77.271 1.23371 36.7 2.2 2.0 6.0
138 4 14 0 38.812 77.624 1.22898 98.0 5.8 5.4 6.0
139 7 8 0 38.885 77.77 1.22703 19.9 1.2 1.1 6.0
140 8 2 0 38.918 77.837 1.22614 34.7 2.1 1.9 6.0
141 4 12 2 39.015 78.031 1.22358 47.9 2.8 2.6 6.0
142 6 8 2 39.06 78.12 1.22241 31.6 1.9 1.7 6.0
143 7 4 2 39.441 78.883 1.21249 29.5 1.7 1.6 6.0
144 2 6 4 39.598 79.196 1.20848 78.4 4.6 4.3 6.0
145 2 16 0 39.843 79.686 1.20227 162.9 9.7 8.9 6.0
146 3 5 4 40.399 80.798 1.18851 24.8 1.5 1.4 6.1
147 4 0 4 40.677 81.354 1.18179 29.1 1.7 1.6 6.1
148 4 1 4 40.764 81.529 1.17969 71.0 4.2 3.9 6.1
149 5 13 1 40.816 81.632 1.17847 28.5 1.7 1.6 6.1
150 1 8 4 40.993 81.987 1.17426 55.5 3.3 3.0 6.1
151 7 6 2 41.194 82.388 1.16956 55.1 3.3 3.0 6.1
152 6 12 0 41.313 82.626 1.16678 23.0 1.4 1.3 6.1
153 7 10 0 42.038 84.076 1.15032 46.6 2.8 2.5 6.1
154 4 4 4 42.071 84.142 1.14958 31.0 1.8 1.7 6.1
155 1 9 4 42.473 84.945 1.14075 56.4 3.3 3.1 6.1
156 1 17 1 42.851 85.702 1.13261 44.9 2.7 2.4 6.1
157 8 6 1 42.902 85.803 1.13153 20.3 1.2 1.1 6.1
158 8 0 2 43.311 86.622 1.12293 30.1 1.8 1.6 6.1
159 2 9 4 43.519 87.038 1.11863 29.3 1.7 1.6 6.1
160 4 14 2 43.553 87.106 1.11793 62.0 3.7 3.3 6.1
161 8 2 2 43.657 87.314 1.11579 43.2 2.6 2.3 6.2
162 6 11 2 44.029 88.058 1.10828 57.1 3.4 3.1 6.2
163 5 2 4 44.17 88.34 1.10547 26.4 1.6 1.4 6.2
164 1 14 3 44.202 88.404 1.10484 28.6 1.7 1.5 6.2
165 2 16 2 44.565 89.129 1.09771 65.3 3.9 3.5 6.2
166 5 3 4 44.602 89.205 1.09698 57.3 3.4 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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