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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CREEDITE
1, t-creedite
Ca(3)Al(2)(F,OH)(10)SO(4).2H(2)O
Monoclinic C 2/c Z = 4
C2/c
25 .4 .1989
Ref.Str.:
1. S.V.Borisov, F.A.Brusencev, R.F.Klevcova, N.V.Belov (1964)
* Dokl. Akad. Nauk SSSR, 155, 1082-1084
2. F.A.Brusencev, S.V.Borisov, R.F.Klevcova (1965)
* Zh. Struct. Khim. (in russian), 6, 567-570
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.03 alpha = 90.0
b = 8.51 beta = 94.5
c = 9.93 gamma = 90.0
Unit cell volume (cub. angs.) = 1181.94
Molar volume ( cub.cm/mol.) = 177.98
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2527 0.2816 0.8075 0.0 Ca = 1.00
2 0.5 0.527 0.25 0.0 Ca = 1.00
3 0.5 0.1571 0.25 0.0 S = 1.00
4 0.2984 0.6001 0.9875 0.0 Al = 1.00
5 0.1404 0.8822 0.8473 0.0 F = 1.00
6 0.0912 0.9534 0.0746 0.0 F = 1.00
7 0.2351 0.0982 0.9771 0.0 F = 1.00
8 0.0791 0.2421 0.8074 0.0 O = 1.00
9 0.0345 0.5602 0.1418 0.0 O = 1.00
10 0.0724 0.2559 0.1171 0.0 O = 1.00
11 0.2369 0.4396 0.3198 0.0 F = 1.00
12 0.1914 0.6889 0.063 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2527 0.2816 0.8075
2 2 0.5 0.527 0.25
3 3 0.5 0.1571 0.25
4 4 0.2984 0.6001 0.9875
5 5 0.1404 0.8822 0.8473
6 6 0.0912 0.9534 0.0746
7 7 0.2351 0.0982 0.9771
8 8 0.0791 0.2421 0.8074
9 9 0.0345 0.5602 0.1418
10 10 0.0724 0.2559 0.1171
11 11 0.2369 0.4396 0.3198
12 12 0.1914 0.6889 0.063
13 1 0.7473 0.7184 0.1925
14 2 0.5 0.473 0.75
15 3 0.5 0.8429 0.75
16 4 0.7016 0.3999 0.0125
17 5 0.8596 0.1178 0.1527
18 6 0.9088 0.0466 0.9254
19 7 0.7649 0.9018 0.0229
20 8 0.9209 0.7579 0.1926
21 9 0.9655 0.4398 0.8582
22 10 0.9276 0.7441 0.8829
23 11 0.7631 0.5604 0.6802
24 12 0.8086 0.3111 0.937
25 1 0.2527 0.7184 0.3075
26 4 0.2984 0.3999 0.4875
27 5 0.1404 0.1178 0.3473
28 6 0.0912 0.0466 0.5746
29 7 0.2351 0.9018 0.4771
30 8 0.0791 0.7579 0.3074
31 9 0.0345 0.4398 0.6418
32 10 0.0724 0.7441 0.6171
33 11 0.2369 0.5604 0.8198
34 12 0.1914 0.3111 0.563
35 1 0.7473 0.2816 0.6925
36 4 0.7016 0.6001 0.5125
37 5 0.8596 0.8822 0.6527
38 6 0.9088 0.9534 0.4254
39 7 0.7649 0.0982 0.5229
40 8 0.9209 0.2421 0.6926
41 9 0.9655 0.5602 0.3582
42 10 0.9276 0.2559 0.3829
43 11 0.7631 0.4396 0.1802
44 12 0.8086 0.6889 0.437
45 1 0.7527 0.2184 0.3075
46 2 0.0 0.973 0.75
47 3 0.0 0.3429 0.75
48 4 0.7984 0.8999 0.4875
49 5 0.6404 0.6178 0.3473
50 6 0.5912 0.5466 0.5746
51 7 0.7351 0.4018 0.4771
52 8 0.5791 0.2579 0.3074
53 9 0.5345 0.9398 0.6418
54 10 0.5724 0.2441 0.6171
55 11 0.7369 0.0604 0.8198
56 12 0.6914 0.8111 0.563
57 1 0.2473 0.7816 0.6925
58 2 0.0 0.027 0.25
59 3 0.0 0.6571 0.25
60 4 0.2016 0.1001 0.5125
61 5 0.3596 0.3822 0.6527
62 6 0.4088 0.4534 0.4254
63 7 0.2649 0.5982 0.5229
64 8 0.4209 0.7421 0.6926
65 9 0.4655 0.0602 0.3582
66 10 0.4276 0.7559 0.3829
67 11 0.2631 0.9396 0.1802
68 12 0.3086 0.1889 0.437
69 1 0.7527 0.7816 0.8075
70 4 0.7984 0.1001 0.9875
71 5 0.6404 0.3822 0.8473
72 6 0.5912 0.4534 0.0746
73 7 0.7351 0.5982 0.9771
74 8 0.5791 0.7421 0.8074
75 9 0.5345 0.0602 0.1418
76 10 0.5724 0.7559 0.1171
77 11 0.7369 0.9396 0.3198
78 12 0.6914 0.1889 0.063
79 1 0.2473 0.2184 0.1925
80 4 0.2016 0.8999 0.0125
81 5 0.3596 0.6178 0.1527
82 6 0.4088 0.5466 0.9254
83 7 0.2649 0.4018 0.0229
84 8 0.4209 0.2579 0.1926
85 9 0.4655 0.9398 0.8582
86 10 0.4276 0.2441 0.8829
87 11 0.2631 0.0604 0.6802
88 12 0.3086 0.8111 0.937
X-ray density (g/cm cub.) = 2.73
MU (1/cm) = 162.483 Mass attenuation coefficient (cm**2/g) = 59.482
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 8
2.3234 7
2.4586 8
2.3869 11
2.5238 12
2.3889 5
2.365 7
2.5289 10
2.2785 11
2 Ca 2.88 8
2.261 5
2.5887 8
2.3265 6
2.6035 10
2.3265 6
2.6035 10
2.261 5
2.5887 8
3 S 1.98 4
1.4809 8
1.4664 9
1.4664 9
1.4809 8
4 Al 2.316 6
1.8877 12
1.8456 11
1.7972 5
1.771 6
1.7939 7
1.8728 12
5 F 3.228 9
2.4865 6
2.5567 7
3.1974 8
2.7505 12
3.0779 6
2.6785 10
3.0765 11
2.9094 11
2.5295 12
6 F 3.228 9
2.4865 5
2.6151 7
2.6253 10
2.6611 12
2.9628 6
3.2076 8
3.0779 5
2.864 8
2.556 11
7 F 3.228 9
2.5567 5
2.6151 6
2.9242 8
3.0728 10
2.4329 11
2.6508 7
3.1792 10
3.0218 11
2.6936 12
8 O 3.264 9
3.1974 5
2.9242 7
3.0864 10
3.2076 6
2.3982 9
2.864 6
2.401 9
3.0524 12
2.4143 8
9 O 3.264 6
2.6588 10
2.6321 12
2.3982 8
3.0806 9
2.401 8
2.4251 9
10 O 3.264 7
2.6253 6
3.0728 7
3.0864 8
2.6588 9
3.2535 5
2.6785 5
3.1792 7
11 F 3.228 7
3.0765 5
2.7708 12
2.556 6
2.4329 7
2.5951 12
2.9094 5
3.0218 7
12 O 3.264 9
2.7505 5
2.6611 6
2.6321 9
3.0524 8
2.7708 11
2.5951 11
2.5295 5
2.6936 7
2.3819 12
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 6.082 12.164 0.069 175.19 4 90.1 406.8
2 2 0 0 6.324 12.647 0.071 161.89 2 134.1 416.8
3 1 1 -1 7.404 14.809 0.084 117.47 4 31.1 32.6
4 1 1 1 7.7 15.4 0.087 108.45 4 81.5 206.1
5 0 0 2 8.953 17.906 0.101 79.65 2 115.5 152.3
6 0 2 0 10.43 20.859 0.118 58.12 2 39.5 13.0
7 2 0 -2 10.572 21.144 0.119 56.51 2 102.3 84.6
8 1 1 -2 10.641 21.283 0.12 55.75 4 41.0 26.9
9 3 1 0 10.859 21.717 0.122 53.45 4 94.4 136.5
10 1 1 2 11.058 22.116 0.125 51.47 4 9.5 1.3
11 0 2 1 11.364 22.728 0.128 48.62 4 138.6 267.5
12 2 0 2 11.396 22.791 0.128 48.34 2 198.0 271.3
13 3 1 -1 11.468 22.935 0.129 47.71 4 65.9 59.3
14 3 1 1 12.047 24.094 0.135 43.03 4 58.0 41.4
15 2 2 0 12.234 24.468 0.138 41.67 4 98.8 116.3
16 4 0 0 12.726 25.452 0.143 38.35 2 299.9 493.9
17 2 2 -1 12.87 25.74 0.145 37.45 4 130.3 182.2
18 2 2 1 13.22 26.441 0.148 35.39 4 7.1 0.5
19 3 1 -2 13.648 27.295 0.153 33.08 4 130.1 160.3
20 0 2 2 13.811 27.623 0.155 32.25 4 91.5 77.3
21 1 1 -3 14.619 29.238 0.164 28.58 4 169.8 235.9
22 3 1 2 14.624 29.248 0.164 28.56 4 27.9 6.4
23 2 2 -2 14.936 29.872 0.167 27.29 4 85.1 56.6
24 4 0 -2 15.043 30.087 0.168 26.88 2 75.2 21.8
25 1 1 3 15.085 30.171 0.169 26.72 4 67.9 35.2
26 2 2 2 15.544 31.088 0.174 25.05 4 105.0 79.1
27 1 3 0 16.086 32.171 0.18 23.27 4 91.9 56.2
28 4 0 2 16.231 32.462 0.181 22.82 2 227.7 169.4
29 4 2 0 16.567 33.133 0.185 21.83 4 5.4 0.2
30 1 3 -1 16.656 33.311 0.186 21.58 4 134.0 111.0
31 1 3 1 16.796 33.591 0.188 21.19 4 118.1 84.6
32 3 1 -3 16.84 33.68 0.188 21.07 4 32.6 6.4
33 5 1 0 16.849 33.699 0.188 21.04 4 5.0 0.2
34 4 2 -1 16.916 33.832 0.189 20.86 4 33.0 6.5
35 5 1 -1 17.125 34.251 0.191 20.31 4 141.4 116.2
36 0 2 3 17.182 34.363 0.192 20.17 4 85.6 42.4
37 4 2 1 17.462 34.924 0.195 19.47 4 69.4 26.9
38 5 1 1 17.798 35.597 0.198 18.67 4 83.9 37.7
39 2 2 -3 17.987 35.974 0.2 18.25 4 42.1 9.3
40 3 1 3 18.053 36.105 0.201 18.1 4 121.5 76.6
41 0 0 4 18.134 36.268 0.202 17.92 2 87.6 19.7
42 1 3 -2 18.401 36.802 0.205 17.36 4 17.9 1.6
43 4 2 -2 18.448 36.896 0.205 17.26 4 80.9 32.3
44 3 3 0 18.533 37.067 0.206 17.09 4 98.8 47.8
45 5 1 -2 18.579 37.157 0.207 16.99 4 77.3 29.1
46 1 3 2 18.657 37.313 0.208 16.84 4 98.5 46.7
47 2 2 3 18.76 37.52 0.209 16.63 4 35.8 6.1
48 2 0 -4 18.778 37.557 0.209 16.6 2 95.4 21.6
49 3 3 -1 18.914 37.828 0.21 16.34 4 28.2 3.7
50 1 1 -4 18.945 37.891 0.211 16.28 4 17.9 1.5
51 3 3 1 19.288 38.575 0.214 15.65 4 108.1 52.4
52 6 0 0 19.295 38.59 0.214 15.63 2 150.6 50.7
53 1 1 4 19.442 38.884 0.216 15.37 4 100.2 44.2
54 4 2 2 19.452 38.903 0.216 15.35 4 61.7 16.8
55 2 0 4 19.768 39.535 0.22 14.82 2 213.2 96.4
56 5 1 2 19.819 39.639 0.22 14.73 4 24.4 2.5
57 3 3 -2 20.375 40.75 0.226 13.85 4 59.2 13.9
58 3 1 -4 20.643 41.287 0.229 13.45 4 182.9 128.9
59 6 0 -2 20.734 41.468 0.23 13.32 2 88.9 15.1
60 4 2 -3 20.939 41.879 0.232 13.03 4 83.3 25.9
61 5 1 -3 20.999 41.999 0.233 12.95 4 56.3 11.8
62 1 3 -3 21.07 42.139 0.233 12.85 4 279.3 287.1
63 3 3 2 21.073 42.147 0.233 12.85 4 155.2 88.6
64 0 2 4 21.104 42.208 0.234 12.8 4 42.8 6.7
65 0 4 0 21.227 42.453 0.235 12.64 2 51.6 4.8
66 1 3 3 21.412 42.824 0.237 12.39 4 62.3 13.8
67 4 0 -4 21.527 43.053 0.238 12.25 2 187.6 61.7
68 2 2 -4 21.674 43.347 0.24 12.06 4 1.7 0.0
69 0 4 1 21.736 43.471 0.24 11.98 4 106.4 38.8
70 3 1 4 22.008 44.017 0.243 11.65 4 116.4 45.2
71 6 0 2 22.094 44.188 0.244 11.55 2 96.8 15.5
72 6 2 0 22.134 44.268 0.245 11.5 4 124.6 51.1
73 2 4 0 22.237 44.474 0.246 11.38 4 81.5 21.6
74 4 2 3 22.29 44.579 0.246 11.32 4 66.8 14.5
75 6 2 -1 22.299 44.598 0.246 11.31 4 64.3 13.4
76 2 2 4 22.557 45.115 0.249 11.02 4 29.7 2.8
77 2 4 -1 22.62 45.24 0.25 10.95 4 228.0 163.1
78 5 1 3 22.673 45.347 0.25 10.9 4 164.8 84.7
79 3 3 -3 22.744 45.488 0.251 10.82 4 2.7 0.0
80 5 3 0 22.751 45.502 0.251 10.81 4 54.1 9.1
81 2 4 1 22.836 45.672 0.252 10.72 4 90.6 25.2
82 6 2 1 22.95 45.9 0.253 10.6 4 128.2 49.9
83 5 3 -1 22.967 45.933 0.253 10.58 4 59.4 10.7
84 0 4 2 23.209 46.418 0.256 10.34 4 157.7 73.6
85 4 0 4 23.276 46.553 0.257 10.27 2 188.8 52.4
86 7 1 0 23.328 46.655 0.257 10.22 4 8.9 0.2
87 6 2 -2 23.43 46.86 0.258 10.12 4 178.8 92.6
88 7 1 -1 23.434 46.867 0.258 10.11 4 107.4 33.4
89 5 3 1 23.498 46.996 0.259 10.05 4 44.5 5.7
90 1 1 -5 23.518 47.035 0.259 10.03 4 158.8 72.4
91 3 3 3 23.701 47.402 0.261 9.86 4 70.4 14.0
92 2 4 -2 23.947 47.894 0.263 9.63 4 172.3 81.8
93 1 1 5 24.04 48.08 0.264 9.54 4 22.1 1.3
94 5 3 -2 24.125 48.249 0.265 9.47 4 155.4 65.4
95 4 2 -4 24.152 48.304 0.266 9.44 4 5.5 0.1
96 5 1 -4 24.154 48.309 0.266 9.44 4 65.1 11.4
97 7 1 1 24.164 48.328 0.266 9.43 4 97.4 25.6
98 2 4 2 24.36 48.719 0.268 9.26 4 46.3 5.7
99 1 3 -4 24.423 48.845 0.268 9.21 4 163.9 70.8
100 7 1 -2 24.473 48.945 0.269 9.16 4 221.1 128.3
101 6 2 2 24.672 49.344 0.271 9.0 4 126.2 41.0
102 1 3 4 24.829 49.659 0.273 8.87 4 21.4 1.2
103 3 1 -5 24.862 49.724 0.273 8.84 4 130.3 43.0
104 4 4 0 25.075 50.151 0.275 8.67 4 42.2 4.4
105 5 3 2 25.142 50.283 0.276 8.62 4 45.3 5.1
106 4 4 -1 25.325 50.651 0.278 8.48 4 135.2 44.3
107 0 2 5 25.411 50.822 0.279 8.41 4 49.8 6.0
108 6 2 -3 25.427 50.853 0.279 8.4 4 120.0 34.6
109 0 4 3 25.518 51.035 0.28 8.33 4 32.9 2.6
110 4 4 1 25.722 51.444 0.282 8.18 4 38.3 3.4
111 4 2 4 25.764 51.527 0.282 8.15 4 36.8 3.2
112 2 2 -5 25.809 51.617 0.283 8.12 4 70.5 11.5
113 3 3 -4 25.83 51.66 0.283 8.1 4 55.6 7.2
114 6 0 -4 25.836 51.672 0.283 8.1 2 85.5 8.5
115 7 1 2 25.874 51.748 0.283 8.07 4 37.8 3.3
116 2 4 -3 26.109 52.219 0.286 7.91 4 32.6 2.4
117 5 3 -3 26.13 52.261 0.286 7.89 4 137.0 42.4
118 8 0 0 26.141 52.281 0.286 7.89 2 133.6 20.1
119 5 1 4 26.157 52.315 0.286 7.88 4 190.7 82.0
120 3 1 5 26.345 52.69 0.288 7.75 4 14.4 0.5
121 7 1 -3 26.362 52.725 0.288 7.74 4 12.6 0.4
122 4 4 -2 26.454 52.908 0.289 7.68 4 113.4 28.3
123 2 4 3 26.69 53.379 0.292 7.52 4 45.3 4.4
124 2 2 5 26.779 53.557 0.292 7.47 4 39.4 3.3
125 3 3 4 26.991 53.981 0.295 7.33 4 128.6 34.7
126 8 0 -2 27.103 54.207 0.296 7.26 2 241.2 60.5
127 1 5 0 27.124 54.247 0.296 7.25 4 15.0 0.5
128 6 2 3 27.173 54.345 0.296 7.22 4 86.8 15.6
129 4 4 2 27.219 54.438 0.297 7.19 4 131.2 35.4
130 1 5 -1 27.502 55.004 0.3 7.03 4 4.6 0.0
131 5 3 3 27.565 55.129 0.3 6.99 4 179.0 64.1
132 1 5 1 27.596 55.192 0.301 6.97 4 36.9 2.7
133 0 0 6 27.831 55.662 0.303 6.84 2 89.1 7.8
134 5 1 -5 27.873 55.746 0.303 6.82 4 146.3 41.8
135 4 2 -5 27.918 55.835 0.304 6.79 4 5.4 0.1
136 2 0 -6 28.112 56.224 0.306 6.68 2 230.6 50.9
137 6 0 4 28.124 56.247 0.306 6.68 2 73.0 5.1
138 7 3 0 28.134 56.269 0.306 6.67 4 61.1 7.1
139 6 2 -4 28.158 56.316 0.306 6.66 4 3.5 0.0
140 7 3 -1 28.227 56.454 0.307 6.62 4 41.3 3.2
141 1 3 -5 28.301 56.601 0.308 6.58 4 134.7 34.2
142 1 1 -6 28.327 56.654 0.308 6.57 4 6.2 0.1
143 7 1 3 28.345 56.69 0.308 6.56 4 76.1 10.9
144 4 4 -3 28.387 56.775 0.309 6.54 4 34.8 2.3
145 8 2 0 28.445 56.891 0.309 6.51 4 28.0 1.5
146 8 2 -1 28.491 56.983 0.31 6.48 4 62.2 7.2
147 0 4 4 28.519 57.038 0.31 6.47 4 59.3 6.5
148 8 0 2 28.596 57.192 0.311 6.43 2 195.5 35.2
149 1 5 -2 28.708 57.416 0.312 6.37 4 5.4 0.1
150 1 3 5 28.76 57.52 0.312 6.35 4 119.2 25.8
151 3 5 0 28.802 57.604 0.313 6.33 4 140.1 35.6
152 5 3 -4 28.861 57.722 0.313 6.3 4 123.4 27.5
153 7 3 1 28.87 57.739 0.313 6.29 4 36.6 2.4
154 1 1 6 28.877 57.754 0.313 6.29 4 86.2 13.4
155 1 5 2 28.89 57.781 0.314 6.28 4 100.5 18.2
156 2 4 -4 28.978 57.956 0.314 6.24 4 55.2 5.4
157 7 1 -4 28.987 57.974 0.315 6.24 4 7.7 0.1
158 3 5 -1 29.075 58.151 0.315 6.19 4 74.1 9.7
159 7 3 -2 29.143 58.285 0.316 6.16 4 75.1 10.0
160 2 0 6 29.211 58.421 0.317 6.13 2 224.6 44.3
161 8 2 1 29.221 58.441 0.317 6.12 4 98.0 16.9
162 3 5 1 29.347 58.693 0.318 6.07 4 41.2 2.9
163 6 4 0 29.352 58.704 0.318 6.06 4 135.9 32.0
164 8 2 -2 29.357 58.713 0.318 6.06 4 32.4 1.8
165 3 1 -6 29.424 58.849 0.319 6.03 4 85.0 12.5
166 4 4 3 29.479 58.959 0.319 6.0 4 72.6 9.1
167 6 4 -1 29.487 58.975 0.32 6.0 4 115.2 22.8
168 3 3 -5 29.489 58.977 0.32 6.0 4 42.3 3.1
169 2 4 4 29.699 59.399 0.322 5.91 4 30.7 1.6
170 4 2 5 29.742 59.484 0.322 5.89 4 112.1 21.2
171 4 0 -6 30.023 60.047 0.325 5.76 2 63.2 3.3
172 6 4 1 30.024 60.048 0.325 5.76 4 97.7 15.7
173 0 2 6 30.049 60.097 0.325 5.75 4 33.8 1.9
174 5 1 5 30.145 60.289 0.326 5.71 4 43.6 3.1
175 3 5 -2 30.152 60.304 0.326 5.71 4 22.9 0.9
176 9 1 0 30.255 60.51 0.327 5.67 4 73.3 8.7
177 9 1 -1 30.255 60.51 0.327 5.67 4 67.9 7.5
178 2 2 -6 30.316 60.633 0.328 5.64 4 7.8 0.1
179 6 2 4 30.328 60.655 0.328 5.64 4 39.4 2.5
180 7 3 2 30.394 60.788 0.328 5.61 4 83.8 11.3
181 6 4 -2 30.423 60.846 0.329 5.6 4 46.8 3.5
182 5 3 4 30.65 61.299 0.331 5.5 4 6.5 0.1
183 1 5 -3 30.679 61.358 0.331 5.49 4 43.5 3.0
184 3 5 2 30.682 61.363 0.331 5.49 4 70.5 7.8
185 8 2 2 30.778 61.557 0.332 5.45 4 3.0 0.0
186 3 3 5 30.819 61.638 0.333 5.44 4 214.8 71.8
187 7 3 -3 30.835 61.669 0.333 5.43 4 192.1 57.4
188 1 5 3 30.942 61.883 0.334 5.39 4 116.4 20.9
189 8 2 -3 30.998 61.996 0.334 5.37 4 114.4 20.1
190 3 1 6 31.019 62.038 0.335 5.36 4 106.4 17.4
191 4 4 -4 31.03 62.06 0.335 5.36 4 22.5 0.8
192 9 1 1 31.046 62.091 0.335 5.35 4 50.6 3.9
193 9 1 -2 31.046 62.092 0.335 5.35 4 10.3 0.2
194 8 0 -4 31.272 62.544 0.337 5.26 2 4.4 0.0
195 2 2 6 31.367 62.734 0.338 5.23 4 77.0 8.9
196 7 1 4 31.468 62.936 0.339 5.19 4 88.4 11.6
197 6 4 2 31.471 62.943 0.339 5.19 4 86.8 11.2
198 6 2 -5 31.509 63.018 0.339 5.18 4 91.4 12.4
199 3 5 -3 31.984 63.967 0.344 5.01 4 33.3 1.6
200 5 5 0 31.989 63.979 0.344 5.01 4 63.1 5.7
201 5 1 -6 32.063 64.126 0.345 4.98 4 62.9 5.6
202 0 4 5 32.104 64.208 0.345 4.97 4 78.0 8.7
203 4 0 6 32.116 64.231 0.345 4.97 2 137.9 13.5
204 6 4 -3 32.117 64.235 0.345 4.97 4 55.7 4.4
205 4 2 -6 32.147 64.294 0.345 4.96 4 50.9 3.7
206 5 5 -1 32.161 64.321 0.346 4.95 4 114.9 18.7
207 5 3 -5 32.21 64.42 0.346 4.94 4 80.5 9.2
208 7 1 -5 32.243 64.486 0.346 4.92 4 113.9 18.3
209 4 4 4 32.409 64.817 0.348 4.87 4 98.0 13.4
210 2 4 -5 32.447 64.895 0.348 4.86 4 27.8 1.1
211 5 5 1 32.587 65.173 0.35 4.81 4 96.0 12.7
212 9 1 2 32.594 65.188 0.35 4.81 4 83.1 9.5
213 9 1 -3 32.595 65.19 0.35 4.81 4 70.7 6.9
214 1 3 -6 32.627 65.253 0.35 4.8 4 145.6 29.1
215 7 3 3 32.643 65.287 0.35 4.79 4 67.3 6.2
216 3 5 3 32.751 65.501 0.351 4.76 4 98.7 13.3
217 0 6 0 32.894 65.788 0.353 4.72 2 147.4 14.7
218 8 2 3 33.055 66.11 0.354 4.67 4 23.4 0.7
219 5 5 -2 33.095 66.189 0.354 4.66 4 93.5 11.6
220 1 3 6 33.134 66.268 0.355 4.64 4 105.4 14.8
221 7 3 -4 33.236 66.471 0.356 4.61 4 85.5 9.7
222 0 6 1 33.273 66.547 0.356 4.6 4 51.6 3.5
223 2 4 5 33.292 66.585 0.356 4.6 4 18.6 0.5
224 1 5 -4 33.338 66.676 0.357 4.58 4 82.6 9.0
225 8 2 -4 33.35 66.701 0.357 4.58 4 44.5 2.6
226 6 0 -6 33.395 66.789 0.357 4.57 2 153.1 15.3
227 1 1 -7 33.41 66.82 0.357 4.56 4 38.0 1.9
228 10 0 0 33.417 66.833 0.357 4.56 2 19.3 0.2
229 6 4 3 33.639 67.278 0.36 4.5 4 82.7 8.8
230 3 3 -6 33.64 67.281 0.36 4.5 4 8.6 0.1
231 2 6 0 33.652 67.304 0.36 4.49 4 115.6 17.2
232 1 5 4 33.673 67.346 0.36 4.49 4 106.7 14.6
233 5 5 2 33.931 67.863 0.362 4.42 4 148.7 27.9
234 2 6 -1 33.944 67.887 0.362 4.41 4 57.9 4.2
235 8 0 4 33.988 67.975 0.363 4.4 2 133.5 11.2
236 1 1 7 33.994 67.989 0.363 4.4 4 79.3 7.9
237 6 2 5 34.049 68.098 0.363 4.39 4 16.3 0.3
238 10 0 -2 34.084 68.169 0.364 4.38 2 34.0 0.7
239 2 6 1 34.11 68.22 0.364 4.37 4 3.0 0.0
240 4 2 6 34.167 68.334 0.365 4.35 4 67.0 5.6
241 4 4 -5 34.298 68.596 0.366 4.32 4 7.7 0.1
242 5 3 5 34.311 68.621 0.366 4.32 4 36.0 1.6
243 3 1 -7 34.329 68.659 0.366 4.31 4 7.3 0.1
244 0 6 2 34.398 68.797 0.367 4.29 4 58.5 4.2
245 9 3 0 34.413 68.827 0.367 4.29 4 50.1 3.1
246 9 3 -1 34.413 68.827 0.367 4.29 4 22.9 0.6
247 3 5 -4 34.507 69.013 0.368 4.27 4 111.4 15.2
248 6 4 -4 34.512 69.023 0.368 4.27 4 56.2 3.9
249 5 1 6 34.582 69.164 0.368 4.25 4 18.4 0.4
250 5 5 -3 34.759 69.519 0.37 4.2 4 54.8 3.6
251 8 4 0 34.768 69.536 0.37 4.2 4 19.4 0.5
252 8 4 -1 34.81 69.619 0.371 4.19 4 120.0 17.3
253 9 1 3 34.848 69.697 0.371 4.18 4 44.4 2.4
254 9 1 -4 34.85 69.699 0.371 4.18 4 5.4 0.0
255 2 6 -2 34.977 69.953 0.372 4.15 4 27.4 0.9
256 0 2 7 35.028 70.055 0.373 4.14 4 74.9 6.6
257 3 3 6 35.129 70.257 0.374 4.11 4 54.5 3.5
258 9 3 1 35.154 70.307 0.374 4.11 4 65.9 5.1
259 9 3 -2 35.154 70.308 0.374 4.11 4 119.3 16.7
260 7 1 5 35.165 70.331 0.374 4.11 4 94.8 10.6
261 2 2 -7 35.193 70.386 0.374 4.1 4 36.2 1.5
262 2 6 2 35.304 70.608 0.375 4.07 4 23.7 0.7
263 10 2 -1 35.39 70.779 0.376 4.05 4 31.2 1.1
264 6 2 -6 35.409 70.818 0.376 4.05 4 17.0 0.3
265 10 2 0 35.43 70.861 0.376 4.04 4 89.1 9.2
266 8 4 1 35.464 70.929 0.377 4.04 4 23.0 0.6
267 3 5 4 35.491 70.981 0.377 4.03 4 15.0 0.3
268 7 3 4 35.551 71.101 0.377 4.02 4 141.0 22.9
269 8 4 -2 35.587 71.174 0.378 4.01 4 11.5 0.2
270 10 0 2 35.727 71.453 0.379 3.98 2 121.7 8.4
271 4 6 0 35.878 71.756 0.38 3.95 4 19.9 0.4
272 4 4 5 35.936 71.871 0.381 3.93 4 30.5 1.1
273 5 5 3 35.984 71.968 0.381 3.92 4 60.4 4.1
274 8 2 4 35.987 71.973 0.381 3.92 4 19.8 0.4
275 3 1 7 36.048 72.095 0.382 3.91 4 60.1 4.0
276 7 1 -6 36.062 72.125 0.382 3.91 4 14.5 0.2
277 10 2 -2 36.081 72.162 0.382 3.9 4 56.3 3.5
278 4 6 -1 36.081 72.162 0.382 3.9 4 193.4 41.8
279 5 3 -6 36.112 72.224 0.383 3.9 4 100.1 11.2
280 10 2 1 36.202 72.404 0.383 3.88 4 23.0 0.6
281 0 4 6 36.214 72.428 0.383 3.87 4 65.0 4.7
282 0 6 3 36.237 72.475 0.384 3.87 4 51.8 3.0
283 7 3 -5 36.282 72.564 0.384 3.86 4 11.4 0.1
284 2 2 7 36.331 72.661 0.385 3.85 4 50.0 2.8
285 8 2 -5 36.352 72.704 0.385 3.85 4 30.6 1.0
286 6 0 6 36.353 72.705 0.385 3.85 2 96.7 5.1
287 4 6 1 36.404 72.808 0.385 3.84 4 56.2 3.5
288 2 4 -6 36.458 72.916 0.386 3.82 4 43.6 2.1
289 6 4 4 36.468 72.936 0.386 3.82 4 36.8 1.5
290 7 5 0 36.477 72.955 0.386 3.82 4 56.9 3.5
291 7 5 -1 36.558 73.116 0.387 3.8 4 39.2 1.7
292 9 3 2 36.614 73.229 0.387 3.79 4 24.9 0.7
293 9 3 -3 36.615 73.231 0.387 3.79 4 179.3 34.9
294 1 5 -5 36.622 73.245 0.387 3.79 4 38.4 1.6
295 5 1 -7 36.7 73.4 0.388 3.78 4 57.7 3.6
296 2 6 -3 36.723 73.445 0.388 3.77 4 5.4 0.0
297 4 2 -7 36.819 73.637 0.389 3.75 4 175.9 33.2
298 8 4 2 36.88 73.76 0.39 3.74 4 26.5 0.8
299 4 6 -2 37.008 74.015 0.391 3.72 4 100.1 10.7
300 1 5 5 37.024 74.048 0.391 3.72 4 105.7 11.9
301 8 4 -3 37.081 74.163 0.391 3.7 4 49.4 2.6
302 5 5 -4 37.113 74.225 0.392 3.7 4 78.2 6.5
303 7 5 1 37.12 74.24 0.392 3.7 4 43.2 2.0
304 2 6 3 37.204 74.407 0.392 3.68 4 52.4 2.9
305 7 5 -2 37.361 74.721 0.394 3.65 4 17.1 0.3
306 1 3 -7 37.39 74.78 0.394 3.65 4 29.3 0.9
307 2 4 6 37.42 74.841 0.394 3.64 4 65.5 4.5
308 10 2 -3 37.488 74.975 0.395 3.63 4 49.4 2.5
309 6 4 -5 37.552 75.103 0.396 3.62 4 0.4 0.0
310 4 6 2 37.647 75.294 0.396 3.6 4 21.5 0.5
311 10 0 -4 37.659 75.318 0.397 3.6 2 76.9 3.1
312 3 5 -5 37.666 75.333 0.397 3.6 4 56.6 3.3
313 10 2 2 37.686 75.372 0.397 3.6 4 43.1 1.9
314 11 1 -1 37.692 75.385 0.397 3.6 4 29.3 0.9
315 9 1 4 37.758 75.515 0.397 3.58 4 100.2 10.3
316 9 1 -5 37.759 75.518 0.397 3.58 4 122.4 15.4
317 11 1 0 37.772 75.544 0.398 3.58 4 46.4 2.2
318 1 3 7 37.947 75.895 0.399 3.55 4 22.8 0.5
319 8 0 -6 38.045 76.089 0.4 3.54 2 8.4 0.0
320 4 4 -6 38.142 76.283 0.401 3.52 4 0.6 0.0
321 3 3 -7 38.268 76.536 0.402 3.5 4 25.6 0.7
322 6 2 6 38.3 76.6 0.402 3.5 4 61.6 3.8
323 11 1 -2 38.328 76.656 0.403 3.49 4 54.0 2.9
324 7 5 2 38.473 76.946 0.404 3.47 4 133.4 17.7
325 0 0 8 38.498 76.996 0.404 3.46 2 4.5 0.0
326 5 3 6 38.51 77.02 0.404 3.46 4 72.7 5.2
327 11 1 1 38.565 77.13 0.405 3.45 4 174.9 30.2
328 2 0 -8 38.579 77.157 0.405 3.45 2 121.7 7.3
329 4 6 -3 38.639 77.278 0.405 3.44 4 18.4 0.3
330 5 5 4 38.702 77.405 0.406 3.43 4 35.5 1.2
331 0 6 4 38.752 77.504 0.406 3.43 4 29.2 0.8
332 9 3 3 38.766 77.532 0.406 3.42 4 128.7 16.2
333 9 3 -4 38.767 77.534 0.406 3.42 4 49.9 2.4
334 1 1 -8 38.841 77.683 0.407 3.41 4 15.5 0.2
335 3 5 5 38.855 77.71 0.407 3.41 4 72.3 5.1
336 7 5 -3 38.869 77.738 0.407 3.41 4 123.3 14.8
337 8 4 3 38.987 77.974 0.408 3.39 4 60.9 3.6
338 4 2 7 39.044 78.088 0.409 3.38 4 4.6 0.0
339 7 3 5 39.071 78.141 0.409 3.38 4 61.2 3.6
340 2 6 -4 39.148 78.296 0.41 3.37 4 105.1 10.7
341 8 4 -4 39.264 78.527 0.411 3.35 4 30.4 0.9
342 7 1 6 39.408 78.815 0.412 3.33 4 26.6 0.7
343 1 1 8 39.471 78.942 0.413 3.32 4 24.2 0.6
344 6 6 0 39.473 78.946 0.413 3.32 4 156.7 23.4
345 5 1 7 39.478 78.957 0.413 3.32 4 6.2 0.0
346 1 7 0 39.494 78.987 0.413 3.32 4 2.7 0.0
347 8 2 5 39.532 79.064 0.413 3.32 4 1.4 0.0
348 4 6 3 39.584 79.168 0.414 3.31 4 37.1 1.3
349 10 2 -4 39.584 79.169 0.414 3.31 4 89.4 7.6
350 6 6 -1 39.591 79.181 0.414 3.31 4 58.9 3.3
351 3 1 -8 39.631 79.262 0.414 3.3 4 71.3 4.8
352 11 1 -3 39.668 79.336 0.414 3.3 4 24.9 0.6
353 2 6 4 39.776 79.552 0.415 3.28 4 156.3 23.0
354 1 7 -1 39.807 79.615 0.416 3.28 4 9.2 0.1
355 2 0 8 39.837 79.675 0.416 3.28 2 175.7 14.5
356 6 2 -7 39.838 79.675 0.416 3.28 4 11.2 0.1
357 10 2 3 39.858 79.715 0.416 3.27 4 48.2 2.2
358 1 7 1 39.886 79.771 0.416 3.27 4 30.4 0.9
359 6 4 5 39.92 79.841 0.417 3.26 4 40.8 1.6
360 3 3 7 39.921 79.843 0.417 3.26 4 14.3 0.2
361 7 3 -6 39.936 79.871 0.417 3.26 4 3.6 0.0
362 8 2 -6 39.965 79.929 0.417 3.26 4 91.2 7.8
363 4 4 6 40.031 80.063 0.418 3.25 4 45.8 2.0
364 11 1 2 40.059 80.118 0.418 3.25 4 4.6 0.0
365 6 6 1 40.061 80.121 0.418 3.25 4 34.1 1.1
366 4 0 -8 40.077 80.154 0.418 3.25 2 12.3 0.1
367 5 5 -5 40.118 80.235 0.418 3.24 4 58.5 3.2
368 0 2 8 40.412 80.823 0.421 3.2 4 100.6 9.3
369 6 6 -2 40.413 80.826 0.421 3.2 4 90.6 7.5
370 7 1 -7 40.427 80.855 0.421 3.2 4 50.6 2.3
371 2 2 -8 40.491 80.983 0.421 3.2 4 56.2 2.9
372 1 5 -6 40.5 81.0 0.422 3.19 4 12.7 0.1
373 7 5 3 40.515 81.031 0.422 3.19 4 23.9 0.5
374 5 3 -7 40.553 81.106 0.422 3.19 4 134.7 16.6
375 10 0 4 40.806 81.612 0.424 3.16 2 181.0 14.8
376 1 7 -2 40.823 81.646 0.424 3.16 4 68.3 4.2
377 0 4 7 40.846 81.693 0.425 3.15 4 109.3 10.8
378 3 7 0 40.904 81.807 0.425 3.15 4 0.4 0.0
379 4 6 -4 40.952 81.904 0.425 3.14 4 10.4 0.1
380 1 5 6 40.968 81.935 0.426 3.14 4 58.2 3.0
381 1 7 2 40.979 81.958 0.426 3.14 4 68.1 4.2
382 2 4 -7 41.004 82.007 0.426 3.14 4 73.0 4.8
383 7 5 -4 41.062 82.124 0.426 3.13 4 101.5 9.2
384 3 7 -1 41.137 82.274 0.427 3.12 4 59.6 3.2
385 10 4 -1 41.191 82.381 0.427 3.12 4 10.8 0.1
386 6 4 -6 41.209 82.418 0.428 3.12 4 53.5 2.6
387 10 4 0 41.229 82.459 0.428 3.11 4 41.8 1.6
388 9 1 5 41.293 82.586 0.428 3.11 4 47.6 2.0
389 9 1 -6 41.295 82.59 0.428 3.11 4 0.9 0.0
390 6 6 2 41.347 82.694 0.429 3.1 4 60.7 3.3
391 12 0 0 41.366 82.732 0.429 3.1 2 149.6 9.9
392 3 7 1 41.37 82.741 0.429 3.1 4 0.8 0.0
393 3 5 -6 41.437 82.875 0.43 3.09 4 27.4 0.7
394 3 1 8 41.503 83.006 0.43 3.09 4 0.6 0.0
395 11 3 -1 41.518 83.036 0.43 3.08 4 18.4 0.3
396 9 3 4 41.582 83.164 0.431 3.08 4 48.3 2.1
397 9 3 -5 41.583 83.167 0.431 3.08 4 13.3 0.2
398 11 3 0 41.596 83.191 0.431 3.08 4 141.1 17.5
399 11 1 -4 41.696 83.392 0.432 3.07 4 48.5 2.1
400 2 2 8 41.736 83.472 0.432 3.06 4 47.6 2.0
401 8 4 4 41.761 83.521 0.432 3.06 4 99.6 8.7
402 8 0 6 41.805 83.609 0.433 3.06 2 1.4 0.0
403 5 1 -8 41.82 83.64 0.433 3.06 4 79.9 5.6
404 12 0 -2 41.832 83.664 0.433 3.05 2 96.7 4.1
405 10 4 -2 41.851 83.702 0.433 3.05 4 9.0 0.1
406 0 6 5 41.918 83.835 0.434 3.05 4 48.8 2.1
407 6 6 -3 41.93 83.86 0.434 3.04 4 17.7 0.3
408 10 4 1 41.967 83.934 0.434 3.04 4 85.5 6.4
409 4 2 -8 41.973 83.946 0.434 3.04 4 96.8 8.2
410 5 5 5 42.062 84.125 0.435 3.03 4 116.1 11.7
411 3 7 -2 42.069 84.138 0.435 3.03 4 93.5 7.6
412 2 4 7 42.09 84.181 0.435 3.03 4 137.1 16.3
413 8 4 -5 42.111 84.222 0.435 3.03 4 69.3 4.2
414 11 3 -2 42.139 84.278 0.436 3.03 4 43.3 1.6
415 9 5 0 42.159 84.317 0.436 3.02 4 2.3 0.0
416 9 5 -1 42.159 84.318 0.436 3.02 4 80.6 5.6
417 4 6 4 42.194 84.388 0.436 3.02 4 38.7 1.3
418 2 6 -5 42.229 84.458 0.436 3.02 4 72.4 4.5
419 11 1 3 42.237 84.475 0.436 3.02 4 63.6 3.5
420 10 2 -5 42.35 84.699 0.437 3.01 4 48.7 2.0
421 11 3 1 42.371 84.741 0.437 3.01 4 8.1 0.1
422 1 7 -3 42.531 85.062 0.439 2.99 4 108.5 10.1
423 3 7 2 42.533 85.067 0.439 2.99 4 45.3 1.8
424 4 4 -7 42.56 85.119 0.439 2.99 4 136.8 16.0
425 4 0 8 42.564 85.128 0.439 2.99 2 25.3 0.3
426 1 3 -8 42.641 85.283 0.44 2.98 4 55.6 2.6
427 10 2 4 42.696 85.392 0.44 2.98 4 5.0 0.0
428 1 7 3 42.763 85.526 0.441 2.97 4 34.9 1.0
429 3 5 6 42.831 85.663 0.441 2.97 4 84.3 6.0
430 9 5 1 42.855 85.71 0.441 2.97 4 76.0 4.9
431 9 5 -2 42.855 85.711 0.441 2.97 4 31.4 0.8
432 6 0 -8 42.958 85.917 0.442 2.96 2 232.1 22.8
433 2 6 5 43.002 86.005 0.443 2.95 4 10.8 0.1
434 6 2 7 43.1 86.201 0.444 2.95 4 45.9 1.8
435 12 2 -1 43.137 86.273 0.444 2.94 4 61.6 3.2
436 7 3 6 43.197 86.394 0.444 2.94 4 70.2 4.1
437 10 4 -3 43.205 86.411 0.444 2.94 4 68.3 3.9
438 7 5 4 43.231 86.461 0.445 2.94 4 74.6 4.7
439 12 2 0 43.252 86.504 0.445 2.94 4 70.4 4.2
440 1 3 8 43.259 86.519 0.445 2.93 4 22.0 0.4
441 5 3 7 43.267 86.533 0.445 2.93 4 14.1 0.2
442 6 6 3 43.322 86.643 0.445 2.93 4 55.9 2.6
443 10 4 2 43.398 86.795 0.446 2.92 4 15.6 0.2
444 3 3 -8 43.417 86.834 0.446 2.92 4 65.2 3.6
445 11 3 -3 43.454 86.907 0.446 2.92 4 114.2 10.9
446 12 0 2 43.687 87.375 0.448 2.9 2 231.3 22.2
447 8 2 6 43.689 87.377 0.448 2.9 4 33.7 0.9
448 3 7 -3 43.693 87.385 0.448 2.9 4 3.2 0.0
449 5 7 0 43.698 87.395 0.448 2.9 4 0.1 0.0
450 12 2 -2 43.716 87.432 0.449 2.9 4 87.7 6.4
451 5 5 -6 43.764 87.528 0.449 2.9 4 30.5 0.8
452 11 3 2 43.838 87.677 0.45 2.89 4 68.7 3.9
453 5 7 -1 43.852 87.704 0.45 2.89 4 89.3 6.6
454 10 0 -6 43.906 87.812 0.45 2.89 2 141.5 8.3
455 7 5 -5 43.926 87.853 0.45 2.89 4 138.2 15.8
456 4 6 -5 43.933 87.867 0.45 2.89 4 14.0 0.2
457 6 4 6 43.994 87.988 0.451 2.88 4 37.3 1.1
458 12 2 1 44.062 88.125 0.451 2.88 4 2.0 0.0
459 6 6 -4 44.133 88.265 0.452 2.88 4 50.0 2.1
460 8 2 -7 44.192 88.384 0.452 2.87 4 33.9 0.9
461 7 3 -7 44.202 88.404 0.453 2.87 4 97.6 7.8
462 7 1 7 44.222 88.445 0.453 2.87 4 102.9 8.7
463 5 7 1 44.237 88.475 0.453 2.87 4 40.0 1.3
464 9 5 2 44.244 88.489 0.453 2.87 4 156.9 20.2
465 9 5 -3 44.245 88.49 0.453 2.87 4 102.0 8.5
466 8 6 0 44.373 88.745 0.454 2.86 4 38.3 1.2
467 3 7 3 44.386 88.773 0.454 2.86 4 18.1 0.3
468 11 1 -5 44.402 88.803 0.454 2.86 4 74.8 4.6
469 8 6 -1 44.411 88.823 0.454 2.86 4 32.7 0.9
470 4 2 8 44.445 88.889 0.455 2.86 4 97.3 7.7
471 5 7 -2 44.7 89.401 0.457 2.84 4 34.2 1.0
472 4 4 7 44.72 89.44 0.457 2.84 4 54.1 2.4
473 1 1 -9 44.747 89.495 0.457 2.84 4 12.5 0.1
474 6 2 -8 44.838 89.676 0.458 2.84 4 22.5 0.4
475 5 1 8 44.909 89.817 0.458 2.83 4 95.9 7.5
476 1 7 -4 44.924 89.847 0.458 2.83 4 57.1 2.6
477 12 2 -3 44.988 89.977 0.459 2.83 4 20.3 0.3
478 1 5 -7 44.99 89.979 0.459 2.83 4 76.3 4.7
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 0 6.082 12.164 7.27008 406.8 82.4 83.1 5.6
2 2 0 0 6.324 12.647 6.99338 416.8 84.4 85.1 5.6
3 1 1 -1 7.404 14.809 5.9771 32.6 6.6 6.6 5.6
4 1 1 1 7.7 15.4 5.74887 206.1 41.7 42.0 5.6
5 0 0 2 8.953 17.906 4.94969 152.3 30.8 31.0 5.6
6 0 2 0 10.43 20.859 4.255 13.0 2.6 2.6 5.6
7 2 0 -2 10.572 21.144 4.19846 84.6 17.1 17.2 5.6
8 1 1 -2 10.641 21.283 4.17135 26.9 5.4 5.5 5.6
9 3 1 0 10.859 21.717 4.08883 136.5 27.6 27.7 5.6
10 0 2 1 11.364 22.728 3.90919 267.5 54.2 54.3 5.6
11 2 0 2 11.396 22.791 3.89849 271.3 54.9 55.0 5.6
12 3 1 -1 11.468 22.935 3.87439 59.3 12.0 12.0 5.6
13 3 1 1 12.047 24.094 3.69062 41.4 8.4 8.4 5.6
14 2 2 0 12.234 24.468 3.63504 116.3 23.6 23.6 5.6
15 4 0 0 12.726 25.452 3.49669 493.9 100.0 100.0 5.6
16 2 2 -1 12.87 25.74 3.4582 182.2 36.9 36.9 5.6
17 3 1 -2 13.648 27.295 3.26457 160.3 32.5 32.4 5.6
18 0 2 2 13.811 27.623 3.22664 77.3 15.6 15.6 5.6
19 1 1 -3 14.619 29.238 3.05198 242.3 49.0 48.9 5.6
20 2 2 -2 14.936 29.872 2.98855 56.6 11.5 11.4 5.6
21 4 0 -2 15.043 30.087 2.96776 21.8 4.4 4.4 5.6
22 1 1 3 15.085 30.171 2.95969 35.2 7.1 7.1 5.6
23 2 2 2 15.544 31.088 2.87444 79.1 16.0 16.0 5.6
24 1 3 0 16.086 32.171 2.78007 56.2 11.4 11.3 5.6
25 4 0 2 16.231 32.462 2.75585 169.4 34.3 34.1 5.6
26 1 3 -1 16.656 33.311 2.68746 111.0 22.5 22.3 5.6
27 1 3 1 16.796 33.591 2.66573 84.6 17.1 17.0 5.7
28 3 1 -3 16.84 33.68 2.65885 6.6 1.3 1.3 5.7
29 4 2 -1 16.916 33.832 2.64728 6.5 1.3 1.3 5.7
30 5 1 -1 17.125 34.251 2.61588 116.2 23.5 23.4 5.7
31 0 2 3 17.182 34.363 2.60756 42.4 8.6 8.5 5.7
32 4 2 1 17.462 34.924 2.56699 26.9 5.4 5.4 5.7
33 5 1 1 17.798 35.597 2.51999 37.7 7.6 7.6 5.7
34 2 2 -3 17.987 35.974 2.4944 9.3 1.9 1.9 5.7
35 3 1 3 18.053 36.105 2.48565 76.6 15.5 15.4 5.7
36 0 0 4 18.134 36.268 2.47485 19.7 4.0 4.0 5.7
37 4 2 -2 18.448 36.896 2.43417 32.3 6.5 6.5 5.7
38 3 3 0 18.533 37.067 2.42336 47.8 9.7 9.6 5.7
39 5 1 -2 18.579 37.157 2.41765 29.1 5.9 5.8 5.7
40 1 3 2 18.657 37.313 2.40792 46.7 9.5 9.4 5.7
41 2 0 -4 18.778 37.557 2.39286 27.7 5.6 5.6 5.7
42 3 3 1 19.288 38.575 2.33199 103.1 20.9 20.6 5.7
43 1 1 4 19.442 38.884 2.31421 60.9 12.3 12.2 5.7
44 2 0 4 19.768 39.535 2.27754 96.4 19.5 19.3 5.7
45 3 3 -2 20.375 40.75 2.21242 13.9 2.8 2.8 5.7
46 3 1 -4 20.643 41.287 2.18487 128.9 26.1 25.7 5.7
47 6 0 -2 20.734 41.468 2.17577 15.1 3.1 3.0 5.7
48 4 2 -3 20.939 41.879 2.15535 25.9 5.2 5.2 5.7
49 5 1 -3 20.999 41.999 2.14947 11.8 2.4 2.3 5.7
50 1 3 -3 21.07 42.139 2.14262 375.7 76.1 74.9 5.7
51 0 2 4 21.104 42.208 2.1393 6.7 1.4 1.3 5.7
52 1 3 3 21.412 42.824 2.10994 13.8 2.8 2.7 5.7
53 4 0 -4 21.527 43.053 2.09923 61.7 12.5 12.3 5.7
54 0 4 1 21.736 43.471 2.08001 38.8 7.9 7.7 5.7
55 3 1 4 22.008 44.017 2.0555 45.2 9.1 9.0 5.7
56 6 0 2 22.094 44.188 2.04791 15.5 3.1 3.1 5.7
57 6 2 0 22.134 44.268 2.04442 51.1 10.3 10.2 5.7
58 2 4 0 22.237 44.474 2.0354 21.6 4.4 4.3 5.7
59 4 2 3 22.29 44.579 2.03086 27.9 5.6 5.5 5.7
60 2 4 -1 22.62 45.24 2.00273 163.1 33.0 32.4 5.7
61 5 1 3 22.673 45.347 1.99824 84.7 17.1 16.8 5.7
62 5 3 0 22.751 45.502 1.99178 9.1 1.8 1.8 5.7
63 2 4 1 22.836 45.672 1.98477 25.2 5.1 5.0 5.7
64 6 2 1 22.95 45.9 1.97542 60.6 12.3 12.0 5.7
65 0 4 2 23.209 46.418 1.95459 73.6 14.9 14.6 5.7
66 4 0 4 23.276 46.553 1.94924 52.4 10.6 10.4 5.7
67 6 2 -2 23.43 46.86 1.9372 126.0 25.5 25.0 5.7
68 1 1 -5 23.518 47.035 1.93037 78.1 15.8 15.5 5.7
69 3 3 3 23.701 47.402 1.91629 14.0 2.8 2.8 5.7
70 2 4 -2 23.947 47.894 1.89776 81.8 16.6 16.2 5.7
71 5 3 -2 24.125 48.249 1.88461 65.5 13.3 13.0 5.7
72 7 1 1 24.164 48.328 1.88171 37.1 7.5 7.3 5.7
73 2 4 2 24.36 48.719 1.86751 5.7 1.2 1.1 5.7
74 1 3 -4 24.423 48.845 1.86299 70.8 14.3 14.0 5.7
75 7 1 -2 24.473 48.945 1.85941 128.3 26.0 25.4 5.7
76 6 2 2 24.672 49.344 1.84531 41.0 8.3 8.1 5.7
77 3 1 -5 24.862 49.724 1.8321 43.0 8.7 8.5 5.7
78 5 3 2 25.142 50.283 1.81304 5.1 1.0 1.0 5.8
79 4 4 -1 25.325 50.651 1.80073 44.3 9.0 8.8 5.8
80 6 2 -3 25.427 50.853 1.79405 40.6 8.2 8.0 5.8
81 2 2 -5 25.809 51.617 1.76928 27.2 5.5 5.4 5.8
82 5 1 4 26.157 52.315 1.74731 146.9 29.8 29.0 5.8
83 4 4 -2 26.454 52.908 1.7291 28.3 5.7 5.6 5.8
84 3 3 4 26.991 53.981 1.69724 34.7 7.0 6.8 5.8
85 8 0 -2 27.103 54.207 1.69071 61.0 12.3 12.0 5.8
86 6 2 3 27.173 54.345 1.68671 15.6 3.2 3.1 5.8
87 4 4 2 27.219 54.438 1.68405 35.4 7.2 7.0 5.8
88 5 3 3 27.565 55.129 1.66457 64.1 13.0 12.6 5.8
89 0 0 6 27.831 55.662 1.6499 7.8 1.6 1.5 5.8
90 5 1 -5 27.873 55.746 1.64761 41.8 8.5 8.2 5.8
91 2 0 -6 28.112 56.224 1.63473 63.1 12.8 12.4 5.8
92 1 3 -5 28.301 56.601 1.62472 34.3 6.9 6.7 5.8
93 7 1 3 28.345 56.69 1.62238 10.9 2.2 2.1 5.8
94 8 2 -1 28.491 56.983 1.61475 13.7 2.8 2.7 5.8
95 8 0 2 28.596 57.192 1.60935 35.2 7.1 6.9 5.8
96 1 3 5 28.76 57.52 1.60095 25.8 5.2 5.1 5.8
97 3 5 0 28.802 57.604 1.5988 35.6 7.2 7.0 5.8
98 5 3 -4 28.861 57.722 1.59583 43.3 8.8 8.5 5.8
99 1 5 2 28.89 57.781 1.59434 18.2 3.7 3.6 5.8
100 2 4 -4 28.978 57.956 1.58994 5.6 1.1 1.1 5.8
101 3 5 -1 29.075 58.151 1.58507 9.7 2.0 1.9 5.8
102 7 3 -2 29.143 58.285 1.58173 10.0 2.0 1.9 5.8
103 2 0 6 29.211 58.421 1.57838 61.1 12.4 12.0 5.8
104 6 4 0 29.352 58.704 1.57144 36.8 7.5 7.2 5.8
105 3 1 -6 29.424 58.849 1.56793 12.5 2.5 2.4 5.8
106 6 4 -1 29.487 58.975 1.56487 34.9 7.1 6.8 5.8
107 4 2 5 29.742 59.484 1.55269 21.2 4.3 4.1 5.8
108 6 4 1 30.024 60.048 1.53945 20.9 4.2 4.1 5.8
109 9 1 0 30.255 60.51 1.5288 16.2 3.3 3.2 5.8
110 7 3 2 30.394 60.788 1.52245 14.8 3.0 2.9 5.8
111 3 5 2 30.682 61.363 1.50956 10.8 2.2 2.1 5.8
112 3 3 5 30.819 61.638 1.50348 129.2 26.2 25.1 5.8
113 1 5 3 30.942 61.883 1.49812 20.9 4.2 4.1 5.8
114 8 2 -3 30.998 61.996 1.49567 37.5 7.6 7.3 5.8
115 2 2 6 31.367 62.734 1.47984 8.9 1.8 1.7 5.9
116 7 1 4 31.468 62.936 1.47557 22.8 4.6 4.4 5.9
117 6 2 -5 31.509 63.018 1.47384 12.4 2.5 2.4 5.9
118 5 5 0 31.989 63.979 1.45402 7.3 1.5 1.4 5.9
119 5 1 -6 32.063 64.126 1.45102 5.6 1.1 1.1 5.9
120 4 0 6 32.116 64.231 1.44891 26.6 5.4 5.2 5.9
121 5 5 -1 32.161 64.321 1.44709 22.4 4.5 4.3 5.9
122 5 3 -5 32.21 64.42 1.44512 9.2 1.9 1.8 5.9
123 7 1 -5 32.243 64.486 1.44379 18.3 3.7 3.5 5.9
124 4 4 4 32.409 64.817 1.43722 13.4 2.7 2.6 5.9
125 5 5 1 32.587 65.173 1.43022 29.1 5.9 5.6 5.9
126 1 3 -6 32.627 65.253 1.42866 35.3 7.2 6.8 5.9
127 3 5 3 32.751 65.501 1.42385 13.3 2.7 2.6 5.9
128 0 6 0 32.894 65.788 1.41833 14.7 3.0 2.8 5.9
129 5 5 -2 33.095 66.189 1.41071 11.6 2.4 2.2 5.9
130 1 3 6 33.134 66.268 1.40923 14.8 3.0 2.9 5.9
131 7 3 -4 33.236 66.471 1.40541 9.7 2.0 1.9 5.9
132 1 5 -4 33.338 66.676 1.40158 11.6 2.3 2.2 5.9
133 6 0 -6 33.395 66.789 1.39949 17.5 3.5 3.4 5.9
134 2 6 0 33.652 67.304 1.39003 40.7 8.2 7.8 5.9
135 5 5 2 33.931 67.863 1.37993 32.2 6.5 6.2 5.9
136 8 0 4 33.988 67.975 1.37792 19.2 3.9 3.7 5.9
137 4 2 6 34.167 68.334 1.37157 5.6 1.1 1.1 5.9
138 0 6 2 34.398 68.797 1.36346 7.9 1.6 1.5 5.9
139 3 5 -4 34.507 69.013 1.35972 19.0 3.9 3.7 5.9
140 8 4 -1 34.81 69.619 1.34936 17.3 3.5 3.3 5.9
141 0 2 7 35.028 70.055 1.34202 6.6 1.3 1.3 5.9
142 9 3 -2 35.154 70.308 1.33781 37.5 7.6 7.2 5.9
143 10 2 0 35.43 70.861 1.32873 9.2 1.9 1.8 5.9
144 7 3 4 35.551 71.101 1.32482 22.9 4.6 4.4 5.9
145 10 0 2 35.727 71.453 1.31916 8.4 1.7 1.6 5.9
146 4 6 -1 36.081 72.162 1.30794 45.3 9.2 8.7 5.9
147 5 3 -6 36.112 72.224 1.30697 11.2 2.3 2.1 5.9
148 0 4 6 36.214 72.428 1.30378 7.7 1.6 1.5 5.9
149 6 0 6 36.353 72.705 1.2995 8.9 1.8 1.7 6.0
150 7 5 0 36.477 72.955 1.29567 7.1 1.4 1.4 6.0
151 9 3 -3 36.615 73.231 1.29146 36.5 7.4 7.0 6.0
152 4 2 -7 36.819 73.637 1.28533 33.2 6.7 6.3 6.0
153 1 5 5 37.024 74.048 1.27922 22.6 4.6 4.3 6.0
154 5 5 -4 37.113 74.225 1.2766 8.4 1.7 1.6 6.0
155 3 5 -5 37.666 75.333 1.26056 8.3 1.7 1.6 6.0
156 9 1 -5 37.759 75.518 1.25792 27.9 5.6 5.3 6.0
157 6 2 6 38.3 76.6 1.24283 6.7 1.4 1.3 6.0
158 7 5 2 38.473 76.946 1.2381 17.7 3.6 3.3 6.0
159 5 3 6 38.51 77.02 1.2371 5.2 1.1 1.0 6.0
160 11 1 1 38.565 77.13 1.23561 37.6 7.6 7.1 6.0
161 9 3 3 38.766 77.532 1.23021 18.7 3.8 3.5 6.0
162 7 5 -3 38.869 77.738 1.22746 19.9 4.0 3.8 6.0
163 2 6 -4 39.148 78.296 1.2201 10.7 2.2 2.0 6.0
164 6 6 0 39.473 78.946 1.21168 23.4 4.7 4.4 6.0
165 6 6 -1 39.591 79.181 1.20866 12.2 2.5 2.3 6.0
166 2 6 4 39.776 79.552 1.20396 23.0 4.7 4.3 6.0
167 2 0 8 39.837 79.675 1.20242 16.8 3.4 3.2 6.0
168 8 2 -6 39.965 79.929 1.19923 7.8 1.6 1.5 6.0
169 0 2 8 40.412 80.823 1.1882 19.2 3.9 3.6 6.1
170 5 3 -7 40.553 81.106 1.18477 16.6 3.4 3.1 6.1
171 10 0 4 40.806 81.612 1.1787 19.0 3.9 3.6 6.1
172 0 4 7 40.846 81.693 1.17774 10.8 2.2 2.0 6.1
173 1 7 2 40.979 81.958 1.1746 12.0 2.4 2.2 6.1
174 7 5 -4 41.062 82.124 1.17265 9.2 1.9 1.7 6.1
175 12 0 0 41.366 82.732 1.16556 13.2 2.7 2.5 6.1
176 11 3 0 41.596 83.191 1.16029 19.8 4.0 3.7 6.1
177 8 4 4 41.761 83.521 1.15654 10.7 2.2 2.0 6.1
178 5 1 -8 41.82 83.64 1.15521 9.7 2.0 1.8 6.1
179 4 2 -8 41.973 83.946 1.15176 14.5 2.9 2.7 6.1
180 2 4 7 42.09 84.181 1.14915 41.4 8.4 7.7 6.1
181 9 5 -1 42.159 84.318 1.14764 5.6 1.1 1.0 6.1
182 2 6 -5 42.229 84.458 1.14608 8.0 1.6 1.5 6.1
183 4 4 -7 42.56 85.119 1.13887 27.9 5.6 5.2 6.1
184 3 5 6 42.831 85.663 1.13303 11.8 2.4 2.2 6.1
185 6 0 -8 42.958 85.917 1.13032 22.8 4.6 4.2 6.1
186 7 3 6 43.197 86.394 1.1253 8.1 1.6 1.5 6.1
187 7 5 4 43.231 86.461 1.1246 9.2 1.9 1.7 6.1
188 11 3 -3 43.454 86.907 1.11997 10.9 2.2 2.0 6.1
189 12 0 2 43.687 87.375 1.11518 29.6 6.0 5.5 6.2
190 5 7 -1 43.852 87.704 1.11184 10.5 2.1 1.9 6.2
191 7 5 -5 43.926 87.853 1.11034 24.3 4.9 4.5 6.2
192 9 5 -3 44.245 88.49 1.10398 46.6 9.4 8.6 6.2
193 11 1 -5 44.402 88.803 1.1009 6.1 1.2 1.1 6.2
194 4 2 8 44.445 88.889 1.10006 7.7 1.6 1.4 6.2
195 5 1 8 44.909 89.817 1.09108 10.1 2.0 1.9 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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