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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ZOISITE
9, t-zoisite, syn
[Ca(1.74)Sr(0.26)]Al(3)[Si(3)O(12)]OH
Orthorhombic P nma Z = 4
Pnma
24 .1 .13
Ref.Str.:
Dorsam G., Liebscher A., Franz G., Gottschalk M. (2007)
* Amer. Mineral., 92, 1133-1147
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 16.2023 alpha = 90.0
b = 5.5512 beta = 90.0
c = 10.0589 gamma = 90.0
Unit cell volume (cub. angs.) = 904.72
Molar volume ( cub.cm/mol.) = 136.24
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3663 0.25 0.4369 0.0 Ca = 0.96, Sr = 0.04
2 0.4534 0.25 0.1125 0.0 Ca = 0.78, Sr = 0.22
3 0.2492 0.9968 0.1883 0.0 Al = 1.00
4 0.1081 0.75 0.295 0.0 Al = 1.00
5 0.0825 0.25 0.1012 0.0 Si = 1.00
6 0.4114 0.75 0.2794 0.0 Si = 1.00
7 0.1589 0.25 0.4316 0.0 Si = 1.00
8 0.129 0.002 0.1476 0.0 O = 1.00
9 0.1029 0.012 0.426 0.0 O = 1.00
10 0.3598 0.99 0.2428 0.0 O = 1.00
11 0.2201 0.75 0.298 0.0 O = 1.00
12 0.2286 0.25 0.315 0.0 O = 1.00
13 0.2739 0.75 0.059 0.0 O = 1.00
14 0.9915 0.25 0.161 0.0 O = 1.00
15 0.001 0.75 0.293 0.0 O = 1.00
16 0.4205 0.75 0.444 0.0 O = 1.00
17 0.2669 0.25 0.078 0.0 O = 1.00
18 0.26 0.25 0.95 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3663 0.25 0.4369
2 2 0.4534 0.25 0.1125
3 3 0.2492 0.9968 0.1883
4 4 0.1081 0.75 0.295
5 5 0.0825 0.25 0.1012
6 6 0.4114 0.75 0.2794
7 7 0.1589 0.25 0.4316
8 8 0.129 0.002 0.1476
9 9 0.1029 0.012 0.426
10 10 0.3598 0.99 0.2428
11 11 0.2201 0.75 0.298
12 12 0.2286 0.25 0.315
13 13 0.2739 0.75 0.059
14 14 0.9915 0.25 0.161
15 15 0.001 0.75 0.293
16 16 0.4205 0.75 0.444
17 17 0.2669 0.25 0.078
18 18 0.26 0.25 0.95
19 1 0.1337 0.75 0.9369
20 2 0.0466 0.75 0.6125
21 3 0.2508 0.0032 0.6883
22 4 0.3919 0.25 0.795
23 5 0.4175 0.75 0.6012
24 6 0.0886 0.25 0.7794
25 7 0.3411 0.75 0.9316
26 8 0.371 0.998 0.6476
27 9 0.3971 0.988 0.926
28 10 0.1402 0.01 0.7428
29 11 0.2799 0.25 0.798
30 12 0.2714 0.75 0.815
31 13 0.2261 0.25 0.559
32 14 0.5085 0.75 0.661
33 15 0.499 0.25 0.793
34 16 0.0795 0.25 0.944
35 17 0.2331 0.75 0.578
36 18 0.24 0.75 0.45
37 3 0.2508 0.4968 0.6883
38 8 0.371 0.502 0.6476
39 9 0.3971 0.512 0.926
40 10 0.1402 0.49 0.7428
41 3 0.2492 0.5032 0.1883
42 8 0.129 0.498 0.1476
43 9 0.1029 0.488 0.426
44 10 0.3598 0.51 0.2428
45 1 0.8663 0.25 0.0631
46 2 0.9534 0.25 0.3875
47 3 0.7492 0.9968 0.3117
48 4 0.6081 0.75 0.205
49 5 0.5825 0.25 0.3988
50 6 0.9114 0.75 0.2206
51 7 0.6589 0.25 0.0684
52 8 0.629 0.002 0.3524
53 9 0.6029 0.012 0.074
54 10 0.8598 0.99 0.2572
55 11 0.7201 0.75 0.202
56 12 0.7286 0.25 0.185
57 13 0.7739 0.75 0.441
58 14 0.4915 0.25 0.339
59 15 0.501 0.75 0.207
60 16 0.9205 0.75 0.056
61 17 0.7669 0.25 0.422
62 18 0.76 0.25 0.55
63 1 0.6337 0.75 0.5631
64 2 0.5466 0.75 0.8875
65 3 0.7508 0.0032 0.8117
66 4 0.8919 0.25 0.705
67 5 0.9175 0.75 0.8988
68 6 0.5886 0.25 0.7206
69 7 0.8411 0.75 0.5684
70 8 0.871 0.998 0.8524
71 9 0.8971 0.988 0.574
72 10 0.6402 0.01 0.7572
73 11 0.7799 0.25 0.702
74 12 0.7714 0.75 0.685
75 13 0.7261 0.25 0.941
76 14 0.0085 0.75 0.839
77 15 0.999 0.25 0.707
78 16 0.5795 0.25 0.556
79 17 0.7331 0.75 0.922
80 18 0.74 0.75 0.05
81 3 0.7508 0.4968 0.8117
82 8 0.871 0.502 0.8524
83 9 0.8971 0.512 0.574
84 10 0.6402 0.49 0.7572
85 3 0.7492 0.5032 0.3117
86 8 0.629 0.498 0.3524
87 9 0.6029 0.488 0.074
88 10 0.8598 0.51 0.2572
X-ray density (g/cm cub.) = 3.43
MU (1/cm) = 187.721 Mass attenuation coefficient (cm**2/g) = 54.803
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Sr 3.072 9
2.4303 10
2.5458 12
2.9121 16
2.9121 16
2.5406 8
2.5823 13
2.5406 8
2.4303 10
2.2549 14
2 Ca ,Sr 3.072 10
2.47 10
3.0416 17
2.543 9
2.543 9
2.47 10
2.7862 9
2.3605 14
3.0335 15
3.0335 15
2.7862 9
3 Al 2.316 6
1.9903 8
1.8743 10
1.8212 11
1.9265 12
1.931 13
1.8135 17
4 Al 2.316 6
2.0664 8
1.9644 9
1.8149 11
1.7354 15
2.0664 8
1.9644 9
5 Si 2.1 4
1.6373 8
1.5924 14
1.582 16
1.6373 8
6 Si 2.1 4
1.6154 10
1.6622 16
1.6154 10
1.6242 15
7 Si 2.1 4
1.6037 9
1.6282 12
1.6816 13
1.6037 9
8 O 3.264 10
2.8327 9
2.5346 11
2.7083 12
2.8745 13
2.6223 14
2.8978 15
2.7162 17
2.5948 16
2.7534 8
2.7978 8
9 O 3.264 9
2.8327 8
2.7164 11
2.6721 12
2.5751 15
3.2435 10
2.7422 13
2.9838 17
2.6424 9
2.9088 9
10 O 3.264 10
2.6845 11
2.6701 12
2.6702 13
2.615 16
2.664 17
3.2435 9
2.8866 10
2.6646 10
2.7519 14
2.6718 15
11 O 3.264 10
2.5346 8
2.7164 9
2.6845 10
2.7843 12
2.7843 12
2.5572 13
2.8244 17
2.5346 8
2.7164 9
2.6845 10
12 O 3.264 10
2.7083 8
2.6721 9
2.6701 10
2.7843 11
2.7843 11
2.4634 17
2.4547 13
2.7083 8
2.6721 9
2.6701 10
13 O 3.264 10
2.8745 8
2.6702 10
2.5572 11
2.7845 17
2.7845 17
2.7422 9
2.4547 12
2.7422 9
2.8745 8
2.6702 10
14 O 3.264 9
2.6223 8
3.0807 15
3.0807 15
2.6072 16
2.6223 8
2.7519 10
3.1848 16
3.1848 16
2.7519 10
15 O 3.264 9
2.8978 8
2.5751 9
3.0807 14
3.0807 14
2.8978 8
2.5751 9
2.6718 10
2.7174 16
2.6718 10
16 O 3.264 8
2.615 10
2.5948 8
2.6072 14
2.5948 8
2.615 10
3.1848 14
3.1848 14
2.7174 15
17 O 3.264 10
2.7162 8
2.664 10
2.4634 12
2.7845 13
2.7845 13
2.9838 9
2.8244 11
2.9838 9
2.7162 8
2.664 10
18 H 1.632 2
1.2924 17
1.5626 11
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 0 1 5.171 10.343 0.059 243.2 4 6.3 4.7
2 2 0 0 5.456 10.912 0.062 218.25 2 34.3 62.6
3 2 0 1 7.012 14.025 0.079 131.23 4 1.1 0.1
4 0 0 2 8.81 17.619 0.099 82.33 2 97.1 189.9
5 0 1 1 9.119 18.238 0.103 76.69 4 25.8 24.9
6 1 0 2 9.228 18.456 0.104 74.84 4 26.4 25.5
7 3 0 1 9.316 18.632 0.105 73.39 4 13.2 6.2
8 1 1 1 9.524 19.048 0.107 70.13 8 28.2 54.4
9 2 1 0 9.684 19.368 0.109 67.76 4 4.2 0.6
10 2 0 2 10.385 20.771 0.117 58.63 4 33.4 32.0
11 2 1 1 10.651 21.301 0.12 55.65 8 10.4 5.8
12 4 0 0 10.962 21.925 0.123 52.41 2 86.8 96.4
13 4 0 1 11.83 23.66 0.133 44.71 4 57.2 71.6
14 3 0 2 12.08 24.16 0.136 42.79 4 55.7 64.8
15 1 1 2 12.243 24.486 0.138 41.6 8 1.2 0.1
16 3 1 1 12.311 24.621 0.138 41.12 8 79.9 256.6
17 2 1 2 13.149 26.298 0.148 35.79 8 3.6 0.5
18 1 0 3 13.568 27.136 0.152 33.49 4 13.2 2.8
19 4 1 0 13.616 27.231 0.153 33.25 4 14.5 3.4
20 4 0 2 14.133 28.266 0.158 30.71 4 72.3 78.4
21 4 1 1 14.333 28.665 0.161 29.81 8 36.0 37.8
22 2 0 3 14.396 28.793 0.161 29.53 4 58.6 49.6
23 5 0 1 14.462 28.924 0.162 29.24 4 98.0 137.1
24 3 1 2 14.543 29.085 0.163 28.9 8 28.5 22.9
25 0 1 3 15.568 31.136 0.174 24.97 4 277.5 939.5
26 3 0 3 15.688 31.377 0.176 24.56 4 19.9 4.8
27 1 1 3 15.817 31.634 0.177 24.13 8 70.4 116.8
28 0 2 0 16.112 32.224 0.18 23.19 2 250.4 355.2
29 4 1 2 16.311 32.621 0.182 22.58 8 15.1 5.0
30 5 0 2 16.426 32.852 0.184 22.24 4 169.9 313.7
31 2 1 3 16.543 33.085 0.185 21.9 8 71.0 107.8
32 6 0 0 16.574 33.147 0.185 21.81 2 177.1 167.2
33 5 1 1 16.601 33.201 0.185 21.74 8 169.7 611.5
34 1 2 1 16.965 33.93 0.189 20.73 8 23.7 11.4
35 2 2 0 17.059 34.118 0.19 20.49 4 126.0 159.0
36 6 0 1 17.178 34.357 0.192 20.18 4 43.0 18.2
37 4 0 3 17.351 34.702 0.194 19.74 4 2.5 0.1
38 2 2 1 17.649 35.298 0.197 19.02 8 25.5 12.1
39 3 1 3 17.694 35.387 0.197 18.92 8 89.9 149.3
40 0 0 4 17.837 35.674 0.199 18.59 2 66.7 20.2
41 1 0 4 18.058 36.115 0.201 18.09 4 76.0 51.1
42 5 1 2 18.36 36.72 0.204 17.44 8 28.8 14.2
43 0 2 2 18.48 36.96 0.206 17.19 4 91.2 69.9
44 6 1 0 18.494 36.988 0.206 17.17 4 11.1 1.0
45 1 2 2 18.694 37.389 0.208 16.76 8 107.1 188.1
46 2 0 4 18.707 37.414 0.208 16.74 4 66.9 36.6
47 3 2 1 18.74 37.481 0.209 16.67 8 5.6 0.5
48 6 0 2 18.891 37.781 0.21 16.38 4 38.3 11.7
49 6 1 1 19.046 38.091 0.212 16.09 8 45.1 32.0
50 4 1 3 19.204 38.407 0.214 15.8 8 89.4 123.4
51 5 0 3 19.304 38.608 0.215 15.62 4 27.3 5.7
52 2 2 2 19.325 38.65 0.215 15.58 8 107.5 176.0
53 4 2 0 19.659 39.318 0.218 15.0 4 21.3 3.3
54 3 0 4 19.748 39.496 0.219 14.85 4 21.5 3.3
55 1 1 4 19.853 39.707 0.22 14.67 8 43.3 26.9
56 7 0 1 19.967 39.935 0.222 14.49 4 69.7 34.4
57 4 2 1 20.183 40.367 0.224 14.15 8 89.8 111.6
58 3 2 2 20.34 40.679 0.226 13.9 8 61.8 52.0
59 2 1 4 20.454 40.908 0.227 13.73 8 19.4 5.1
60 6 1 2 20.625 41.249 0.229 13.48 8 20.5 5.5
61 5 1 3 21.009 42.018 0.233 12.93 8 0.9 0.0
62 4 0 4 21.133 42.266 0.234 12.76 4 32.9 6.8
63 1 2 3 21.309 42.617 0.236 12.53 8 71.6 62.8
64 3 1 4 21.424 42.848 0.237 12.38 8 45.4 24.9
65 6 0 3 21.485 42.97 0.238 12.3 4 123.8 92.1
66 7 0 2 21.49 42.98 0.238 12.29 4 18.7 2.1
67 7 1 1 21.629 43.259 0.239 12.12 8 6.1 0.4
68 4 2 2 21.694 43.387 0.24 12.04 8 17.4 3.6
69 2 2 3 21.876 43.753 0.242 11.81 8 135.9 213.4
70 5 2 1 21.922 43.844 0.242 11.76 8 125.9 182.1
71 8 0 0 22.354 44.708 0.247 11.25 2 204.6 115.0
72 1 0 5 22.695 45.39 0.25 10.87 4 15.3 1.3
73 4 1 4 22.726 45.451 0.251 10.84 8 55.7 32.9
74 3 2 3 22.797 45.595 0.252 10.76 8 36.2 13.8
75 5 0 4 22.813 45.626 0.252 10.75 4 118.4 73.7
76 8 0 1 22.828 45.656 0.252 10.73 4 93.6 46.0
77 6 1 3 23.058 46.116 0.254 10.49 8 12.1 1.5
78 7 1 2 23.063 46.125 0.254 10.48 8 63.2 40.9
79 2 0 5 23.236 46.471 0.256 10.31 4 95.6 46.0
80 5 2 2 23.341 46.682 0.257 10.2 8 116.1 134.5
81 6 2 0 23.452 46.903 0.258 10.1 4 13.0 0.8
82 7 0 3 23.852 47.705 0.262 9.71 4 31.4 4.7
83 8 1 0 23.882 47.764 0.263 9.69 4 96.7 44.3
84 6 2 1 23.908 47.817 0.263 9.66 8 23.7 5.3
85 0 1 5 24.032 48.065 0.264 9.55 4 30.4 4.3
86 4 2 3 24.04 48.08 0.264 9.54 8 13.4 1.7
87 3 0 5 24.116 48.232 0.265 9.47 4 44.6 9.2
88 8 0 2 24.205 48.411 0.266 9.4 4 93.7 40.3
89 1 1 5 24.206 48.412 0.266 9.4 8 24.2 5.4
90 5 1 4 24.318 48.637 0.267 9.3 8 58.8 31.4
91 8 1 1 24.333 48.665 0.267 9.28 8 27.5 6.9
92 0 2 4 24.414 48.828 0.268 9.21 4 50.4 11.4
93 1 2 4 24.586 49.171 0.27 9.07 8 145.7 188.3
94 2 1 5 24.721 49.443 0.271 8.96 8 63.2 34.9
95 6 0 4 24.744 49.487 0.272 8.94 4 19.1 1.6
96 0 3 1 25.041 50.081 0.275 8.7 4 28.4 3.4
97 2 2 4 25.095 50.191 0.275 8.65 8 39.8 13.4
98 1 3 1 25.209 50.418 0.276 8.57 8 14.3 1.7
99 6 2 2 25.241 50.482 0.277 8.54 8 20.4 3.5
100 2 3 0 25.277 50.554 0.277 8.51 4 29.4 3.6
101 4 0 5 25.31 50.619 0.278 8.49 4 30.5 3.9
102 7 1 3 25.311 50.621 0.278 8.49 8 13.2 1.4
103 3 1 5 25.563 51.126 0.28 8.3 8 0.3 0.0
104 5 2 3 25.571 51.141 0.28 8.29 8 25.3 5.2
105 8 1 2 25.649 51.298 0.281 8.24 8 15.5 1.9
106 2 3 1 25.71 51.419 0.282 8.19 8 1.4 0.0
107 9 0 1 25.764 51.529 0.282 8.15 4 18.7 1.4
108 3 2 4 25.928 51.856 0.284 8.03 8 45.2 16.1
109 7 2 1 26.106 52.212 0.286 7.91 8 16.0 2.0
110 6 1 4 26.165 52.33 0.286 7.87 8 64.8 32.3
111 8 0 3 26.38 52.761 0.288 7.72 4 15.5 0.9
112 1 3 2 26.494 52.987 0.29 7.65 8 2.7 0.1
113 3 3 1 26.529 53.057 0.29 7.63 8 65.6 32.1
114 4 1 5 26.709 53.419 0.292 7.51 8 79.6 46.5
115 5 0 5 26.787 53.574 0.293 7.46 4 16.7 1.0
116 7 0 4 26.891 53.782 0.294 7.39 4 47.3 8.1
117 2 3 2 26.977 53.954 0.294 7.34 8 3.9 0.1
118 9 0 2 27.03 54.06 0.295 7.31 4 63.3 14.3
119 4 2 4 27.063 54.127 0.295 7.29 8 44.0 13.8
120 9 1 1 27.147 54.295 0.296 7.24 8 86.1 52.4
121 4 3 0 27.236 54.472 0.297 7.18 4 16.5 1.0
122 0 0 6 27.352 54.705 0.298 7.11 2 126.0 27.6
123 6 2 3 27.356 54.712 0.298 7.11 8 21.2 3.1
124 7 2 2 27.361 54.721 0.298 7.11 8 91.3 57.9
125 1 0 6 27.511 55.021 0.3 7.02 4 90.1 27.9
126 4 3 1 27.647 55.294 0.301 6.94 8 30.8 6.4
127 8 1 3 27.742 55.484 0.302 6.89 8 20.1 2.7
128 3 3 2 27.77 55.54 0.302 6.87 8 27.1 4.9
129 2 0 6 27.982 55.964 0.305 6.76 4 51.9 8.9
130 8 2 0 28.087 56.175 0.306 6.7 4 92.8 28.2
131 5 1 5 28.135 56.27 0.306 6.67 8 118.8 92.1
132 7 1 4 28.236 56.472 0.307 6.62 8 19.6 2.5
133 9 1 2 28.37 56.741 0.308 6.55 8 116.2 86.5
134 1 2 5 28.377 56.753 0.309 6.54 8 9.2 0.5
135 10 0 0 28.386 56.773 0.309 6.54 2 84.5 11.4
136 0 3 3 28.389 56.779 0.309 6.54 4 199.1 126.7
137 5 2 4 28.477 56.954 0.31 6.49 8 184.8 216.6
138 8 2 1 28.49 56.98 0.31 6.49 8 15.8 1.6
139 6 0 5 28.52 57.039 0.31 6.47 4 79.1 19.8
140 1 3 3 28.544 57.088 0.31 6.46 8 60.4 23.1
141 3 0 6 28.757 57.513 0.312 6.35 4 211.9 139.4
142 10 0 1 28.786 57.572 0.313 6.34 4 14.8 0.7
143 1 1 6 28.836 57.672 0.313 6.31 8 47.5 13.9
144 2 2 5 28.839 57.678 0.313 6.31 8 0.8 0.0
145 4 3 2 28.856 57.711 0.313 6.3 8 20.1 2.5
146 2 3 3 29.004 58.009 0.315 6.23 8 57.4 20.1
147 5 3 1 29.042 58.083 0.315 6.21 8 135.0 110.6
148 9 0 3 29.055 58.11 0.315 6.2 4 4.3 0.1
149 8 0 4 29.232 58.463 0.317 6.12 4 43.3 5.6
150 2 1 6 29.294 58.587 0.318 6.09 8 25.1 3.8
151 7 2 3 29.37 58.74 0.318 6.05 8 9.1 0.5
152 3 2 5 29.599 59.197 0.321 5.95 8 41.5 10.0
153 8 2 2 29.676 59.353 0.321 5.92 8 51.6 15.4
154 10 1 0 29.686 59.372 0.321 5.91 4 157.9 72.0
155 3 3 3 29.762 59.523 0.322 5.88 8 68.6 27.0
156 6 1 5 29.816 59.632 0.323 5.85 8 71.2 29.0
157 4 0 6 29.819 59.638 0.323 5.85 4 141.9 57.6
158 10 0 2 29.965 59.93 0.324 5.79 4 19.5 1.1
159 3 1 6 30.046 60.093 0.325 5.75 8 14.2 1.1
160 10 1 1 30.075 60.15 0.325 5.74 8 111.2 69.4
161 6 2 4 30.146 60.292 0.326 5.71 8 19.1 2.0
162 5 3 2 30.214 60.429 0.327 5.68 8 36.2 7.3
163 6 3 0 30.307 60.614 0.328 5.64 4 6.4 0.1
164 9 1 3 30.337 60.673 0.328 5.63 8 2.6 0.0
165 7 0 5 30.484 60.968 0.329 5.57 4 27.6 2.1
166 8 1 4 30.509 61.018 0.33 5.56 8 48.1 12.6
167 4 2 5 30.643 61.286 0.331 5.51 8 27.1 3.9
168 6 3 1 30.691 61.382 0.331 5.49 8 40.9 9.0
169 4 3 3 30.802 61.605 0.332 5.44 8 64.2 21.9
170 9 2 1 31.045 62.09 0.335 5.35 8 47.2 11.7
171 4 1 6 31.082 62.163 0.335 5.34 8 13.3 0.9
172 5 0 6 31.152 62.304 0.336 5.31 4 22.5 1.3
173 10 1 2 31.224 62.449 0.336 5.28 8 20.1 2.1
174 1 3 4 31.266 62.532 0.337 5.27 8 20.9 2.2
175 8 2 3 31.593 63.185 0.34 5.15 8 11.9 0.7
176 2 3 4 31.702 63.404 0.341 5.11 8 11.2 0.6
177 7 1 5 31.731 63.462 0.341 5.1 8 64.7 20.9
178 9 0 4 31.75 63.5 0.342 5.09 4 126.7 39.9
179 6 3 2 31.827 63.655 0.342 5.07 8 10.5 0.5
180 10 0 3 31.871 63.742 0.343 5.05 4 115.5 32.9
181 11 0 1 31.906 63.813 0.343 5.04 4 39.4 3.8
182 5 2 5 31.956 63.912 0.344 5.02 8 48.2 11.4
183 7 2 4 32.049 64.099 0.344 4.99 8 153.0 114.2
184 5 3 3 32.112 64.223 0.345 4.97 8 5.8 0.2
185 9 2 2 32.174 64.348 0.346 4.95 8 102.1 50.4
186 5 1 6 32.384 64.769 0.348 4.88 8 33.6 5.4
187 3 3 4 32.422 64.843 0.348 4.87 8 35.5 6.0
188 0 2 6 32.464 64.928 0.348 4.85 4 131.2 40.8
189 1 0 7 32.557 65.115 0.349 4.82 4 31.3 2.3
190 7 3 1 32.576 65.153 0.349 4.82 8 4.4 0.1
191 1 2 6 32.607 65.214 0.35 4.81 8 141.4 93.9
192 8 0 5 32.662 65.323 0.35 4.79 4 37.3 3.3
193 6 0 6 32.739 65.477 0.351 4.77 4 0.3 0.0
194 9 1 4 32.97 65.94 0.353 4.69 8 17.7 1.4
195 2 0 7 32.984 65.968 0.353 4.69 4 36.1 3.0
196 11 0 2 33.019 66.038 0.354 4.68 4 69.1 10.9
197 2 2 6 33.033 66.067 0.354 4.67 8 38.8 6.9
198 10 1 3 33.089 66.178 0.354 4.66 8 36.2 6.0
199 11 1 1 33.123 66.247 0.355 4.65 8 7.4 0.3
200 10 2 0 33.4 66.801 0.357 4.57 4 44.7 4.5
201 4 3 4 33.415 66.831 0.357 4.56 8 48.9 10.7
202 6 2 5 33.522 67.043 0.358 4.53 8 0.3 0.0
203 0 1 7 33.622 67.243 0.359 4.5 4 74.4 12.2
204 6 3 3 33.674 67.348 0.36 4.49 8 11.0 0.5
205 7 3 2 33.678 67.355 0.36 4.49 8 43.1 8.2
206 3 0 7 33.689 67.379 0.36 4.48 4 46.8 4.8
207 0 4 0 33.713 67.426 0.36 4.48 2 459.6 231.1
208 3 2 6 33.738 67.476 0.361 4.47 8 75.2 24.7
209 1 1 7 33.762 67.524 0.361 4.46 8 11.0 0.5
210 10 2 1 33.765 67.53 0.361 4.46 8 8.5 0.3
211 8 1 5 33.865 67.729 0.362 4.44 8 41.6 7.5
212 6 1 6 33.94 67.88 0.362 4.42 8 9.3 0.4
213 9 2 3 34.011 68.021 0.363 4.4 8 37.7 6.1
214 8 2 4 34.173 68.345 0.365 4.35 8 51.9 11.4
215 2 1 7 34.181 68.362 0.365 4.35 8 54.4 12.6
216 1 4 1 34.216 68.431 0.365 4.34 8 4.5 0.1
217 11 1 2 34.216 68.431 0.365 4.34 8 55.0 12.8
218 2 4 0 34.272 68.544 0.366 4.33 4 13.4 0.4
219 8 3 0 34.323 68.646 0.366 4.31 4 76.2 12.2
220 10 0 4 34.44 68.881 0.367 4.28 4 49.5 5.1
221 0 3 5 34.443 68.886 0.367 4.28 4 18.8 0.7
222 7 0 6 34.564 69.127 0.368 4.25 4 1.8 0.0
223 1 3 5 34.582 69.163 0.368 4.25 8 24.3 2.5
224 2 4 1 34.632 69.264 0.369 4.23 8 0.7 0.0
225 4 0 7 34.665 69.329 0.369 4.23 4 2.0 0.0
226 5 3 4 34.672 69.343 0.369 4.22 8 57.4 13.6
227 8 3 1 34.683 69.366 0.369 4.22 8 18.5 1.4
228 4 2 6 34.713 69.425 0.37 4.21 8 0.3 0.0
229 12 0 0 34.785 69.57 0.37 4.2 2 45.8 2.2
230 11 0 3 34.833 69.667 0.371 4.19 4 53.2 5.8
231 10 2 2 34.847 69.695 0.371 4.18 8 180.7 133.5
232 3 1 7 34.875 69.749 0.371 4.17 8 25.1 2.6
233 2 3 5 34.996 69.993 0.372 4.15 8 53.7 11.7
234 9 0 5 35.042 70.084 0.373 4.13 4 85.5 14.8
235 12 0 1 35.143 70.285 0.374 4.11 4 40.0 3.2
236 0 4 2 35.154 70.308 0.374 4.11 4 53.2 5.7
237 1 4 2 35.292 70.583 0.375 4.08 8 17.0 1.2
238 3 4 1 35.321 70.643 0.375 4.07 8 13.1 0.7
239 7 2 5 35.327 70.654 0.375 4.07 8 0.7 0.0
240 7 3 3 35.476 70.951 0.377 4.03 8 14.6 0.8
241 10 1 4 35.614 71.228 0.378 4.0 8 17.6 1.2
242 3 3 5 35.682 71.365 0.379 3.99 8 9.0 0.3
243 2 4 2 35.703 71.405 0.379 3.98 8 22.5 2.0
244 7 1 6 35.736 71.471 0.379 3.98 8 40.0 6.2
245 8 3 2 35.753 71.506 0.379 3.97 8 1.2 0.0
246 4 1 7 35.835 71.67 0.38 3.95 8 16.0 1.0
247 5 0 7 35.901 71.801 0.381 3.94 4 45.8 4.0
248 4 4 0 35.924 71.848 0.381 3.94 4 50.5 4.9
249 5 2 6 35.948 71.896 0.381 3.93 8 77.6 23.1
250 12 1 0 35.954 71.907 0.381 3.93 4 3.4 0.0
251 11 1 3 36.001 72.003 0.382 3.92 8 11.0 0.5
252 6 3 4 36.18 72.359 0.383 3.88 8 57.6 12.6
253 12 0 2 36.206 72.413 0.383 3.88 4 45.9 4.0
254 9 1 5 36.207 72.414 0.383 3.88 8 8.8 0.3
255 4 4 1 36.277 72.554 0.384 3.86 8 37.1 5.2
256 12 1 1 36.306 72.613 0.384 3.86 8 34.2 4.4
257 3 4 2 36.383 72.766 0.385 3.84 8 31.2 3.7
258 9 2 4 36.506 73.012 0.386 3.82 8 4.4 0.1
259 8 0 6 36.616 73.233 0.387 3.79 4 49.5 4.5
260 10 2 3 36.62 73.239 0.387 3.79 8 161.3 96.5
261 4 3 5 36.634 73.268 0.387 3.79 8 68.4 17.3
262 11 2 1 36.653 73.305 0.387 3.79 8 93.6 32.4
263 9 3 1 37.003 74.005 0.391 3.72 8 74.8 20.3
264 5 1 7 37.055 74.109 0.391 3.71 8 74.9 20.3
265 1 4 3 37.055 74.11 0.391 3.71 8 13.0 0.6
266 1 2 7 37.264 74.528 0.393 3.67 8 56.9 11.6
267 11 0 4 37.305 74.61 0.393 3.66 4 81.6 11.9
268 4 4 2 37.328 74.655 0.394 3.66 8 47.7 8.1
269 12 1 2 37.357 74.713 0.394 3.65 8 24.2 2.1
270 8 2 5 37.362 74.724 0.394 3.65 8 109.7 43.0
271 6 0 7 37.388 74.776 0.394 3.65 4 37.1 2.5
272 6 2 6 37.435 74.869 0.395 3.64 8 61.4 13.4
273 2 4 3 37.458 74.916 0.395 3.64 8 27.4 2.7
274 5 4 1 37.491 74.981 0.395 3.63 8 62.2 13.7
275 8 3 3 37.507 75.015 0.395 3.63 8 3.5 0.0
276 10 0 5 37.62 75.241 0.396 3.61 4 68.2 8.2
277 2 2 7 37.666 75.332 0.397 3.6 8 19.5 1.3
278 11 2 2 37.699 75.399 0.397 3.59 8 21.5 1.6
279 8 1 6 37.762 75.524 0.398 3.58 8 32.5 3.7
280 0 0 8 37.779 75.558 0.398 3.58 2 141.4 17.5
281 5 3 5 37.844 75.687 0.398 3.57 8 98.1 33.6
282 1 0 8 37.913 75.825 0.399 3.56 4 27.6 1.3
283 7 3 4 37.93 75.861 0.399 3.56 8 17.2 1.0
284 12 0 3 37.953 75.906 0.399 3.55 4 48.4 4.1
285 9 3 2 38.046 76.092 0.4 3.54 8 103.1 36.8
286 3 4 3 38.127 76.253 0.401 3.52 8 11.6 0.5
287 2 0 8 38.313 76.625 0.402 3.49 4 123.3 26.0
288 3 2 7 38.334 76.667 0.403 3.49 8 23.3 1.8
289 11 1 4 38.443 76.887 0.404 3.47 8 32.9 3.7
290 1 3 6 38.449 76.897 0.404 3.47 8 40.5 5.6
291 13 0 1 38.518 77.037 0.404 3.46 4 23.7 1.0
292 6 1 7 38.526 77.051 0.404 3.46 8 60.7 12.4
293 5 4 2 38.53 77.059 0.404 3.46 8 127.5 55.0
294 6 4 0 38.612 77.224 0.405 3.45 4 118.5 23.6
295 10 1 5 38.755 77.511 0.406 3.43 8 54.7 10.0
296 2 3 6 38.847 77.694 0.407 3.41 8 11.6 0.5
297 9 0 6 38.891 77.782 0.408 3.41 4 41.4 2.9
298 6 4 1 38.956 77.912 0.408 3.4 8 32.0 3.4
299 3 0 8 38.976 77.953 0.408 3.39 4 20.2 0.7
300 1 1 8 39.045 78.09 0.409 3.38 8 15.1 0.8
301 10 2 4 39.048 78.095 0.409 3.38 8 91.2 27.5
302 4 4 3 39.056 78.113 0.409 3.38 8 4.7 0.1
303 12 1 3 39.085 78.17 0.409 3.38 8 0.9 0.0
304 7 0 7 39.12 78.239 0.41 3.37 4 41.8 2.9
305 7 2 6 39.165 78.331 0.41 3.37 8 44.7 6.6
306 10 3 0 39.191 78.382 0.41 3.36 4 141.8 33.0
307 4 2 7 39.262 78.523 0.411 3.35 8 25.7 2.2
308 6 3 5 39.305 78.61 0.411 3.35 8 71.0 16.5
309 0 4 4 39.342 78.684 0.412 3.34 4 45.6 3.4
310 12 2 0 39.377 78.753 0.412 3.34 4 5.0 0.0
311 11 2 3 39.423 78.846 0.412 3.33 8 82.8 22.3
312 2 1 8 39.441 78.883 0.412 3.33 8 11.5 0.4
313 1 4 4 39.474 78.948 0.413 3.32 8 57.1 10.6
314 3 3 6 39.508 79.016 0.413 3.32 8 12.6 0.5
315 10 3 1 39.534 79.067 0.413 3.32 8 107.8 37.7
316 13 0 2 39.549 79.097 0.413 3.31 4 18.2 0.5
317 9 2 5 39.622 79.245 0.414 3.3 8 112.1 40.6
318 13 1 1 39.645 79.291 0.414 3.3 8 24.2 1.9
319 12 2 1 39.719 79.438 0.415 3.29 8 9.6 0.3
320 9 3 3 39.765 79.53 0.415 3.28 8 2.0 0.0
321 2 4 4 39.869 79.739 0.416 3.27 8 44.5 6.3
322 4 0 8 39.9 79.8 0.416 3.27 4 23.4 0.9
323 8 3 4 39.918 79.836 0.417 3.27 8 35.7 4.1
324 6 4 2 39.983 79.967 0.417 3.26 8 48.4 7.5
325 9 1 6 40.015 80.03 0.417 3.25 8 26.2 2.2
326 3 1 8 40.1 80.2 0.418 3.24 8 19.5 1.2
327 7 1 7 40.242 80.484 0.419 3.22 8 63.1 12.6
328 5 4 3 40.242 80.485 0.419 3.22 8 13.6 0.6
329 12 0 4 40.355 80.711 0.42 3.21 4 40.3 2.5
330 11 0 5 40.401 80.803 0.421 3.21 4 27.0 1.1
331 4 3 6 40.429 80.858 0.421 3.2 8 9.1 0.3
332 5 2 7 40.446 80.893 0.421 3.2 8 121.5 46.2
333 3 4 4 40.526 81.052 0.422 3.19 8 16.3 0.8
334 10 3 2 40.557 81.114 0.422 3.19 8 14.1 0.6
335 7 4 1 40.668 81.336 0.423 3.17 8 35.9 4.0
336 13 1 2 40.668 81.336 0.423 3.17 8 24.0 1.8
337 12 2 2 40.741 81.482 0.424 3.17 8 1.0 0.0
338 7 3 5 41.013 82.026 0.426 3.14 8 56.8 9.9
339 4 1 8 41.017 82.035 0.426 3.14 8 13.5 0.6
340 5 0 8 41.08 82.161 0.427 3.13 4 66.0 6.7
341 8 0 7 41.091 82.182 0.427 3.13 4 45.4 3.2
342 8 2 6 41.136 82.273 0.427 3.12 8 9.7 0.3
343 13 0 3 41.251 82.501 0.428 3.11 4 37.6 2.1
344 10 0 6 41.388 82.776 0.429 3.1 4 9.8 0.1
345 4 4 4 41.442 82.883 0.43 3.09 8 24.0 1.7
346 12 1 4 41.47 82.94 0.43 3.09 8 15.5 0.7
347 11 1 5 41.516 83.031 0.43 3.08 8 39.3 4.7
348 5 3 6 41.606 83.211 0.431 3.08 8 25.0 1.9
349 6 4 3 41.681 83.363 0.432 3.07 8 69.4 14.4
350 7 4 2 41.685 83.37 0.432 3.07 8 10.1 0.3
351 14 0 0 41.727 83.454 0.432 3.06 2 3.0 0.0
352 11 2 4 41.803 83.607 0.433 3.06 8 12.4 0.5
353 6 2 7 41.884 83.768 0.433 3.05 8 74.0 16.3
354 14 0 1 42.065 84.13 0.435 3.03 4 26.2 1.0
355 10 2 5 42.109 84.219 0.435 3.03 8 1.5 0.0
356 9 3 4 42.141 84.282 0.436 3.03 8 23.3 1.6
357 5 1 8 42.191 84.383 0.436 3.02 8 23.3 1.6
358 8 1 7 42.202 84.404 0.436 3.02 8 59.2 10.4
359 10 3 3 42.25 84.501 0.436 3.02 8 32.3 3.1
360 0 2 8 42.264 84.527 0.437 3.01 4 48.6 3.5
361 11 3 1 42.282 84.564 0.437 3.01 8 2.1 0.0
362 8 4 0 42.287 84.574 0.437 3.01 4 124.4 22.8
363 13 1 3 42.361 84.722 0.437 3.01 8 15.1 0.7
364 1 2 8 42.394 84.787 0.438 3.0 8 1.8 0.0
365 12 2 3 42.433 84.866 0.438 3.0 8 43.1 5.4
366 10 1 6 42.497 84.995 0.439 2.99 8 76.0 16.9
367 6 0 8 42.514 85.028 0.439 2.99 4 56.1 4.6
368 1 4 5 42.529 85.058 0.439 2.99 8 11.3 0.4
369 5 4 4 42.613 85.227 0.439 2.98 8 74.8 16.3
370 8 4 1 42.624 85.248 0.44 2.98 8 57.2 9.5
371 0 3 7 42.742 85.483 0.441 2.97 4 66.1 6.4
372 2 2 8 42.784 85.567 0.441 2.97 8 29.9 2.6
373 14 1 0 42.835 85.67 0.441 2.97 4 151.1 33.1
374 1 3 7 42.871 85.743 0.442 2.96 8 3.1 0.0
375 2 4 5 42.919 85.838 0.442 2.96 8 57.6 9.6
376 8 3 5 42.967 85.933 0.442 2.96 8 38.7 4.3
377 13 2 1 42.984 85.969 0.443 2.96 8 12.5 0.5
378 6 3 6 43.037 86.073 0.443 2.95 8 0.7 0.0
379 14 0 2 43.076 86.153 0.443 2.95 4 31.2 1.4
380 14 1 1 43.172 86.344 0.444 2.94 8 11.4 0.4
381 2 3 7 43.261 86.522 0.445 2.93 8 51.5 7.6
382 11 3 2 43.293 86.586 0.445 2.93 8 52.8 8.0
383 9 0 7 43.304 86.608 0.445 2.93 4 67.5 6.5
384 9 2 6 43.349 86.698 0.446 2.93 8 30.6 2.7
385 7 4 3 43.371 86.743 0.446 2.93 8 14.2 0.6
386 12 0 5 43.399 86.798 0.446 2.92 4 72.2 7.5
387 3 2 8 43.433 86.865 0.446 2.92 8 26.2 2.0
388 3 4 5 43.567 87.135 0.447 2.91 8 32.4 3.0
389 7 2 7 43.573 87.146 0.447 2.91 8 2.5 0.0
390 13 0 4 43.613 87.225 0.448 2.91 4 9.1 0.1
391 6 1 8 43.62 87.239 0.448 2.91 8 85.1 20.6
392 8 4 2 43.634 87.269 0.448 2.91 8 63.0 11.3
393 1 0 9 43.696 87.392 0.448 2.9 4 53.3 4.0
394 3 3 7 43.909 87.818 0.45 2.89 8 28.5 2.3
395 13 2 2 43.994 87.988 0.451 2.88 8 18.4 1.0
396 6 4 4 44.041 88.081 0.451 2.88 8 10.5 0.3
397 2 0 9 44.085 88.169 0.452 2.88 4 56.3 4.5
398 11 0 6 44.117 88.234 0.452 2.88 4 45.1 2.9
399 14 1 2 44.181 88.362 0.452 2.87 8 30.6 2.6
400 7 0 8 44.2 88.401 0.453 2.87 4 64.3 5.8
401 0 5 1 44.268 88.535 0.453 2.87 4 10.6 0.2
402 4 2 8 44.34 88.679 0.454 2.86 8 107.0 32.0
403 1 5 1 44.397 88.794 0.454 2.86 8 21.6 1.3
404 9 1 7 44.408 88.816 0.454 2.86 8 90.7 23.0
405 2 5 0 44.45 88.899 0.455 2.86 4 7.3 0.1
406 4 4 5 44.475 88.949 0.455 2.86 8 15.0 0.6
407 12 1 5 44.503 89.005 0.455 2.85 8 21.8 1.3
408 10 3 4 44.606 89.213 0.456 2.85 8 13.9 0.5
409 0 1 9 44.67 89.34 0.456 2.85 4 19.3 0.5
410 13 1 4 44.716 89.433 0.457 2.84 8 6.9 0.1
411 7 3 6 44.722 89.443 0.457 2.84 8 33.8 3.2
412 3 0 9 44.732 89.465 0.457 2.84 4 29.1 1.2
413 14 0 3 44.758 89.516 0.457 2.84 4 93.3 12.1
414 2 5 1 44.786 89.571 0.457 2.84 8 12.7 0.5
415 12 2 4 44.788 89.577 0.457 2.84 8 20.2 1.1
416 1 1 9 44.8 89.599 0.457 2.84 8 104.2 30.1
417 4 3 7 44.816 89.632 0.458 2.84 8 6.3 0.1
418 9 4 1 44.828 89.657 0.458 2.84 8 24.7 1.7
419 11 2 5 44.834 89.668 0.458 2.84 8 52.2 7.5
420 12 3 0 44.929 89.857 0.458 2.83 4 3.5 0.0
421 11 3 3 44.974 89.948 0.459 2.83 8 3.7 0.0
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 2 0 0 5.456 10.912 8.10115 62.6 6.7 6.8 5.6
2 0 0 2 8.81 17.619 5.02945 189.9 20.2 20.4 5.6
3 0 1 1 9.119 18.238 4.86021 24.9 2.7 2.7 5.6
4 1 0 2 9.228 18.456 4.80335 25.5 2.7 2.7 5.6
5 1 1 1 9.524 19.048 4.65527 54.4 5.8 5.8 5.6
6 2 0 2 10.385 20.771 4.27295 32.0 3.4 3.4 5.6
7 4 0 0 10.962 21.925 4.05057 96.4 10.3 10.3 5.6
8 4 0 1 11.83 23.66 3.75737 71.6 7.6 7.7 5.6
9 3 0 2 12.08 24.16 3.68063 64.8 6.9 6.9 5.6
10 3 1 1 12.311 24.621 3.61272 256.6 27.3 27.5 5.6
11 4 0 2 14.133 28.266 3.15468 78.4 8.4 8.4 5.6
12 4 1 1 14.333 28.665 3.11161 37.8 4.0 4.0 5.6
13 2 0 3 14.396 28.793 3.09809 49.6 5.3 5.3 5.6
14 5 0 1 14.462 28.924 3.08436 137.1 14.6 14.6 5.6
15 3 1 2 14.543 29.085 3.06761 22.9 2.4 2.4 5.6
16 0 1 3 15.568 31.136 2.87006 939.5 100.0 100.0 5.6
17 1 1 3 15.817 31.634 2.82606 116.8 12.4 12.4 5.6
18 0 2 0 16.112 32.224 2.7756 355.2 37.8 37.8 5.6
19 5 0 2 16.426 32.852 2.72402 313.7 33.4 33.3 5.6
20 2 1 3 16.543 33.085 2.7053 107.8 11.5 11.5 5.6
21 5 1 1 16.601 33.201 2.69614 778.7 82.9 82.7 5.6
22 1 2 1 16.965 33.93 2.63986 11.4 1.2 1.2 5.7
23 2 2 0 17.059 34.118 2.62576 159.0 16.9 16.9 5.7
24 6 0 1 17.178 34.357 2.60804 18.2 1.9 1.9 5.7
25 2 2 1 17.649 35.298 2.54063 12.1 1.3 1.3 5.7
26 3 1 3 17.694 35.387 2.53442 149.3 15.9 15.8 5.7
27 0 0 4 17.837 35.674 2.51472 20.2 2.2 2.1 5.7
28 1 0 4 18.058 36.115 2.48497 51.1 5.4 5.4 5.7
29 5 1 2 18.36 36.72 2.44546 14.2 1.5 1.5 5.7
30 0 2 2 18.48 36.96 2.4301 70.9 7.5 7.5 5.7
31 1 2 2 18.694 37.389 2.40322 224.7 23.9 23.8 5.7
32 6 0 2 18.891 37.781 2.37914 11.7 1.2 1.2 5.7
33 6 1 1 19.046 38.091 2.3605 32.0 3.4 3.4 5.7
34 4 1 3 19.204 38.407 2.34179 123.4 13.1 13.0 5.7
35 2 2 2 19.325 38.65 2.32764 181.6 19.3 19.2 5.7
36 1 1 4 19.853 39.707 2.26809 26.9 2.9 2.8 5.7
37 7 0 1 19.967 39.935 2.25567 34.4 3.7 3.6 5.7
38 4 2 1 20.183 40.367 2.23252 111.6 11.9 11.8 5.7
39 3 2 2 20.34 40.679 2.2161 52.0 5.5 5.5 5.7
40 1 2 3 21.309 42.617 2.1197 62.8 6.7 6.6 5.7
41 3 1 4 21.424 42.848 2.10881 24.9 2.7 2.6 5.7
42 6 0 3 21.485 42.97 2.10312 94.2 10.0 9.9 5.7
43 2 2 3 21.876 43.753 2.06729 213.4 22.7 22.4 5.7
44 5 2 1 21.922 43.844 2.0632 182.1 19.4 19.1 5.7
45 8 0 0 22.354 44.708 2.02529 115.0 12.2 12.1 5.7
46 4 1 4 22.726 45.451 1.9939 32.9 3.5 3.4 5.7
47 5 0 4 22.813 45.626 1.98668 133.4 14.2 14.0 5.7
48 7 1 2 23.063 46.125 1.96631 42.4 4.5 4.4 5.7
49 2 0 5 23.236 46.471 1.95248 46.0 4.9 4.8 5.7
50 5 2 2 23.341 46.682 1.94415 134.5 14.3 14.1 5.7
51 8 1 0 23.882 47.764 1.90262 49.6 5.3 5.2 5.7
52 8 0 2 24.205 48.411 1.87869 45.7 4.9 4.8 5.7
53 5 1 4 24.318 48.637 1.8705 38.3 4.1 4.0 5.7
54 0 2 4 24.414 48.828 1.8636 11.4 1.2 1.2 5.7
55 1 2 4 24.586 49.171 1.85139 188.3 20.0 19.7 5.7
56 2 1 5 24.721 49.443 1.84187 36.5 3.9 3.8 5.7
57 2 2 4 25.095 50.191 1.81616 13.4 1.4 1.4 5.7
58 3 2 4 25.928 51.856 1.76167 16.1 1.7 1.7 5.8
59 6 1 4 26.165 52.33 1.74683 32.3 3.4 3.4 5.8
60 3 3 1 26.529 53.057 1.72459 32.1 3.4 3.3 5.8
61 4 1 5 26.709 53.419 1.71377 46.5 4.9 4.8 5.8
62 9 0 2 27.03 54.06 1.69495 14.3 1.5 1.5 5.8
63 4 2 4 27.063 54.127 1.69301 13.8 1.5 1.4 5.8
64 9 1 1 27.147 54.295 1.68817 52.4 5.6 5.4 5.8
65 7 2 2 27.361 54.721 1.67602 88.6 9.4 9.2 5.8
66 1 0 6 27.511 55.021 1.66758 27.9 3.0 2.9 5.8
67 8 2 0 28.087 56.175 1.63605 28.2 3.0 2.9 5.8
68 5 1 5 28.135 56.27 1.63351 92.1 9.8 9.5 5.8
69 0 3 3 28.389 56.779 1.62007 225.1 24.0 23.3 5.8
70 5 2 4 28.477 56.954 1.61549 218.2 23.2 22.6 5.8
71 1 3 3 28.544 57.088 1.61203 42.9 4.6 4.4 5.8
72 3 0 6 28.757 57.513 1.60112 139.4 14.8 14.4 5.8
73 1 1 6 28.836 57.672 1.59708 16.4 1.7 1.7 5.8
74 2 3 3 29.004 58.009 1.58861 20.1 2.1 2.1 5.8
75 5 3 1 29.042 58.083 1.58675 110.6 11.8 11.4 5.8
76 3 2 5 29.599 59.197 1.55952 10.0 1.1 1.0 5.8
77 10 1 0 29.686 59.372 1.55534 87.4 9.3 9.0 5.8
78 3 3 3 29.762 59.523 1.55176 27.0 2.9 2.8 5.8
79 4 0 6 29.819 59.638 1.54905 86.6 9.2 8.9 5.8
80 10 1 1 30.075 60.15 1.53707 70.5 7.5 7.3 5.8
81 8 1 4 30.509 61.018 1.51728 14.6 1.6 1.5 5.8
82 4 3 3 30.802 61.605 1.50422 21.9 2.3 2.3 5.8
83 9 2 1 31.045 62.09 1.49363 11.7 1.2 1.2 5.8
84 9 0 4 31.75 63.5 1.46382 60.8 6.5 6.2 5.9
85 10 0 3 31.871 63.742 1.45884 32.9 3.5 3.4 5.9
86 5 2 5 31.956 63.912 1.45538 11.4 1.2 1.2 5.9
87 7 2 4 32.049 64.099 1.45158 114.2 12.2 11.7 5.9
88 9 2 2 32.174 64.348 1.44656 50.4 5.4 5.2 5.9
89 0 2 6 32.464 64.928 1.43503 40.8 4.3 4.2 5.9
90 1 2 6 32.607 65.214 1.42943 93.9 10.0 9.6 5.9
91 11 0 2 33.019 66.038 1.41356 17.8 1.9 1.8 5.9
92 4 3 4 33.415 66.831 1.39872 15.1 1.6 1.5 5.9
93 0 1 7 33.622 67.243 1.39113 12.2 1.3 1.2 5.9
94 7 3 2 33.678 67.355 1.38909 13.0 1.4 1.3 5.9
95 0 4 0 33.713 67.426 1.3878 255.8 27.2 26.0 5.9
96 2 1 7 34.181 68.362 1.37106 24.0 2.6 2.4 5.9
97 11 1 2 34.216 68.431 1.36985 12.8 1.4 1.3 5.9
98 8 3 0 34.323 68.646 1.36608 12.2 1.3 1.2 5.9
99 5 3 4 34.672 69.343 1.35405 15.0 1.6 1.5 5.9
100 10 2 2 34.847 69.695 1.34807 141.9 15.1 14.4 5.9
101 2 3 5 34.996 69.993 1.34307 11.7 1.2 1.2 5.9
102 9 0 5 35.042 70.084 1.34154 14.8 1.6 1.5 5.9
103 5 2 6 35.948 71.896 1.31212 32.1 3.4 3.2 5.9
104 6 3 4 36.18 72.359 1.30485 16.9 1.8 1.7 5.9
105 4 4 1 36.277 72.554 1.30184 9.6 1.0 1.0 6.0
106 4 3 5 36.634 73.268 1.2909 150.7 16.0 15.2 6.0
107 9 3 1 37.003 74.005 1.27985 20.3 2.2 2.0 6.0
108 5 1 7 37.055 74.109 1.27831 20.9 2.2 2.1 6.0
109 1 2 7 37.264 74.528 1.27217 11.6 1.2 1.2 6.0
110 11 0 4 37.305 74.61 1.27097 20.1 2.1 2.0 6.0
111 8 2 5 37.362 74.724 1.26931 47.5 5.1 4.8 6.0
112 6 2 6 37.435 74.869 1.26721 16.1 1.7 1.6 6.0
113 5 4 1 37.491 74.981 1.26559 13.8 1.5 1.4 6.0
114 0 0 8 37.779 75.558 1.25736 21.2 2.3 2.1 6.0
115 5 3 5 37.844 75.687 1.25553 33.6 3.6 3.4 6.0
116 9 3 2 38.046 76.092 1.24986 36.8 3.9 3.7 6.0
117 2 0 8 38.313 76.625 1.24249 27.8 3.0 2.8 6.0
118 5 4 2 38.53 77.059 1.23657 67.4 7.2 6.7 6.0
119 6 4 0 38.612 77.224 1.23433 23.6 2.5 2.4 6.0
120 10 1 5 38.755 77.511 1.23048 10.0 1.1 1.0 6.0
121 10 2 4 39.048 78.095 1.22273 27.6 2.9 2.7 6.0
122 10 3 0 39.191 78.382 1.21898 39.6 4.2 3.9 6.0
123 6 3 5 39.305 78.61 1.21601 16.5 1.8 1.6 6.0
124 11 2 3 39.423 78.846 1.21296 22.7 2.4 2.3 6.0
125 1 4 4 39.474 78.948 1.21165 10.6 1.1 1.1 6.0
126 10 3 1 39.534 79.067 1.21013 38.2 4.1 3.8 6.0
127 9 2 5 39.622 79.245 1.20786 42.5 4.5 4.2 6.0
128 7 1 7 40.242 80.484 1.19235 13.1 1.4 1.3 6.0
129 5 2 7 40.446 80.893 1.18735 46.2 4.9 4.6 6.1
130 7 3 5 41.013 82.026 1.1738 10.5 1.1 1.0 6.1
131 5 0 8 41.08 82.161 1.17221 9.8 1.0 1.0 6.1
132 6 4 3 41.681 83.363 1.15834 14.7 1.6 1.5 6.1
133 6 2 7 41.884 83.768 1.15376 16.3 1.7 1.6 6.1
134 8 1 7 42.202 84.404 1.14668 12.0 1.3 1.2 6.1
135 8 4 0 42.287 84.574 1.14481 29.3 3.1 2.9 6.1
136 10 1 6 42.497 84.995 1.14021 21.5 2.3 2.1 6.1
137 5 4 4 42.613 85.227 1.1377 25.9 2.8 2.5 6.1
138 14 1 0 42.835 85.67 1.13295 33.1 3.5 3.2 6.1
139 2 4 5 42.919 85.838 1.13117 9.6 1.0 0.9 6.1
140 11 3 2 43.293 86.586 1.1233 14.5 1.5 1.4 6.1
141 6 1 8 43.62 87.239 1.11656 31.9 3.4 3.1 6.2
142 4 2 8 44.34 88.679 1.10211 32.0 3.4 3.1 6.2
143 9 1 7 44.408 88.816 1.10077 24.3 2.6 2.4 6.2
144 14 0 3 44.758 89.516 1.09397 13.7 1.5 1.3 6.2
145 1 1 9 44.8 89.599 1.09317 31.9 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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