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
12, t-zoisite, analogue
[Ca(0.28)Sr(1.76)]Al(3)[Si(3)O(12)]OH
Orthorhombic P nma Z = 4
Pnma
30 .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 = 16.3432 alpha = 90.0
b = 5.5943 beta = 90.0
c = 10.2378 gamma = 90.0
Unit cell volume (cub. angs.) = 936.03
Molar volume ( cub.cm/mol.) = 140.95
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3686 0.25 0.441 0.0 Sr = 0.76, Ca = 0.24
2 0.4573 0.25 0.1109 0.0 Sr = 0.96, Ca = 0.04
3 0.2525 0.996 0.1896 0.0 Al = 1.00
4 0.1102 0.75 0.2966 0.0 Al = 1.00
5 0.0873 0.25 0.1054 0.0 Si = 1.00
6 0.4122 0.75 0.2831 0.0 Si = 1.00
7 0.1626 0.25 0.4291 0.0 Si = 1.00
8 0.1348 0.0 0.149 0.0 O = 1.00
9 0.1072 0.021 0.421 0.0 O = 1.00
10 0.3613 0.983 0.242 0.0 O = 1.00
11 0.223 0.75 0.297 0.0 O = 1.00
12 0.233 0.25 0.313 0.0 O = 1.00
13 0.998 0.25 0.155 0.0 O = 1.00
14 0.004 0.75 0.286 0.0 O = 1.00
15 0.4159 0.75 0.445 0.0 O = 1.00
16 0.2743 0.25 0.076 0.0 O = 1.00
17 0.2753 0.75 0.058 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 0.3686 0.25 0.441
2 2 0.4573 0.25 0.1109
3 3 0.2525 0.996 0.1896
4 4 0.1102 0.75 0.2966
5 5 0.0873 0.25 0.1054
6 6 0.4122 0.75 0.2831
7 7 0.1626 0.25 0.4291
8 8 0.1348 0.0 0.149
9 9 0.1072 0.021 0.421
10 10 0.3613 0.983 0.242
11 11 0.223 0.75 0.297
12 12 0.233 0.25 0.313
13 13 0.998 0.25 0.155
14 14 0.004 0.75 0.286
15 15 0.4159 0.75 0.445
16 16 0.2743 0.25 0.076
17 17 0.2753 0.75 0.058
18 18 0.26 0.25 0.95
19 1 0.1314 0.75 0.941
20 2 0.0427 0.75 0.6109
21 3 0.2475 0.004 0.6896
22 4 0.3898 0.25 0.7966
23 5 0.4127 0.75 0.6054
24 6 0.0878 0.25 0.7831
25 7 0.3374 0.75 0.9291
26 8 0.3652 0.0 0.649
27 9 0.3928 0.979 0.921
28 10 0.1387 0.017 0.742
29 11 0.277 0.25 0.797
30 12 0.267 0.75 0.813
31 13 0.502 0.75 0.655
32 14 0.496 0.25 0.786
33 15 0.0841 0.25 0.945
34 16 0.2257 0.75 0.576
35 17 0.2247 0.25 0.558
36 18 0.24 0.75 0.45
37 3 0.2475 0.496 0.6896
38 8 0.3652 0.5 0.649
39 9 0.3928 0.521 0.921
40 10 0.1387 0.483 0.742
41 3 0.2525 0.504 0.1896
42 8 0.1348 0.5 0.149
43 9 0.1072 0.479 0.421
44 10 0.3613 0.517 0.242
45 1 0.8686 0.25 0.059
46 2 0.9573 0.25 0.3891
47 3 0.7525 0.996 0.3104
48 4 0.6102 0.75 0.2034
49 5 0.5873 0.25 0.3946
50 6 0.9122 0.75 0.2169
51 7 0.6626 0.25 0.0709
52 8 0.6348 0.0 0.351
53 9 0.6072 0.021 0.079
54 10 0.8613 0.983 0.258
55 11 0.723 0.75 0.203
56 12 0.733 0.25 0.187
57 13 0.498 0.25 0.345
58 14 0.504 0.75 0.214
59 15 0.9159 0.75 0.055
60 16 0.7743 0.25 0.424
61 17 0.7753 0.75 0.442
62 18 0.76 0.25 0.55
63 1 0.6314 0.75 0.559
64 2 0.5427 0.75 0.8891
65 3 0.7475 0.004 0.8104
66 4 0.8898 0.25 0.7034
67 5 0.9127 0.75 0.8946
68 6 0.5878 0.25 0.7169
69 7 0.8374 0.75 0.5709
70 8 0.8652 0.0 0.851
71 9 0.8928 0.979 0.579
72 10 0.6387 0.017 0.758
73 11 0.777 0.25 0.703
74 12 0.767 0.75 0.687
75 13 0.002 0.75 0.845
76 14 0.996 0.25 0.714
77 15 0.5841 0.25 0.555
78 16 0.7257 0.75 0.924
79 17 0.7247 0.25 0.942
80 18 0.74 0.75 0.05
81 3 0.7475 0.496 0.8104
82 8 0.8652 0.5 0.851
83 9 0.8928 0.521 0.579
84 10 0.6387 0.483 0.758
85 3 0.7525 0.504 0.3104
86 8 0.6348 0.5 0.351
87 9 0.6072 0.479 0.079
88 10 0.8613 0.517 0.258
X-ray density (g/cm cub.) = 3.8
MU (1/cm) = 227.629 Mass attenuation coefficient (cm**2/g) = 59.853
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Sr ,Ca 3.072 9
2.529 10
2.5746 12
2.9023 15
2.9023 15
2.5483 8
2.6393 17
2.5483 8
2.529 10
2.332 13
2 Sr ,Ca 3.072 8
2.5484 10
3.0121 16
2.6813 9
2.6813 9
2.5484 10
2.7838 9
2.4873 13
2.7838 9
3 Al 2.316 6
1.9681 8
1.8587 10
1.8263 11
1.9279 12
1.8705 16
1.9616 17
4 Al 2.316 6
2.0979 8
1.9806 9
1.8435 11
1.739 14
2.0979 8
1.9806 9
5 Si 2.1 4
1.6607 8
1.5453 13
1.643 15
1.6607 8
6 Si 2.1 4
1.6025 10
1.6586 15
1.6025 10
1.6587 14
7 Si 2.1 4
1.5709 9
1.6543 12
1.6648 17
1.5709 9
8 O 3.264 10
2.8234 9
2.5159 11
2.7112 12
2.6379 13
2.9143 14
2.7771 16
2.8455 17
2.6466 15
2.7971 8
2.7971 8
9 O 3.264 8
2.8234 8
2.7371 11
2.6628 12
2.6558 14
2.927 16
2.7011 17
2.5622 9
3.0321 9
10 O 3.264 9
2.6692 11
2.6751 12
2.6105 15
2.6723 16
2.6876 17
2.9874 10
2.6069 10
2.8869 13
2.6871 14
11 O 3.264 10
2.5159 8
2.7371 9
2.6692 10
2.8067 12
2.8067 12
2.5918 17
2.8567 16
2.5159 8
2.7371 9
2.6692 10
12 O 3.264 10
2.7112 8
2.6628 9
2.6751 10
2.8067 11
2.8067 11
2.5185 16
2.5119 17
2.7112 8
2.6628 9
2.6751 10
13 O 3.264 7
2.6379 8
3.1036 14
3.1036 14
2.5695 15
2.6379 8
2.8869 10
2.8869 10
14 O 3.264 9
2.9143 8
2.6558 9
3.1036 13
3.1036 13
2.9143 8
2.6558 9
2.6871 10
2.7688 15
2.6871 10
15 O 3.264 6
2.6105 10
2.6466 8
2.5695 13
2.6466 8
2.6105 10
2.7688 14
16 O 3.264 10
2.7771 8
2.6723 10
2.5185 12
2.8033 17
2.8033 17
2.927 9
2.8567 11
2.927 9
2.7771 8
2.6723 10
17 O 3.264 10
2.8455 8
2.6876 10
2.5918 11
2.8033 16
2.8033 16
2.7011 9
2.5119 12
2.7011 9
2.8455 8
2.6876 10
18 H 1.632 2
1.311 16
1.5908 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 5.094 10.187 0.058 250.76 4 11.4 14.8
2 2 0 0 5.409 10.818 0.061 222.11 2 4.5 1.0
3 2 0 1 6.927 13.854 0.078 134.53 4 27.7 47.2
4 0 0 2 8.655 17.309 0.098 85.39 2 56.2 61.5
5 0 1 1 9.027 18.055 0.102 78.3 4 70.7 178.9
6 1 0 2 9.073 18.145 0.102 77.5 4 13.3 6.2
7 3 0 1 9.217 18.433 0.104 75.03 4 72.2 178.7
8 1 1 1 9.429 18.859 0.106 71.59 8 51.2 171.5
9 2 1 0 9.606 19.211 0.108 68.91 4 67.4 142.9
10 2 0 2 10.228 20.456 0.115 60.52 4 38.9 41.8
11 2 1 1 10.547 21.094 0.119 56.79 8 36.8 70.3
12 4 0 0 10.867 21.734 0.122 53.37 2 110.1 147.6
13 4 0 1 11.712 23.423 0.132 45.66 4 76.3 121.4
14 3 0 2 11.916 23.833 0.134 44.03 4 44.0 38.8
15 1 1 2 12.084 24.167 0.136 42.76 8 28.7 32.1
16 3 1 1 12.194 24.387 0.137 41.96 8 78.4 235.4
17 2 1 2 12.985 25.97 0.146 36.76 8 40.0 53.6
18 1 0 3 13.331 26.663 0.15 34.77 4 51.0 41.4
19 4 1 0 13.5 27.001 0.152 33.85 4 45.6 32.2
20 4 0 2 13.958 27.917 0.157 31.54 4 104.5 157.1
21 2 0 3 14.159 28.317 0.159 30.59 4 0.2 0.0
22 4 1 1 14.198 28.397 0.159 30.41 8 37.8 39.8
23 5 0 1 14.322 28.645 0.161 29.85 4 149.5 304.7
24 3 1 2 14.37 28.74 0.161 29.64 8 84.5 193.4
25 0 1 3 15.331 30.662 0.172 25.81 4 363.3 1554.8
26 3 0 3 15.447 30.894 0.173 25.39 4 14.2 2.3
27 1 1 3 15.579 31.158 0.174 24.93 8 94.3 202.3
28 0 2 0 15.985 31.969 0.179 23.59 2 341.7 628.8
29 4 1 2 16.126 32.252 0.18 23.14 8 23.3 11.5
30 5 0 2 16.237 32.473 0.181 22.8 4 227.3 537.8
31 2 1 3 16.302 32.604 0.182 22.61 8 107.0 236.4
32 6 0 0 16.427 32.853 0.184 22.24 2 144.4 105.9
33 5 1 1 16.446 32.892 0.184 22.18 8 227.7 1049.9
34 1 2 1 16.818 33.637 0.188 21.13 8 19.4 7.3
35 2 2 0 16.922 33.844 0.189 20.85 4 164.3 257.0
36 6 0 1 17.015 34.031 0.19 20.6 4 68.5 44.2
37 4 0 3 17.103 34.206 0.191 20.37 4 41.2 15.8
38 3 1 3 17.447 34.895 0.195 19.5 8 126.0 282.5
39 2 2 1 17.496 34.991 0.195 19.39 8 49.1 42.8
40 0 0 4 17.515 35.03 0.195 19.34 2 103.7 47.5
41 1 0 4 17.736 35.471 0.198 18.82 4 104.8 94.4
42 5 1 2 18.16 36.319 0.202 17.87 8 68.7 77.1
43 0 2 2 18.289 36.578 0.204 17.59 4 137.1 151.0
44 6 1 0 18.332 36.665 0.204 17.5 4 21.9 3.8
45 2 0 4 18.383 36.767 0.205 17.39 4 106.0 89.2
46 1 2 2 18.502 37.003 0.206 17.15 8 116.9 214.2
47 3 2 1 18.577 37.153 0.207 17.0 8 65.1 65.8
48 6 0 2 18.683 37.366 0.208 16.79 4 54.0 22.4
49 6 1 1 18.869 37.738 0.21 16.42 8 51.1 39.2
50 4 1 3 18.949 37.898 0.211 16.27 8 100.4 149.8
51 5 0 3 19.045 38.091 0.212 16.09 4 14.5 1.5
52 2 2 2 19.127 38.254 0.213 15.94 8 101.0 148.4
53 3 0 4 19.422 38.843 0.216 15.41 4 34.5 8.4
54 4 2 0 19.495 38.991 0.217 15.28 4 3.5 0.1
55 1 1 4 19.53 39.06 0.217 15.22 8 30.4 12.9
56 7 0 1 19.779 39.558 0.22 14.8 4 117.0 92.5
57 4 2 1 20.005 40.011 0.222 14.43 8 103.3 140.7
58 2 1 4 20.128 40.256 0.223 14.23 8 22.4 6.5
59 3 2 2 20.133 40.265 0.223 14.22 8 77.7 78.5
60 6 1 2 20.406 40.812 0.226 13.8 8 40.1 20.3
61 5 1 3 20.743 41.486 0.23 13.31 8 6.1 0.5
62 4 0 4 20.801 41.603 0.231 13.22 4 50.2 15.2
63 1 2 3 21.049 42.099 0.233 12.88 8 95.4 106.9
64 3 1 4 21.094 42.188 0.234 12.82 8 80.3 75.5
65 6 0 3 21.212 42.425 0.235 12.66 4 130.6 98.5
66 7 0 2 21.261 42.522 0.235 12.59 4 96.0 53.0
67 7 1 1 21.428 42.856 0.237 12.37 8 61.3 42.5
68 4 2 2 21.475 42.949 0.238 12.31 8 48.2 26.1
69 2 2 3 21.613 43.225 0.239 12.14 8 192.1 409.1
70 5 2 1 21.726 43.453 0.24 12.0 8 171.7 322.9
71 8 0 0 22.151 44.302 0.245 11.48 2 245.4 157.9
72 1 0 5 22.28 44.56 0.246 11.33 4 57.4 17.1
73 4 1 4 22.389 44.777 0.247 11.21 8 85.5 74.8
74 5 0 4 22.473 44.945 0.248 11.12 4 169.7 146.2
75 3 2 3 22.527 45.053 0.249 11.06 8 36.5 13.5
76 8 0 1 22.612 45.224 0.25 10.96 4 88.9 39.6
77 6 1 3 22.777 45.553 0.251 10.78 8 11.0 1.2
78 2 0 5 22.819 45.638 0.252 10.74 4 143.9 101.5
79 7 1 2 22.823 45.645 0.252 10.74 8 95.1 88.7
80 5 2 2 23.107 46.213 0.255 10.44 8 170.6 277.3
81 6 2 0 23.249 46.497 0.256 10.3 4 6.7 0.2
82 7 0 3 23.562 47.124 0.259 9.99 4 18.6 1.6
83 0 1 5 23.616 47.231 0.26 9.94 4 5.8 0.2
84 8 1 0 23.666 47.332 0.261 9.89 4 148.9 100.1
85 6 2 1 23.692 47.385 0.261 9.86 8 31.0 8.6
86 3 0 5 23.696 47.393 0.261 9.86 4 76.1 26.1
87 4 2 3 23.759 47.519 0.262 9.8 8 36.7 12.1
88 1 1 5 23.789 47.577 0.262 9.77 8 22.5 4.5
89 8 0 2 23.952 47.904 0.264 9.62 4 72.8 23.3
90 5 1 4 23.972 47.943 0.264 9.61 8 92.4 74.9
91 0 2 4 24.075 48.15 0.265 9.51 4 81.5 28.8
92 8 1 1 24.104 48.208 0.265 9.49 8 24.6 5.2
93 1 2 4 24.245 48.491 0.267 9.36 8 123.3 129.9
94 2 1 5 24.302 48.603 0.267 9.31 8 80.7 55.4
95 6 0 4 24.392 48.783 0.268 9.23 4 4.3 0.1
96 2 2 4 24.751 49.503 0.272 8.93 8 76.5 47.8
97 0 3 1 24.826 49.652 0.273 8.87 4 71.9 20.9
98 4 0 5 24.884 49.769 0.273 8.82 4 38.6 6.0
99 6 2 2 24.988 49.976 0.274 8.74 8 26.3 5.5
100 1 3 1 24.993 49.986 0.274 8.74 8 27.7 6.1
101 7 1 3 25.011 50.022 0.274 8.72 8 0.9 0.0
102 2 3 0 25.068 50.135 0.275 8.68 4 96.8 37.1
103 3 1 5 25.139 50.279 0.276 8.62 8 17.3 2.4
104 5 2 3 25.276 50.553 0.277 8.51 8 30.8 7.4
105 8 1 2 25.384 50.768 0.278 8.43 8 32.1 7.9
106 2 3 1 25.488 50.975 0.279 8.35 8 20.8 3.3
107 9 0 1 25.519 51.037 0.28 8.33 4 57.6 12.6
108 3 2 4 25.578 51.156 0.28 8.29 8 63.7 30.7
109 6 1 4 25.806 51.611 0.283 8.12 8 114.2 96.7
110 7 2 1 25.867 51.734 0.283 8.08 8 60.1 26.6
111 8 0 3 26.069 52.138 0.285 7.94 4 57.8 12.1
112 1 3 2 26.241 52.482 0.287 7.82 8 16.1 1.8
113 4 1 5 26.279 52.558 0.287 7.79 8 128.1 116.7
114 3 3 1 26.298 52.595 0.288 7.78 8 70.4 35.2
115 5 0 5 26.354 52.707 0.288 7.74 4 31.1 3.4
116 7 0 4 26.524 53.047 0.29 7.63 4 78.2 21.3
117 4 2 4 26.704 53.409 0.292 7.51 8 70.0 33.6
118 2 3 2 26.719 53.438 0.292 7.5 8 30.9 6.5
119 9 0 2 26.749 53.498 0.292 7.48 4 75.8 19.6
120 0 0 6 26.836 53.671 0.293 7.43 2 168.3 48.0
121 9 1 1 26.89 53.779 0.294 7.4 8 83.5 47.1
122 1 0 6 26.993 53.987 0.295 7.33 4 119.7 48.0
123 4 3 0 27.004 54.009 0.295 7.32 4 44.4 6.6
124 6 2 3 27.046 54.091 0.295 7.3 8 15.9 1.7
125 7 2 2 27.086 54.172 0.296 7.27 8 142.2 134.3
126 4 3 1 27.403 54.806 0.299 7.08 8 30.0 5.8
127 8 1 3 27.42 54.841 0.299 7.07 8 43.0 11.9
128 2 0 6 27.463 54.925 0.299 7.05 4 69.1 15.4
129 3 3 2 27.504 55.007 0.3 7.03 8 79.8 40.9
130 5 1 5 27.696 55.391 0.302 6.91 8 152.1 146.0
131 8 2 0 27.834 55.667 0.303 6.84 4 64.4 12.9
132 7 1 4 27.86 55.72 0.303 6.82 8 21.8 3.0
133 1 2 5 27.943 55.886 0.304 6.78 8 26.7 4.4
134 6 0 5 28.075 56.15 0.305 6.7 4 135.2 55.9
135 9 1 2 28.078 56.156 0.306 6.7 8 160.1 157.0
136 0 3 3 28.081 56.162 0.306 6.7 4 258.8 204.9
137 5 2 4 28.106 56.213 0.306 6.69 8 218.1 290.6
138 10 0 0 28.12 56.239 0.306 6.68 2 117.4 21.0
139 8 2 1 28.225 56.449 0.307 6.62 8 53.8 17.5
140 3 0 6 28.233 56.466 0.307 6.62 4 254.7 196.1
141 1 3 3 28.234 56.468 0.307 6.62 8 84.1 42.7
142 1 1 6 28.315 56.629 0.308 6.58 8 96.9 56.4
143 2 2 5 28.402 56.803 0.309 6.53 8 39.6 9.3
144 10 0 1 28.508 57.016 0.31 6.48 4 21.4 1.4
145 4 3 2 28.577 57.155 0.31 6.44 8 29.7 5.2
146 2 3 3 28.69 57.379 0.312 6.38 8 87.7 44.9
147 9 0 3 28.718 57.436 0.312 6.37 4 11.8 0.4
148 2 1 6 28.769 57.539 0.312 6.34 8 5.5 0.2
149 5 3 1 28.782 57.564 0.313 6.34 8 183.3 194.4
150 8 0 4 28.844 57.689 0.313 6.31 4 64.4 11.9
151 7 2 3 29.04 58.08 0.315 6.21 8 47.0 12.5
152 3 2 5 29.156 58.311 0.316 6.16 8 71.4 28.7
153 4 0 6 29.289 58.578 0.318 6.09 4 140.2 54.7
154 6 1 5 29.364 58.728 0.318 6.06 8 69.8 27.0
155 8 2 2 29.377 58.754 0.318 6.05 8 70.6 27.6
156 10 1 0 29.407 58.815 0.319 6.04 4 228.8 144.4
157 3 3 3 29.439 58.878 0.319 6.02 8 99.9 54.9
158 3 1 6 29.517 59.035 0.32 5.99 8 8.2 0.4
159 10 0 2 29.654 59.307 0.321 5.93 4 12.9 0.5
160 6 2 4 29.76 59.52 0.322 5.88 8 16.5 1.5
161 10 1 1 29.785 59.57 0.322 5.87 8 118.7 75.4
162 5 3 2 29.921 59.842 0.324 5.81 8 77.2 31.6
163 9 1 3 29.989 59.979 0.324 5.78 8 33.9 6.1
164 7 0 5 30.024 60.049 0.325 5.76 4 36.5 3.5
165 6 3 0 30.039 60.079 0.325 5.76 4 7.6 0.2
166 8 1 4 30.112 60.225 0.326 5.73 8 80.6 34.0
167 4 2 5 30.191 60.383 0.326 5.69 8 15.4 1.2
168 6 3 1 30.412 60.825 0.329 5.6 8 48.8 12.2
169 4 3 3 30.469 60.937 0.329 5.58 8 64.1 20.9
170 4 1 6 30.546 61.091 0.33 5.55 8 16.4 1.4
171 5 0 6 30.613 61.227 0.331 5.52 4 18.8 0.9
172 9 2 1 30.75 61.501 0.332 5.46 8 107.2 57.3
173 1 3 4 30.88 61.761 0.333 5.41 8 5.0 0.1
174 10 1 2 30.901 61.802 0.333 5.41 8 50.8 12.8
175 8 2 3 31.239 62.477 0.337 5.28 8 52.2 13.1
176 7 1 5 31.263 62.526 0.337 5.27 8 99.2 47.4
177 2 3 4 31.312 62.624 0.337 5.25 8 11.9 0.7
178 9 0 4 31.339 62.678 0.338 5.24 4 147.0 51.7
179 5 2 5 31.493 62.985 0.339 5.18 8 79.8 30.1
180 10 0 3 31.505 63.01 0.339 5.18 4 168.8 67.4
181 6 3 2 31.515 63.03 0.339 5.18 8 27.8 3.7
182 11 0 1 31.593 63.185 0.34 5.15 4 49.9 5.8
183 7 2 4 31.645 63.289 0.341 5.13 8 116.6 63.7
184 5 3 3 31.763 63.527 0.342 5.09 8 10.6 0.5
185 5 1 6 31.839 63.677 0.342 5.06 8 29.0 3.9
186 9 2 2 31.847 63.693 0.343 5.06 8 85.9 34.1
187 1 0 7 31.923 63.846 0.343 5.03 4 16.2 0.6
188 0 2 6 31.924 63.848 0.343 5.03 4 166.7 63.9
189 3 3 4 32.024 64.048 0.344 5.0 8 71.9 23.6
190 1 2 6 32.066 64.132 0.345 4.98 8 181.8 150.5
191 8 0 5 32.183 64.366 0.346 4.94 4 36.3 3.0
192 6 0 6 32.188 64.375 0.346 4.94 4 16.5 0.6
193 7 3 1 32.275 64.55 0.347 4.91 8 36.8 6.1
194 2 0 7 32.347 64.693 0.347 4.89 4 11.6 0.3
195 2 2 6 32.489 64.977 0.349 4.84 8 21.5 2.0
196 9 1 4 32.549 65.098 0.349 4.83 8 44.8 8.9
197 11 0 2 32.673 65.346 0.35 4.79 4 52.7 6.1
198 10 1 3 32.712 65.423 0.351 4.77 8 57.3 14.3
199 11 1 1 32.797 65.595 0.352 4.75 8 9.3 0.4
200 0 1 7 32.982 65.964 0.353 4.69 4 96.3 19.9
201 4 3 4 33.007 66.014 0.354 4.68 8 79.3 26.9
202 6 2 5 33.044 66.087 0.354 4.67 8 48.2 9.9
203 3 0 7 33.047 66.093 0.354 4.67 4 33.4 2.4
204 10 2 0 33.084 66.168 0.354 4.66 4 32.6 2.3
205 1 1 7 33.121 66.242 0.355 4.65 8 35.9 5.5
206 3 2 6 33.187 66.374 0.355 4.63 8 126.7 67.9
207 6 3 3 33.307 66.615 0.356 4.59 8 9.8 0.4
208 7 3 2 33.343 66.686 0.357 4.58 8 74.8 23.4
209 8 1 5 33.376 66.753 0.357 4.57 8 68.5 19.6
210 6 1 6 33.381 66.761 0.357 4.57 8 24.9 2.6
211 0 4 0 33.419 66.838 0.358 4.56 2 531.5 294.1
212 10 2 1 33.438 66.875 0.358 4.56 8 16.7 1.2
213 2 1 7 33.537 67.074 0.359 4.53 8 89.2 32.9
214 9 2 3 33.629 67.259 0.359 4.5 8 11.9 0.6
215 8 2 4 33.745 67.49 0.361 4.47 8 67.0 18.3
216 11 1 2 33.857 67.715 0.362 4.44 8 63.9 16.5
217 1 4 1 33.909 67.817 0.362 4.42 8 6.9 0.2
218 0 3 5 33.966 67.932 0.363 4.41 4 3.9 0.0
219 2 4 0 33.971 67.941 0.363 4.41 4 11.0 0.2
220 7 0 6 33.996 67.993 0.363 4.4 4 16.6 0.6
221 10 0 4 34.001 68.002 0.363 4.4 4 63.6 8.1
222 8 3 0 34.006 68.012 0.363 4.4 4 121.3 29.5
223 4 0 7 34.014 68.028 0.363 4.39 4 41.8 3.5
224 1 3 5 34.103 68.207 0.364 4.37 8 21.3 1.8
225 4 2 6 34.153 68.305 0.364 4.36 8 2.1 0.0
226 3 1 7 34.224 68.449 0.365 4.34 8 1.1 0.0
227 5 3 4 34.249 68.498 0.365 4.33 8 91.6 33.2
228 2 4 1 34.32 68.64 0.366 4.31 8 22.8 2.0
229 8 3 1 34.355 68.71 0.366 4.31 8 12.2 0.6
230 11 0 3 34.434 68.867 0.367 4.28 4 104.8 21.5
231 12 0 0 34.442 68.885 0.367 4.28 2 37.3 1.4
232 10 2 2 34.488 68.975 0.368 4.27 8 173.8 117.8
233 2 3 5 34.513 69.027 0.368 4.26 8 69.6 18.8
234 9 0 5 34.539 69.078 0.368 4.26 4 128.3 32.0
235 12 0 1 34.789 69.579 0.37 4.2 4 54.5 5.7
236 0 4 2 34.816 69.633 0.371 4.19 4 21.1 0.9
237 7 2 5 34.83 69.66 0.371 4.19 8 31.4 3.8
238 1 4 2 34.952 69.904 0.372 4.16 8 8.5 0.3
239 3 4 1 35.0 70.0 0.372 4.14 8 60.0 13.6
240 7 3 3 35.087 70.175 0.373 4.12 8 6.9 0.2
241 7 1 6 35.159 70.318 0.374 4.11 8 71.4 19.1
242 10 1 4 35.163 70.327 0.374 4.11 8 32.5 4.0
243 4 1 7 35.176 70.353 0.374 4.1 8 49.2 9.1
244 3 3 5 35.192 70.384 0.374 4.1 8 30.0 3.4
245 5 0 7 35.239 70.478 0.375 4.09 4 76.3 10.9
246 2 4 2 35.357 70.715 0.376 4.06 8 26.3 2.6
247 5 2 6 35.375 70.751 0.376 4.06 8 86.2 27.5
248 8 3 2 35.392 70.785 0.376 4.05 8 12.4 0.6
249 11 1 3 35.589 71.179 0.378 4.01 8 41.9 6.4
250 12 1 0 35.598 71.196 0.378 4.01 4 23.3 1.0
251 4 4 0 35.601 71.201 0.378 4.01 4 64.1 7.5
252 9 1 5 35.693 71.387 0.379 3.99 8 34.8 4.4
253 6 3 4 35.739 71.479 0.379 3.98 8 104.6 39.7
254 12 0 2 35.821 71.642 0.38 3.96 4 91.2 15.0
255 12 1 1 35.94 71.88 0.381 3.93 8 65.0 15.2
256 4 4 1 35.943 71.885 0.381 3.93 8 53.8 10.4
257 8 0 6 36.028 72.056 0.382 3.91 4 32.6 1.9
258 3 4 2 36.029 72.058 0.382 3.91 8 20.1 1.4
259 9 2 4 36.051 72.102 0.382 3.91 8 3.0 0.0
260 4 3 5 36.132 72.265 0.383 3.89 8 111.9 44.5
261 10 2 3 36.206 72.413 0.383 3.88 8 235.0 195.5
262 11 2 1 36.288 72.576 0.384 3.86 8 84.8 25.3
263 5 1 7 36.384 72.768 0.385 3.84 8 87.4 26.8
264 1 2 7 36.597 73.195 0.387 3.8 8 70.5 17.2
265 9 3 1 36.644 73.288 0.387 3.79 8 71.1 17.5
266 1 4 3 36.661 73.322 0.388 3.78 8 41.8 6.0
267 6 0 7 36.712 73.424 0.388 3.77 4 101.9 17.9
268 11 0 4 36.832 73.664 0.389 3.75 4 71.9 8.9
269 8 2 5 36.842 73.683 0.389 3.75 8 117.7 47.4
270 6 2 6 36.846 73.692 0.389 3.75 8 34.8 4.1
271 12 1 2 36.958 73.916 0.39 3.73 8 42.9 6.3
272 4 4 2 36.961 73.921 0.39 3.73 8 72.1 17.7
273 2 2 7 36.995 73.991 0.391 3.72 8 30.8 3.2
274 0 0 8 37.007 74.014 0.391 3.72 2 142.8 17.3
275 2 4 3 37.059 74.118 0.391 3.71 8 21.9 1.6
276 10 0 5 37.088 74.176 0.391 3.7 4 93.5 14.8
277 8 3 3 37.093 74.186 0.391 3.7 8 15.4 0.8
278 1 0 8 37.139 74.278 0.392 3.69 4 17.4 0.5
279 5 4 1 37.14 74.28 0.392 3.69 8 102.7 35.6
280 8 1 6 37.163 74.326 0.392 3.69 8 55.1 10.2
281 11 2 2 37.303 74.605 0.393 3.66 8 60.7 12.3
282 5 3 5 37.327 74.655 0.394 3.66 8 127.4 54.2
283 7 3 4 37.468 74.936 0.395 3.63 8 21.0 1.5
284 12 0 3 37.514 75.028 0.395 3.63 4 51.8 4.4
285 2 0 8 37.535 75.07 0.395 3.62 4 159.1 41.9
286 9 3 2 37.655 75.31 0.397 3.6 8 148.8 72.8
287 3 2 7 37.655 75.311 0.397 3.6 8 46.8 7.2
288 3 4 3 37.718 75.437 0.397 3.59 8 7.3 0.2
289 6 1 7 37.839 75.678 0.398 3.57 8 63.8 13.3
290 1 3 6 37.858 75.717 0.398 3.57 8 83.9 22.9
291 11 1 4 37.958 75.915 0.399 3.55 8 50.7 8.3
292 13 0 1 38.12 76.24 0.401 3.52 4 48.4 3.8
293 5 4 2 38.146 76.292 0.401 3.52 8 173.6 96.8
294 3 0 8 38.192 76.383 0.401 3.51 4 1.8 0.0
295 10 1 5 38.211 76.422 0.402 3.51 8 54.2 9.4
296 2 3 6 38.252 76.503 0.402 3.5 8 27.0 2.3
297 6 4 0 38.252 76.503 0.402 3.5 4 97.0 15.0
298 1 1 8 38.262 76.523 0.402 3.5 8 56.1 10.0
299 9 0 6 38.276 76.553 0.402 3.5 4 17.6 0.5
300 7 0 7 38.424 76.848 0.403 3.48 4 18.5 0.5
301 7 2 6 38.556 77.112 0.405 3.46 8 51.5 8.4
302 10 2 4 38.56 77.12 0.405 3.45 8 96.5 29.4
303 4 2 7 38.573 77.145 0.405 3.45 8 59.9 11.3
304 6 4 1 38.585 77.17 0.405 3.45 8 52.4 8.7
305 12 1 3 38.633 77.266 0.405 3.44 8 71.3 16.0
306 4 4 3 38.635 77.271 0.405 3.44 8 34.9 3.8
307 2 1 8 38.654 77.307 0.405 3.44 8 38.6 4.7
308 6 3 5 38.77 77.54 0.406 3.42 8 73.3 16.8
309 10 3 0 38.808 77.616 0.407 3.42 4 213.3 71.0
310 0 4 4 38.875 77.75 0.407 3.41 4 76.1 9.0
311 3 3 6 38.904 77.809 0.408 3.4 8 9.7 0.3
312 11 2 3 38.972 77.944 0.408 3.39 8 118.7 43.7
313 12 2 0 38.981 77.961 0.408 3.39 4 72.8 8.2
314 1 4 4 39.005 78.01 0.409 3.39 8 78.0 18.8
315 9 2 5 39.073 78.146 0.409 3.38 8 142.1 62.3
316 4 0 8 39.105 78.21 0.409 3.37 4 30.1 1.4
317 13 0 2 39.118 78.236 0.41 3.37 4 1.7 0.0
318 10 3 1 39.139 78.279 0.41 3.37 8 121.9 45.7
319 13 1 1 39.233 78.467 0.411 3.36 8 56.4 9.7
320 3 1 8 39.304 78.609 0.411 3.35 8 24.7 1.9
321 12 2 1 39.312 78.624 0.411 3.35 8 4.4 0.1
322 9 3 3 39.32 78.639 0.411 3.34 8 36.4 4.1
323 9 1 6 39.388 78.777 0.412 3.33 8 15.0 0.7
324 2 4 4 39.395 78.79 0.412 3.33 8 75.2 17.2
325 8 3 4 39.428 78.857 0.412 3.33 8 61.4 11.5
326 7 1 7 39.535 79.069 0.413 3.32 8 49.7 7.5
327 6 4 2 39.579 79.158 0.414 3.31 8 59.9 10.8
328 5 2 7 39.742 79.485 0.415 3.29 8 136.1 55.6
329 5 4 3 39.805 79.609 0.416 3.28 8 7.9 0.2
330 4 3 6 39.813 79.626 0.416 3.28 8 18.2 1.0
331 11 0 5 39.833 79.666 0.416 3.28 4 40.9 2.5
332 12 0 4 39.841 79.683 0.416 3.27 4 63.5 6.0
333 3 4 4 40.042 80.085 0.418 3.25 8 7.3 0.2
334 10 3 2 40.13 80.26 0.418 3.24 8 40.8 4.9
335 4 1 8 40.211 80.421 0.419 3.23 8 38.3 4.3
336 13 1 2 40.223 80.446 0.419 3.23 8 52.5 8.1
337 5 0 8 40.271 80.541 0.42 3.22 4 78.5 9.1
338 7 4 1 40.271 80.543 0.42 3.22 8 74.3 16.2
339 12 2 2 40.301 80.602 0.42 3.22 8 37.4 4.1
340 8 0 7 40.371 80.741 0.42 3.21 4 98.9 14.3
341 7 3 5 40.454 80.909 0.421 3.2 8 85.0 21.1
342 8 2 6 40.501 81.001 0.422 3.19 8 8.8 0.2
343 10 0 6 40.74 81.481 0.424 3.17 4 10.8 0.2
344 13 0 3 40.765 81.531 0.424 3.16 4 66.0 6.3
345 11 1 5 40.934 81.867 0.425 3.15 8 16.4 0.8
346 12 1 4 40.942 81.884 0.425 3.14 8 16.4 0.8
347 4 4 4 40.944 81.889 0.425 3.14 8 38.7 4.3
348 5 3 6 40.973 81.947 0.426 3.14 8 22.0 1.4
349 6 2 7 41.16 82.321 0.427 3.12 8 142.9 58.2
350 6 4 3 41.222 82.444 0.428 3.11 8 70.2 14.0
351 7 4 2 41.255 82.511 0.428 3.11 8 64.5 11.8
352 11 2 4 41.277 82.553 0.428 3.11 8 1.1 0.0
353 14 0 0 41.288 82.576 0.428 3.11 2 40.1 1.1
354 5 1 8 41.369 82.737 0.429 3.1 8 26.3 2.0
355 0 2 8 41.446 82.892 0.43 3.09 4 53.9 4.1
356 8 1 7 41.468 82.936 0.43 3.09 8 91.6 23.7
357 10 2 5 41.525 83.05 0.43 3.08 8 39.1 4.3
358 1 2 8 41.574 83.149 0.431 3.08 8 12.0 0.4
359 14 0 1 41.615 83.229 0.431 3.07 4 42.8 2.6
360 9 3 4 41.619 83.239 0.431 3.07 8 54.2 8.2
361 6 0 8 41.685 83.369 0.432 3.07 4 60.2 5.1
362 10 3 3 41.768 83.536 0.432 3.06 8 53.8 8.1
363 10 1 6 41.836 83.672 0.433 3.05 8 105.5 31.0
364 11 3 1 41.847 83.693 0.433 3.05 8 16.4 0.8
365 13 1 3 41.861 83.722 0.433 3.05 8 23.5 1.5
366 8 4 0 41.871 83.743 0.433 3.05 4 151.7 32.1
367 12 2 3 41.938 83.876 0.434 3.04 8 61.1 10.4
368 2 2 8 41.959 83.917 0.434 3.04 8 59.8 9.9
369 1 4 5 41.962 83.925 0.434 3.04 8 43.3 5.2
370 0 3 7 42.016 84.032 0.434 3.04 4 86.0 10.3
371 5 4 4 42.099 84.197 0.435 3.03 8 114.1 36.0
372 1 3 7 42.144 84.288 0.436 3.03 8 21.9 1.3
373 8 4 1 42.198 84.395 0.436 3.02 8 58.6 9.5
374 2 4 5 42.346 84.692 0.437 3.01 8 94.5 24.5
375 8 3 5 42.379 84.758 0.438 3.0 8 64.3 11.3
376 14 1 0 42.381 84.762 0.438 3.0 4 206.4 58.4
377 6 3 6 42.383 84.766 0.438 3.0 8 4.2 0.0
378 2 3 7 42.527 85.054 0.439 2.99 8 83.2 18.9
379 13 2 1 42.528 85.056 0.439 2.99 8 24.3 1.6
380 9 0 7 42.551 85.103 0.439 2.99 4 54.0 4.0
381 14 0 2 42.593 85.185 0.439 2.99 4 25.1 0.9
382 3 2 8 42.598 85.196 0.439 2.99 8 57.3 9.0
383 9 2 6 42.68 85.361 0.44 2.98 8 83.9 19.2
384 14 1 1 42.706 85.413 0.44 2.98 8 20.4 1.1
385 1 0 9 42.749 85.498 0.441 2.97 4 117.3 18.7
386 6 1 8 42.776 85.552 0.441 2.97 8 146.7 58.4
387 12 0 5 42.786 85.572 0.441 2.97 4 85.4 9.9
388 11 3 2 42.824 85.648 0.441 2.97 8 62.0 10.4
389 7 2 7 42.824 85.649 0.441 2.97 8 32.8 2.9
390 7 4 3 42.886 85.771 0.442 2.96 8 3.6 0.0
391 3 4 5 42.984 85.969 0.443 2.96 8 61.0 10.0
392 13 0 4 43.05 86.099 0.443 2.95 4 15.6 0.3
393 2 0 9 43.132 86.264 0.444 2.94 4 50.2 3.4
394 3 3 7 43.165 86.331 0.444 2.94 8 9.6 0.2
395 8 4 2 43.174 86.348 0.444 2.94 8 44.5 5.3
396 7 0 8 43.346 86.692 0.446 2.93 4 70.7 6.7
397 11 0 6 43.428 86.856 0.446 2.92 4 74.6 7.4
398 4 2 8 43.491 86.982 0.447 2.92 8 160.1 68.3
399 6 4 4 43.503 87.006 0.447 2.92 8 0.2 0.0
400 13 2 2 43.503 87.007 0.447 2.92 8 2.1 0.0
401 9 1 7 43.64 87.28 0.448 2.91 8 107.8 30.8
402 14 1 2 43.681 87.363 0.448 2.91 8 57.7 8.8
403 0 1 9 43.71 87.42 0.449 2.9 4 15.6 0.3
404 3 0 9 43.769 87.538 0.449 2.9 4 25.8 0.9
405 0 5 1 43.832 87.665 0.45 2.9 4 40.0 2.1
406 1 1 9 43.837 87.674 0.45 2.89 8 134.5 47.8
407 12 1 5 43.874 87.749 0.45 2.89 8 53.5 7.6
408 4 4 5 43.877 87.754 0.45 2.89 8 21.6 1.2
409 1 5 1 43.96 87.919 0.451 2.89 8 40.9 4.4
410 2 5 0 44.017 88.034 0.451 2.88 4 32.6 1.4
411 7 3 6 44.041 88.082 0.451 2.88 8 61.6 10.0
412 10 3 4 44.045 88.09 0.451 2.88 8 25.8 1.8
413 4 3 7 44.057 88.115 0.451 2.88 8 35.9 3.4
414 13 1 4 44.137 88.275 0.452 2.88 8 11.3 0.3
415 11 2 5 44.206 88.412 0.453 2.87 8 82.3 17.8
416 12 2 4 44.214 88.428 0.453 2.87 8 46.6 5.7
417 14 0 3 44.217 88.434 0.453 2.87 4 129.6 22.0
418 2 1 9 44.219 88.439 0.453 2.87 8 32.1 2.7
419 2 5 1 44.342 88.683 0.454 2.86 8 32.9 2.8
420 9 4 1 44.366 88.731 0.454 2.86 8 59.7 9.3
421 7 1 8 44.433 88.866 0.454 2.86 8 1.2 0.0
422 11 3 3 44.448 88.896 0.455 2.86 8 30.6 2.4
423 12 3 0 44.456 88.912 0.455 2.86 4 19.7 0.5
424 11 1 6 44.515 89.03 0.455 2.85 8 177.1 81.8
425 9 3 5 44.546 89.093 0.455 2.85 8 22.1 1.3
426 5 2 8 44.637 89.274 0.456 2.85 8 36.7 3.5
427 4 0 9 44.66 89.321 0.456 2.85 4 0.4 0.0
428 8 2 7 44.736 89.471 0.457 2.84 8 41.5 4.5
429 12 3 1 44.78 89.561 0.457 2.84 8 58.0 8.7
430 8 4 3 44.797 89.594 0.457 2.84 8 54.9 7.8
431 3 1 9 44.856 89.711 0.458 2.84 8 142.5 52.5
432 1 5 2 44.933 89.866 0.458 2.83 8 29.6 2.3
433 10 0 7 44.973 89.945 0.459 2.83 4 47.7 2.9
434 3 5 1 44.978 89.956 0.459 2.83 8 38.1 3.7
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 2 0 1 6.927 13.854 6.38662 47.2 3.0 3.1 5.6
2 0 0 2 8.655 17.309 5.1189 61.5 4.0 4.0 5.6
3 0 1 1 9.027 18.055 4.90918 178.9 11.5 11.6 5.6
4 3 0 1 9.217 18.433 4.80925 178.7 11.5 11.6 5.6
5 1 1 1 9.429 18.859 4.70165 171.5 11.0 11.1 5.6
6 2 1 0 9.606 19.211 4.61617 142.9 9.2 9.3 5.6
7 2 0 2 10.228 20.456 4.33804 41.8 2.7 2.7 5.6
8 2 1 1 10.547 21.094 4.20818 70.3 4.5 4.6 5.6
9 4 0 0 10.867 21.734 4.0858 147.6 9.5 9.6 5.6
10 4 0 1 11.712 23.423 3.79476 121.4 7.8 7.9 5.6
11 3 0 2 11.916 23.833 3.73045 38.8 2.5 2.5 5.6
12 1 1 2 12.084 24.167 3.67955 32.1 2.1 2.1 5.6
13 3 1 1 12.194 24.387 3.6469 235.4 15.1 15.2 5.6
14 2 1 2 12.985 25.97 3.42812 53.6 3.4 3.5 5.6
15 1 0 3 13.331 26.663 3.34055 41.4 2.7 2.7 5.6
16 4 1 0 13.5 27.001 3.2995 32.2 2.1 2.1 5.6
17 4 0 2 13.958 27.917 3.19331 157.1 10.1 10.1 5.6
18 4 1 1 14.198 28.397 3.14043 39.8 2.6 2.6 5.6
19 5 0 1 14.322 28.645 3.11379 304.7 19.6 19.6 5.6
20 3 1 2 14.37 28.74 3.10368 193.4 12.4 12.5 5.6
21 0 1 3 15.331 30.662 2.91333 1554.8 100.0 100.0 5.6
22 1 1 3 15.579 31.158 2.86812 202.3 13.0 13.0 5.6
23 0 2 0 15.985 31.969 2.79715 628.8 40.4 40.4 5.6
24 5 0 2 16.237 32.473 2.7549 537.8 34.6 34.5 5.6
25 2 1 3 16.302 32.604 2.74415 236.4 15.2 15.2 5.6
26 5 1 1 16.446 32.892 2.72073 1155.8 74.3 74.2 5.6
27 2 2 0 16.922 33.844 2.6464 257.0 16.5 16.5 5.7
28 6 0 1 17.015 34.031 2.63229 44.2 2.8 2.8 5.7
29 4 0 3 17.103 34.206 2.61918 15.8 1.0 1.0 5.7
30 3 1 3 17.447 34.895 2.56904 282.5 18.2 18.1 5.7
31 0 0 4 17.515 35.03 2.55945 90.3 5.8 5.8 5.7
32 1 0 4 17.736 35.471 2.52863 94.4 6.1 6.0 5.7
33 5 1 2 18.16 36.319 2.47148 77.1 5.0 4.9 5.7
34 0 2 2 18.289 36.578 2.45459 151.0 9.7 9.7 5.7
35 2 0 4 18.383 36.767 2.44245 89.2 5.7 5.7 5.7
36 1 2 2 18.502 37.003 2.42737 214.2 13.8 13.7 5.7
37 3 2 1 18.577 37.153 2.41792 65.8 4.2 4.2 5.7
38 6 0 2 18.683 37.366 2.40462 22.4 1.4 1.4 5.7
39 6 1 1 18.869 37.738 2.3818 39.2 2.5 2.5 5.7
40 4 1 3 18.949 37.898 2.37207 149.8 9.6 9.6 5.7
41 2 2 2 19.127 38.254 2.35083 148.4 9.5 9.5 5.7
42 7 0 1 19.779 39.558 2.2763 92.5 6.0 5.9 5.7
43 4 2 1 20.005 40.011 2.25158 140.7 9.0 9.0 5.7
44 3 2 2 20.133 40.265 2.23792 85.0 5.5 5.4 5.7
45 6 1 2 20.406 40.812 2.20919 20.3 1.3 1.3 5.7
46 1 2 3 21.049 42.099 2.14461 106.9 6.9 6.8 5.7
47 3 1 4 21.094 42.188 2.14029 75.5 4.9 4.8 5.7
48 6 0 3 21.212 42.425 2.12887 98.5 6.3 6.3 5.7
49 7 0 2 21.261 42.522 2.12422 53.0 3.4 3.4 5.7
50 7 1 1 21.428 42.856 2.10844 42.5 2.7 2.7 5.7
51 4 2 2 21.475 42.949 2.10409 26.1 1.7 1.7 5.7
52 2 2 3 21.613 43.225 2.09127 409.1 26.3 26.0 5.7
53 5 2 1 21.726 43.453 2.08085 322.9 20.8 20.5 5.7
54 8 0 0 22.151 44.302 2.0429 157.9 10.2 10.0 5.7
55 1 0 5 22.28 44.56 2.03168 17.1 1.1 1.1 5.7
56 4 1 4 22.389 44.777 2.02233 74.8 4.8 4.7 5.7
57 5 0 4 22.473 44.945 2.01517 146.2 9.4 9.3 5.7
58 8 0 1 22.612 45.224 2.0034 39.6 2.5 2.5 5.7
59 2 0 5 22.819 45.638 1.98616 190.2 12.2 12.1 5.7
60 5 2 2 23.107 46.213 1.96278 277.3 17.8 17.6 5.7
61 8 1 0 23.666 47.332 1.91895 108.7 7.0 6.9 5.7
62 3 0 5 23.696 47.393 1.91665 26.1 1.7 1.6 5.7
63 5 1 4 23.972 47.943 1.89591 98.2 6.3 6.2 5.7
64 0 2 4 24.075 48.15 1.88826 28.8 1.9 1.8 5.7
65 1 2 4 24.245 48.491 1.87578 129.9 8.4 8.2 5.7
66 2 1 5 24.302 48.603 1.8717 55.4 3.6 3.5 5.7
67 2 2 4 24.751 49.503 1.83978 47.8 3.1 3.0 5.7
68 0 3 1 24.826 49.652 1.83458 20.9 1.3 1.3 5.7
69 2 3 0 25.068 50.135 1.81803 37.1 2.4 2.3 5.7
70 3 2 4 25.578 51.156 1.78412 30.7 2.0 1.9 5.8
71 6 1 4 25.806 51.611 1.76946 96.7 6.2 6.1 5.8
72 7 2 1 25.867 51.734 1.76555 26.6 1.7 1.7 5.8
73 4 1 5 26.279 52.558 1.73978 151.9 9.8 9.6 5.8
74 7 0 4 26.524 53.047 1.72489 21.3 1.4 1.3 5.8
75 4 2 4 26.704 53.409 1.71406 40.2 2.6 2.5 5.8
76 9 0 2 26.749 53.498 1.71141 19.6 1.3 1.2 5.8
77 0 0 6 26.836 53.671 1.7063 48.0 3.1 3.0 5.8
78 9 1 1 26.89 53.779 1.70313 47.1 3.0 3.0 5.8
79 1 0 6 26.993 53.987 1.69708 54.6 3.5 3.4 5.8
80 7 2 2 27.086 54.172 1.6917 134.3 8.6 8.4 5.8
81 8 1 3 27.42 54.841 1.67265 17.8 1.1 1.1 5.8
82 3 3 2 27.504 55.007 1.66798 40.9 2.6 2.6 5.8
83 5 1 5 27.696 55.391 1.65732 146.0 9.4 9.1 5.8
84 8 2 0 27.834 55.667 1.64975 15.9 1.0 1.0 5.8
85 0 3 3 28.081 56.162 1.63639 729.4 46.9 45.6 5.8
86 1 3 3 28.234 56.468 1.62825 256.3 16.5 16.0 5.8
87 1 1 6 28.315 56.629 1.624 56.4 3.6 3.5 5.8
88 2 3 3 28.69 57.379 1.60454 45.3 2.9 2.8 5.8
89 5 3 1 28.782 57.564 1.59982 194.4 12.5 12.1 5.8
90 3 2 5 29.156 58.311 1.58108 28.7 1.8 1.8 5.8
91 4 0 6 29.289 58.578 1.57451 54.7 3.5 3.4 5.8
92 8 2 2 29.377 58.754 1.57021 54.6 3.5 3.4 5.8
93 10 1 0 29.407 58.815 1.56875 144.4 9.3 9.0 5.8
94 3 3 3 29.439 58.878 1.56722 54.9 3.5 3.4 5.8
95 10 1 1 29.785 59.57 1.55065 76.9 4.9 4.8 5.8
96 5 3 2 29.921 59.842 1.54425 31.6 2.0 2.0 5.8
97 8 1 4 30.112 60.225 1.53535 34.0 2.2 2.1 5.8
98 4 3 3 30.469 60.937 1.51909 20.9 1.3 1.3 5.8
99 9 2 1 30.75 61.501 1.50651 57.3 3.7 3.6 5.8
100 7 1 5 31.263 62.526 1.48425 60.5 3.9 3.8 5.8
101 9 0 4 31.339 62.678 1.48102 51.7 3.3 3.2 5.8
102 10 0 3 31.505 63.01 1.474 101.1 6.5 6.3 5.9
103 7 2 4 31.645 63.289 1.46818 63.7 4.1 3.9 5.9
104 9 2 2 31.847 63.693 1.45984 38.0 2.4 2.4 5.9
105 0 2 6 31.924 63.848 1.45667 63.9 4.1 4.0 5.9
106 3 3 4 32.024 64.048 1.4526 23.6 1.5 1.5 5.9
107 1 2 6 32.066 64.132 1.45091 150.5 9.7 9.3 5.9
108 4 3 4 33.007 66.014 1.41403 46.8 3.0 2.9 5.9
109 3 2 6 33.187 66.374 1.40723 67.9 4.4 4.2 5.9
110 7 3 2 33.343 66.686 1.40139 23.4 1.5 1.4 5.9
111 8 1 5 33.376 66.753 1.40016 22.2 1.4 1.4 5.9
112 0 4 0 33.419 66.838 1.39857 295.3 19.0 18.2 5.9
113 2 1 7 33.537 67.074 1.39424 32.9 2.1 2.0 5.9
114 8 2 4 33.745 67.49 1.38665 18.3 1.2 1.1 5.9
115 11 1 2 33.857 67.715 1.3826 16.5 1.1 1.0 5.9
116 8 3 0 34.006 68.012 1.37727 41.2 2.6 2.5 5.9
117 5 3 4 34.249 68.498 1.36867 33.2 2.1 2.0 5.9
118 11 0 3 34.434 68.867 1.36224 22.9 1.5 1.4 5.9
119 10 2 2 34.488 68.975 1.36037 136.7 8.8 8.4 5.9
120 9 0 5 34.539 69.078 1.35859 32.0 2.1 2.0 5.9
121 7 1 6 35.159 70.318 1.33765 32.2 2.1 2.0 5.9
122 5 2 6 35.375 70.751 1.33052 30.1 1.9 1.8 5.9
123 6 3 4 35.739 71.479 1.31875 39.7 2.6 2.4 5.9
124 12 1 1 35.94 71.88 1.31237 25.6 1.6 1.6 5.9
125 4 3 5 36.132 72.265 1.30633 44.5 2.9 2.7 5.9
126 10 2 3 36.206 72.413 1.30402 195.5 12.6 11.9 5.9
127 11 2 1 36.288 72.576 1.30149 25.3 1.6 1.5 6.0
128 5 1 7 36.384 72.768 1.29853 26.8 1.7 1.6 6.0
129 1 2 7 36.597 73.195 1.29201 17.2 1.1 1.0 6.0
130 9 3 1 36.644 73.288 1.29059 23.5 1.5 1.4 6.0
131 6 0 7 36.712 73.424 1.28855 17.9 1.2 1.1 6.0
132 8 2 5 36.842 73.683 1.28465 60.4 3.9 3.7 6.0
133 4 4 2 36.961 73.921 1.28109 24.0 1.5 1.5 6.0
134 0 0 8 37.007 74.014 1.27972 20.5 1.3 1.2 6.0
135 10 0 5 37.088 74.176 1.27732 16.4 1.1 1.0 6.0
136 5 4 1 37.14 74.28 1.27579 45.8 2.9 2.8 6.0
137 5 3 5 37.327 74.655 1.27031 66.5 4.3 4.0 6.0
138 2 0 8 37.535 75.07 1.26431 46.3 3.0 2.8 6.0
139 9 3 2 37.655 75.31 1.26089 80.0 5.1 4.8 6.0
140 1 3 6 37.858 75.717 1.25512 36.2 2.3 2.2 6.0
141 5 4 2 38.146 76.292 1.24708 100.6 6.5 6.1 6.0
142 1 1 8 38.262 76.523 1.24388 27.9 1.8 1.7 6.0
143 6 4 1 38.585 77.17 1.23507 57.7 3.7 3.5 6.0
144 12 1 3 38.633 77.266 1.23377 24.5 1.6 1.5 6.0
145 6 3 5 38.77 77.54 1.2301 16.8 1.1 1.0 6.0
146 10 3 0 38.808 77.616 1.22909 71.0 4.6 4.3 6.0
147 11 2 3 38.972 77.944 1.22472 51.9 3.3 3.1 6.0
148 1 4 4 39.005 78.01 1.22385 18.8 1.2 1.1 6.0
149 9 2 5 39.073 78.146 1.22207 62.3 4.0 3.8 6.0
150 10 3 1 39.139 78.279 1.22032 45.7 2.9 2.8 6.0
151 2 4 4 39.395 78.79 1.21368 17.2 1.1 1.0 6.0
152 5 2 7 39.742 79.485 1.20481 55.6 3.6 3.3 6.0
153 7 4 1 40.271 80.543 1.19163 29.4 1.9 1.8 6.1
154 7 3 5 40.454 80.909 1.18716 21.1 1.4 1.3 6.1
155 6 2 7 41.16 82.321 1.17034 58.2 3.7 3.5 6.1
156 8 1 7 41.468 82.936 1.16321 27.8 1.8 1.7 6.1
157 10 1 6 41.836 83.672 1.15484 33.3 2.1 2.0 6.1
158 8 4 0 41.871 83.743 1.15404 32.1 2.1 1.9 6.1
159 12 2 3 41.938 83.876 1.15255 25.5 1.6 1.5 6.1
160 5 4 4 42.099 84.197 1.14897 36.0 2.3 2.1 6.1
161 2 4 5 42.346 84.692 1.14352 24.5 1.6 1.5 6.1
162 14 1 0 42.381 84.762 1.14276 69.8 4.5 4.1 6.1
163 2 3 7 42.527 85.054 1.13957 24.5 1.6 1.5 6.1
164 9 2 6 42.68 85.361 1.13626 20.3 1.3 1.2 6.1
165 6 1 8 42.776 85.552 1.13421 86.9 5.6 5.1 6.1
166 4 2 8 43.491 86.982 1.1192 68.3 4.4 4.0 6.1
167 9 1 7 43.64 87.28 1.11614 30.8 2.0 1.8 6.2
168 1 1 9 43.837 87.674 1.11214 49.9 3.2 2.9 6.2
169 10 3 4 44.045 88.09 1.10796 16.5 1.1 1.0 6.2
170 14 0 3 44.217 88.434 1.10453 48.2 3.1 2.8 6.2
171 11 1 6 44.515 89.03 1.09868 81.8 5.3 4.8 6.2
172 12 3 1 44.78 89.561 1.09354 16.5 1.1 1.0 6.2
173 3 1 9 44.856 89.711 1.09209 52.5 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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