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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CASCANDITE
1
CaScSi(3)O(8)(OH)
Triclinic C 1(-) Z = 4
R =0.046
12 .10 .1990
Ref.Str.:
Mellini M., Merlino S. (1983)
* Amer. Mineral., 67, 604-609
Reserv:
See U(jj) in the original
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.791 alpha = 98.91
b = 10.42 beta = 102.63
c = 7.076 gamma = 84.17
Unit cell volume (cub. angs.) = 694.22
Molar volume ( cub.cm/mol.) = 104.54
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0027 0.6629 0.9128 0.0 Ca = 1.00
2 0.9981 0.6421 0.4062 0.0 Sc = 1.00
3 0.2163 0.0402 0.0886 0.0 Si = 1.00
4 0.2102 0.0666 0.5229 0.0 Si = 1.00
5 0.2055 0.8366 0.7399 0.0 Si = 1.00
6 0.116 0.449 0.8729 0.0 O = 1.00
7 0.1176 0.4462 0.4203 0.0 O = 1.00
8 0.1279 0.693 0.2416 0.0 O = 1.00
9 0.1295 0.1568 0.9738 0.0 O = 1.00
10 0.1479 0.2006 0.6291 0.0 O = 1.00
11 0.1113 0.7139 0.6736 0.0 O = 1.00
12 0.1571 0.0538 0.2871 0.0 O = 1.00
13 0.1507 0.9458 0.594 0.0 O = 1.00
14 0.1815 0.8981 0.9601 0.0 O = 1.00
15 0.13 0.18 0.86 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0027 0.6629 0.9128
2 2 0.9981 0.6421 0.4062
3 3 0.2163 0.0402 0.0886
4 4 0.2102 0.0666 0.5229
5 5 0.2055 0.8366 0.7399
6 6 0.116 0.449 0.8729
7 7 0.1176 0.4462 0.4203
8 8 0.1279 0.693 0.2416
9 9 0.1295 0.1568 0.9738
10 10 0.1479 0.2006 0.6291
11 11 0.1113 0.7139 0.6736
12 12 0.1571 0.0538 0.2871
13 13 0.1507 0.9458 0.594
14 14 0.1815 0.8981 0.9601
15 15 0.13 0.18 0.86
16 1 0.9973 0.3371 0.0872
17 2 0.0019 0.3579 0.5938
18 3 0.7837 0.9598 0.9114
19 4 0.7898 0.9334 0.4771
20 5 0.7945 0.1634 0.2601
21 6 0.884 0.551 0.1271
22 7 0.8824 0.5538 0.5797
23 8 0.8721 0.307 0.7584
24 9 0.8705 0.8432 0.0262
25 10 0.8521 0.7994 0.3709
26 11 0.8887 0.2861 0.3264
27 12 0.8429 0.9462 0.7129
28 13 0.8493 0.0542 0.406
29 14 0.8185 0.1019 0.0399
30 15 0.87 0.82 0.14
31 1 0.4973 0.8371 0.0872
32 2 0.5019 0.8579 0.5938
33 3 0.2837 0.4598 0.9114
34 4 0.2898 0.4334 0.4771
35 5 0.2945 0.6634 0.2601
36 6 0.384 0.051 0.1271
37 7 0.3824 0.0538 0.5797
38 8 0.3721 0.807 0.7584
39 9 0.3705 0.3432 0.0262
40 10 0.3521 0.2994 0.3709
41 11 0.3887 0.7861 0.3264
42 12 0.3429 0.4462 0.7129
43 13 0.3493 0.5542 0.406
44 14 0.3185 0.6019 0.0399
45 15 0.37 0.32 0.14
46 1 0.5027 0.1629 0.9128
47 2 0.4981 0.1421 0.4062
48 3 0.7163 0.5402 0.0886
49 4 0.7102 0.5666 0.5229
50 5 0.7055 0.3366 0.7399
51 6 0.616 0.949 0.8729
52 7 0.6176 0.9462 0.4203
53 8 0.6279 0.193 0.2416
54 9 0.6295 0.6568 0.9738
55 10 0.6479 0.7006 0.6291
56 11 0.6113 0.2139 0.6736
57 12 0.6571 0.5538 0.2871
58 13 0.6507 0.4458 0.594
59 14 0.6815 0.3981 0.9601
60 15 0.63 0.68 0.86
X-ray density (g/cm cub.) = 3.01
MU (1/cm) = 205.908 Mass attenuation coefficient (cm**2/g) = 68.496
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 6
2.3912 6
2.3704 8
2.3363 11
2.5697 6
2.5423 7
2.3113 9
2 Sc 2.628 6
2.2522 7
2.0563 8
2.0448 11
2.1724 6
2.1925 7
2.0705 10
3 Si 2.1 4
1.6286 9
1.6145 12
1.6387 14
1.6172 6
4 Si 2.1 4
1.609 10
1.6241 12
1.628 13
1.6421 7
5 Si 2.1 4
1.6031 11
1.6267 13
1.6474 14
1.6093 8
6 O 3.264 9
3.2017 7
3.2168 9
2.9088 10
3.1983 6
2.9744 7
2.837 8
2.6891 9
2.7008 12
2.6267 14
7 O 3.264 10
3.2017 6
3.0559 8
3.1057 10
3.076 11
2.9744 6
2.8376 7
2.8306 11
2.6843 10
2.675 12
2.6603 13
8 O 3.264 8
3.0559 7
3.0695 11
2.837 6
3.063 9
3.0848 10
2.7339 11
2.6316 13
2.6088 14
9 O 3.264 8
3.2168 6
2.5969 10
2.5604 12
3.2281 13
2.6827 14
3.063 8
2.6891 6
3.131 9
10 O 3.264 9
2.9088 6
3.1057 7
2.5969 9
2.6693 12
2.6259 13
3.0848 8
3.0946 11
2.6843 7
3.2517 12
11 O 3.264 8
3.076 7
3.0695 8
2.6478 13
2.5922 14
2.8306 7
3.0946 10
2.7339 8
3.2175 14
12 O 3.264 7
2.5604 9
2.6693 10
2.611 13
2.6539 14
2.7008 6
2.675 7
3.2517 10
13 O 3.264 8
3.2281 9
2.6259 10
2.6478 11
2.611 12
2.66 14
3.1346 13
2.6603 7
2.6316 8
14 O 3.264 7
2.6827 9
2.5922 11
2.6539 12
2.66 13
2.6267 6
2.6088 8
3.2175 11
15 H 1.632 1
0.877 9
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 6.104 12.208 0.069 173.91 2 44.1 140.6
2 0 0 1 6.466 12.932 0.073 154.74 2 21.7 30.4
3 -1 1 0 6.55 13.099 0.074 150.76 2 61.2 234.2
4 -1 -1 1 7.693 15.387 0.087 108.65 2 15.9 11.4
5 0 2 0 8.628 17.257 0.097 85.92 2 19.7 13.9
6 -1 1 1 8.958 17.915 0.101 79.56 2 10.8 3.8
7 2 0 0 9.302 18.605 0.105 73.62 2 24.7 18.6
8 1 -1 1 9.483 18.965 0.107 70.76 2 13.3 5.2
9 1 1 1 9.984 19.968 0.113 63.62 2 22.8 13.7
10 0 -2 1 10.07 20.139 0.113 62.51 2 70.6 129.3
11 -2 0 1 10.189 20.379 0.115 61.0 2 46.2 54.1
12 0 2 1 11.509 23.017 0.13 47.35 2 94.4 175.3
13 2 2 0 12.279 24.558 0.138 41.35 2 124.6 266.3
14 -2 -2 1 12.354 24.708 0.139 40.82 2 25.9 11.4
15 2 0 1 12.43 24.859 0.14 40.3 2 41.8 29.3
16 -1 -1 2 12.908 25.816 0.145 37.22 2 62.0 59.4
17 0 0 2 13.016 26.033 0.146 36.57 2 78.8 94.2
18 -2 2 0 13.187 26.374 0.148 35.58 2 77.7 89.2
19 1 3 0 13.515 27.031 0.152 33.77 2 22.2 6.9
20 -1 -3 1 13.765 27.53 0.154 32.49 2 100.9 137.3
21 -1 3 0 14.146 28.292 0.159 30.65 2 194.3 480.3
22 -1 1 2 14.28 28.56 0.16 30.04 2 67.0 56.0
23 -3 -1 1 14.294 28.588 0.16 29.98 2 27.3 9.3
24 -2 0 2 14.397 28.794 0.161 29.52 2 43.7 23.4
25 -2 2 1 14.398 28.795 0.161 29.52 2 63.2 48.9
26 3 1 0 14.402 28.804 0.161 29.5 2 194.4 462.9
27 0 -2 2 14.654 29.308 0.164 28.43 2 22.7 6.1
28 1 -1 2 14.96 29.92 0.168 27.2 2 57.6 37.4
29 -3 1 0 14.998 29.997 0.168 27.05 2 181.8 371.0
30 2 -2 1 15.073 30.146 0.169 26.77 2 93.3 96.6
31 1 -3 1 15.256 30.513 0.171 26.08 2 117.2 148.6
32 2 2 1 15.347 30.694 0.172 25.75 2 12.3 1.6
33 -3 1 1 15.419 30.838 0.173 25.49 2 51.2 27.7
34 -2 -2 2 15.53 31.06 0.174 25.1 2 238.1 590.6
35 1 1 2 15.804 31.607 0.177 24.18 2 236.1 559.3
36 -1 3 1 15.957 31.914 0.178 23.68 2 38.6 14.6
37 1 3 1 16.216 32.432 0.181 22.87 2 84.8 68.3
38 0 2 2 16.689 33.378 0.186 21.49 2 122.5 133.7
39 -1 -3 2 16.845 33.69 0.188 21.06 2 64.9 36.8
40 -3 -1 2 16.994 33.988 0.19 20.66 2 25.8 5.7
41 3 1 1 17.269 34.539 0.193 19.95 2 1.6 0.0
42 3 -1 1 17.319 34.638 0.193 19.82 2 7.6 0.5
43 0 4 0 17.46 34.921 0.195 19.47 2 86.5 60.4
44 2 0 2 17.646 35.292 0.197 19.03 2 9.7 0.7
45 0 -4 1 17.802 35.605 0.198 18.66 2 36.2 10.2
46 -3 -3 1 18.073 36.147 0.201 18.06 2 78.2 45.8
47 -2 2 2 18.144 36.288 0.202 17.9 2 7.2 0.4
48 -3 1 2 18.413 36.825 0.205 17.33 2 153.3 169.0
49 3 3 0 18.603 37.206 0.207 16.95 2 122.3 105.2
50 -4 0 1 18.641 37.281 0.207 16.87 2 33.5 7.8
51 1 -3 2 18.825 37.649 0.209 16.51 2 14.9 1.5
52 4 0 0 18.862 37.724 0.21 16.44 2 17.7 2.1
53 -2 -4 1 18.933 37.865 0.211 16.3 2 31.9 6.9
54 -1 -1 3 19.116 38.232 0.213 15.96 2 32.3 6.9
55 2 -2 2 19.238 38.477 0.214 15.73 2 145.2 137.7
56 2 4 0 19.31 38.619 0.215 15.61 2 5.6 0.2
57 0 4 1 19.547 39.094 0.217 15.19 2 50.9 16.3
58 -4 -2 1 19.665 39.329 0.218 14.99 2 48.7 14.8
59 0 0 3 19.745 39.491 0.219 14.85 2 43.8 11.8
60 -3 -3 2 19.921 39.841 0.221 14.56 2 146.3 129.4
61 -1 3 2 19.983 39.967 0.222 14.46 2 70.6 29.9
62 -3 3 0 20.011 40.021 0.222 14.42 2 130.4 101.7
63 -2 0 3 20.066 40.131 0.223 14.33 2 41.8 10.4
64 4 2 0 20.286 40.573 0.225 13.99 2 10.2 0.6
65 2 2 2 20.288 40.576 0.225 13.98 2 94.3 51.6
66 0 -4 2 20.468 40.937 0.227 13.71 2 44.1 11.0
67 0 -2 3 20.513 41.025 0.227 13.64 2 98.3 54.7
68 -1 1 3 20.514 41.027 0.227 13.64 2 0.5 0.0
69 -2 -2 3 20.528 41.055 0.228 13.62 2 24.6 3.4
70 -2 4 0 20.528 41.057 0.228 13.62 2 147.3 122.6
71 -4 0 2 20.72 41.44 0.23 13.34 2 21.8 2.6
72 -3 3 1 20.742 41.484 0.23 13.31 2 62.9 21.9
73 -2 -4 2 20.84 41.68 0.231 13.17 2 34.0 6.3
74 1 3 2 20.853 41.706 0.231 13.15 2 37.4 7.7
75 1 -1 3 21.261 42.523 0.235 12.59 2 3.8 0.1
76 -4 -2 2 21.273 42.546 0.236 12.58 2 107.4 60.2
77 4 0 1 21.324 42.648 0.236 12.51 2 2.2 0.0
78 3 3 1 21.359 42.718 0.236 12.46 2 89.0 41.0
79 -4 2 0 21.459 42.918 0.237 12.33 2 10.9 0.6
80 2 -4 1 21.467 42.934 0.238 12.32 2 13.3 0.9
81 3 -3 1 21.483 42.967 0.238 12.3 2 3.4 0.1
82 -3 -1 3 21.578 43.155 0.239 12.18 2 62.2 19.6
83 3 -1 2 21.61 43.22 0.239 12.14 2 34.1 5.9
84 -4 2 1 21.649 43.298 0.239 12.09 2 11.8 0.7
85 -1 -3 3 21.699 43.398 0.24 12.03 2 12.1 0.7
86 -2 4 1 21.755 43.51 0.241 11.96 2 8.7 0.4
87 2 4 1 21.872 43.743 0.242 11.82 2 13.0 0.8
88 3 1 2 21.953 43.906 0.243 11.72 2 135.6 89.5
89 -1 -5 1 21.999 43.998 0.243 11.66 2 19.7 1.9
90 1 5 0 22.215 44.429 0.245 11.41 2 134.2 85.3
91 1 1 3 22.272 44.545 0.246 11.34 2 41.6 8.1
92 0 2 3 22.826 45.653 0.252 10.73 2 21.6 2.1
93 -1 5 0 22.903 45.807 0.253 10.65 2 82.3 29.9
94 4 2 1 22.99 45.98 0.254 10.56 2 11.6 0.6
95 -3 1 3 23.122 46.245 0.255 10.42 2 72.9 23.0
96 -5 -1 1 23.284 46.569 0.257 10.26 2 51.9 11.5
97 1 -5 1 23.292 46.584 0.257 10.25 2 4.2 0.1
98 4 -2 1 23.338 46.675 0.257 10.21 2 70.7 21.2
99 -2 2 3 23.381 46.762 0.258 10.16 2 14.2 0.9
100 -3 3 2 23.51 47.02 0.259 10.04 2 28.5 3.4
101 0 4 2 23.518 47.035 0.259 10.03 2 131.6 72.1
102 -3 -3 3 23.679 47.359 0.261 9.88 2 49.0 9.9
103 2 0 3 23.798 47.595 0.262 9.77 2 63.5 16.4
104 -1 -5 2 23.817 47.633 0.262 9.75 2 90.0 32.7
105 -4 2 2 23.869 47.737 0.263 9.7 2 30.7 3.8
106 1 -3 3 23.917 47.834 0.263 9.65 2 29.5 3.5
107 5 1 0 23.941 47.883 0.263 9.63 2 75.3 22.7
108 -4 -4 1 24.299 48.598 0.267 9.31 2 13.7 0.7
109 -5 1 1 24.304 48.607 0.267 9.31 2 31.3 3.8
110 2 -4 2 24.37 48.74 0.268 9.25 2 50.8 9.9
111 1 5 1 24.421 48.841 0.268 9.21 2 26.7 2.7
112 -1 5 1 24.497 48.993 0.269 9.14 2 72.3 19.8
113 -5 1 0 24.593 49.185 0.27 9.06 2 56.8 12.1
114 -5 -1 2 24.593 49.187 0.27 9.06 2 120.3 54.4
115 -2 -4 3 24.595 49.19 0.27 9.06 2 8.2 0.3
116 -4 0 3 24.62 49.24 0.27 9.04 2 56.8 12.1
117 2 -2 3 24.72 49.44 0.271 8.96 2 49.5 9.1
118 -4 -2 3 24.759 49.518 0.272 8.92 2 18.1 1.2
119 0 -4 3 24.839 49.678 0.273 8.86 2 84.2 26.1
120 3 -3 2 24.844 49.687 0.273 8.86 2 37.6 5.2
121 -3 -5 1 24.846 49.691 0.273 8.85 2 35.1 4.5
122 -2 4 2 24.89 49.78 0.273 8.82 2 69.7 17.8
123 4 4 0 25.172 50.345 0.276 8.59 2 22.0 1.7
124 -4 -4 2 25.335 50.67 0.278 8.47 2 60.2 12.7
125 -1 3 3 25.355 50.709 0.278 8.45 2 53.8 10.1
126 4 0 2 25.498 50.996 0.279 8.35 2 105.2 38.4
127 1 -5 2 25.594 51.188 0.28 8.28 2 138.1 65.5
128 3 5 0 25.599 51.198 0.28 8.27 2 67.4 15.6
129 -5 -3 1 25.706 51.411 0.282 8.19 2 23.5 1.9
130 3 3 2 25.761 51.523 0.282 8.15 2 33.7 3.8
131 -1 -1 4 25.838 51.676 0.283 8.1 2 236.2 187.5
132 -5 1 2 25.912 51.823 0.284 8.05 2 115.7 44.7
133 -3 -5 2 25.971 51.942 0.284 8.0 2 63.2 13.3
134 2 4 2 26.102 52.204 0.286 7.91 2 81.6 21.8
135 2 2 3 26.261 52.522 0.287 7.8 2 22.4 1.6
136 5 1 1 26.455 52.909 0.289 7.68 2 37.7 4.5
137 -2 0 4 26.491 52.983 0.29 7.65 2 123.7 48.6
138 -2 -2 4 26.536 53.073 0.29 7.62 2 61.3 11.9
139 -5 -3 2 26.598 53.196 0.291 7.58 2 140.8 62.4
140 1 3 3 26.623 53.246 0.291 7.56 2 70.7 15.7
141 5 3 0 26.649 53.298 0.291 7.55 2 84.5 22.4
142 0 -6 1 26.664 53.329 0.291 7.54 2 60.2 11.3
143 5 -1 1 26.734 53.467 0.292 7.49 2 19.4 1.2
144 0 6 0 26.748 53.496 0.292 7.48 2 74.2 17.1
145 0 0 4 26.773 53.546 0.292 7.47 2 35.0 3.8
146 4 -2 2 26.95 53.899 0.294 7.36 2 102.8 32.3
147 0 -2 4 27.059 54.119 0.295 7.29 2 41.5 5.2
148 3 -1 3 27.134 54.269 0.296 7.24 2 41.3 5.1
149 -4 4 0 27.146 54.292 0.296 7.24 2 159.2 76.1
150 -2 -6 1 27.259 54.519 0.297 7.17 2 45.7 6.2
151 -1 1 4 27.283 54.567 0.298 7.15 2 3.7 0.0
152 4 2 2 27.292 54.584 0.298 7.15 2 142.8 60.5
153 -3 -1 4 27.305 54.611 0.298 7.14 2 24.5 1.8
154 -1 -5 3 27.357 54.714 0.298 7.11 2 110.7 36.2
155 -3 5 0 27.432 54.863 0.299 7.07 2 50.3 7.4
156 -1 -3 4 27.61 55.22 0.301 6.96 2 7.6 0.2
157 -4 4 1 27.629 55.257 0.301 6.95 2 55.8 9.0
158 -5 -1 3 27.66 55.321 0.301 6.93 2 17.5 0.9
159 -4 2 3 27.745 55.49 0.302 6.89 2 37.1 3.9
160 3 1 3 27.747 55.494 0.302 6.89 2 18.9 1.0
161 -1 5 2 27.817 55.634 0.303 6.85 2 118.5 39.9
162 4 4 1 27.825 55.649 0.303 6.84 2 95.0 25.6
163 -3 3 3 27.847 55.693 0.303 6.83 2 87.6 21.7
164 2 6 0 27.866 55.732 0.303 6.82 2 37.4 4.0
165 1 -1 4 28.091 56.182 0.306 6.7 2 42.8 5.1
166 3 5 1 28.123 56.246 0.306 6.68 2 9.8 0.3
167 -4 -4 3 28.127 56.254 0.306 6.68 2 22.0 1.3
168 1 5 2 28.267 56.534 0.307 6.6 2 109.2 32.7
169 3 -5 1 28.292 56.584 0.308 6.59 2 34.6 3.3
170 -3 5 1 28.329 56.658 0.308 6.57 2 18.5 0.9
171 -6 0 1 28.337 56.673 0.308 6.57 2 27.8 2.1
172 0 -6 2 28.356 56.713 0.308 6.55 2 83.8 19.1
173 -2 -6 2 28.416 56.833 0.309 6.52 2 149.6 60.5
174 4 -4 1 28.43 56.859 0.309 6.52 2 63.7 11.0
175 -5 3 0 28.435 56.869 0.309 6.51 2 109.9 32.7
176 -5 3 1 28.49 56.981 0.31 6.49 2 15.2 0.6
177 0 6 1 28.597 57.193 0.311 6.43 2 49.6 6.6
178 -3 -3 4 28.785 57.57 0.313 6.34 2 64.0 10.8
179 0 4 3 28.786 57.571 0.313 6.34 2 109.0 31.2
180 2 -4 3 28.791 57.582 0.313 6.33 2 57.5 8.7
181 -3 -5 3 28.819 57.637 0.313 6.32 2 51.4 6.9
182 -6 -2 1 28.859 57.719 0.313 6.3 2 49.1 6.3
183 -3 1 4 28.931 57.862 0.314 6.26 2 37.9 3.7
184 6 0 0 29.008 58.017 0.315 6.23 2 128.1 42.4
185 -5 1 3 29.191 58.383 0.317 6.14 2 27.7 2.0
186 -5 -3 3 29.21 58.42 0.317 6.13 2 15.9 0.6
187 1 1 4 29.232 58.465 0.317 6.12 2 30.0 2.3
188 -2 6 0 29.261 58.522 0.317 6.11 2 120.5 36.8
189 5 3 1 29.305 58.611 0.318 6.09 2 32.4 2.7
190 -6 0 2 29.387 58.774 0.319 6.05 2 77.7 15.2
191 1 -5 3 29.484 58.967 0.319 6.0 2 56.6 8.0
192 -2 4 3 29.486 58.971 0.319 6.0 2 2.0 0.0
193 -2 2 4 29.559 59.117 0.32 5.97 2 193.2 92.4
194 -6 -2 2 29.591 59.182 0.321 5.95 2 118.9 35.0
195 0 2 4 29.594 59.188 0.321 5.95 2 21.4 1.1
196 3 -3 3 29.62 59.24 0.321 5.94 2 21.3 1.1
197 -4 -2 4 29.636 59.272 0.321 5.93 2 67.7 11.3
198 -2 -4 4 29.684 59.369 0.321 5.91 2 53.3 7.0
199 2 -6 1 29.685 59.37 0.321 5.91 2 28.1 1.9
200 -4 0 4 29.821 59.641 0.323 5.85 2 67.5 11.1
201 -4 4 2 29.821 59.642 0.323 5.85 2 90.6 19.9
202 6 2 0 29.831 59.662 0.323 5.85 2 17.9 0.8
203 1 -3 4 29.998 59.995 0.325 5.77 2 73.9 13.1
204 5 -3 1 30.084 60.168 0.325 5.74 2 40.4 3.9
205 2 6 1 30.167 60.333 0.326 5.7 2 44.2 4.6
206 -5 3 2 30.246 60.491 0.327 5.67 2 83.6 16.5
207 0 -4 4 30.395 60.79 0.328 5.61 2 108.8 27.6
208 5 -1 2 30.454 60.907 0.329 5.58 2 101.2 23.7
209 5 1 2 30.501 61.002 0.329 5.56 2 94.2 20.5
210 -2 6 1 30.522 61.044 0.33 5.56 2 16.8 0.6
211 2 0 4 30.599 61.198 0.33 5.52 2 84.5 16.4
212 3 -5 2 30.815 61.631 0.333 5.44 2 64.0 9.2
213 -6 2 1 30.829 61.659 0.333 5.43 2 39.7 3.6
214 -3 5 2 30.885 61.771 0.333 5.41 2 48.6 5.3
215 4 0 3 30.902 61.804 0.333 5.41 2 30.1 2.0
216 -5 -5 1 30.985 61.969 0.334 5.37 2 32.1 2.3
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219 -2 -6 3 31.209 62.419 0.336 5.29 2 80.7 14.3
220 -1 -7 1 31.244 62.489 0.337 5.28 2 3.5 0.0
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228 -1 3 4 31.648 63.296 0.341 5.13 2 1.2 0.0
229 1 7 0 31.71 63.42 0.341 5.11 2 105.0 23.4
230 2 -6 2 31.754 63.508 0.342 5.09 2 66.2 9.3
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232 -4 -6 2 31.922 63.844 0.343 5.03 2 45.1 4.3
233 -6 -2 3 31.953 63.907 0.344 5.02 2 70.7 10.4
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236 -6 0 3 32.053 64.106 0.344 4.99 2 104.8 22.7
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239 3 5 2 32.142 64.285 0.345 4.96 2 109.0 24.4
240 -5 -1 4 32.151 64.302 0.345 4.96 2 108.1 24.0
241 -1 -5 4 32.243 64.487 0.346 4.92 2 91.5 17.1
242 -6 -4 1 32.307 64.614 0.347 4.9 2 81.2 13.4
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244 -4 -4 4 32.377 64.754 0.348 4.88 2 89.5 16.2
245 -1 -7 2 32.403 64.807 0.348 4.87 2 123.0 30.6
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257 1 3 4 33.228 66.456 0.356 4.62 2 126.5 30.7
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261 -3 -7 1 33.327 66.654 0.357 4.59 2 2.5 0.0
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263 -3 3 4 33.374 66.748 0.357 4.57 2 68.7 8.9
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267 6 4 0 33.507 67.015 0.358 4.54 2 228.8 98.6
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270 -2 0 5 33.56 67.119 0.359 4.52 2 67.8 8.6
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272 -5 -5 3 33.573 67.146 0.359 4.52 2 58.3 6.4
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275 -3 -1 5 33.894 67.789 0.362 4.43 2 16.0 0.5
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277 -3 -7 2 33.986 67.972 0.363 4.4 2 60.6 6.7
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282 0 -2 5 34.233 68.465 0.365 4.34 2 2.8 0.0
283 3 7 0 34.242 68.483 0.365 4.33 2 59.1 6.3
284 0 0 5 34.268 68.537 0.365 4.33 2 39.0 2.7
285 -1 -3 5 34.342 68.683 0.366 4.31 2 110.2 21.7
286 2 -4 4 34.389 68.778 0.367 4.3 2 117.4 24.6
287 3 1 4 34.395 68.791 0.367 4.29 2 26.6 1.3
288 7 1 0 34.434 68.869 0.367 4.28 2 98.6 17.3
289 -7 1 1 34.472 68.943 0.367 4.28 2 5.9 0.1
290 -1 1 5 34.622 69.245 0.369 4.24 2 68.0 8.1
291 1 -5 4 34.648 69.295 0.369 4.23 2 52.4 4.8
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293 -5 5 0 34.773 69.545 0.37 4.2 2 29.1 1.5
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295 5 5 1 34.799 69.599 0.37 4.19 2 30.1 1.6
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297 -4 6 0 34.91 69.82 0.371 4.17 2 10.8 0.2
298 -3 -3 5 34.928 69.855 0.372 4.16 2 37.6 2.4
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301 0 4 4 35.054 70.109 0.373 4.13 2 120.4 24.8
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303 -5 5 1 35.104 70.209 0.373 4.12 2 25.7 1.1
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306 -7 -3 1 35.201 70.401 0.374 4.1 2 6.3 0.1
307 -2 4 4 35.229 70.459 0.374 4.09 2 121.9 25.2
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309 -7 1 2 35.329 70.658 0.375 4.07 2 138.9 32.6
310 -2 -6 4 35.42 70.84 0.376 4.05 2 82.0 11.3
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312 -7 -3 2 35.493 70.985 0.377 4.03 2 87.8 12.9
313 1 -1 5 35.506 71.011 0.377 4.03 2 38.3 2.5
314 3 -3 4 35.511 71.022 0.377 4.03 2 32.1 1.7
315 -4 -2 5 35.608 71.216 0.378 4.0 2 40.0 2.7
316 -4 6 1 35.609 71.219 0.378 4.0 2 35.9 2.1
317 -3 1 5 35.62 71.239 0.378 4.0 2 49.8 4.1
318 4 -4 3 35.651 71.301 0.378 4.0 2 31.3 1.6
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320 -6 -2 4 35.77 71.541 0.379 3.97 2 41.6 2.8
321 5 1 3 35.797 71.593 0.38 3.96 2 39.6 2.6
322 -2 -4 5 35.827 71.655 0.38 3.96 2 125.5 25.9
323 -6 4 1 35.97 71.94 0.381 3.93 2 13.7 0.3
324 5 -5 1 35.982 71.964 0.381 3.92 2 38.6 2.4
325 -6 4 0 36.008 72.017 0.382 3.92 2 61.6 6.2
326 -4 0 5 36.055 72.109 0.382 3.91 2 0.7 0.0
327 -6 0 4 36.143 72.287 0.383 3.89 2 7.1 0.1
328 -7 -1 3 36.153 72.306 0.383 3.89 2 49.7 4.0
329 -3 -7 3 36.177 72.355 0.383 3.88 2 0.4 0.0
330 6 4 1 36.224 72.449 0.384 3.87 2 35.5 2.0
331 0 -6 4 36.275 72.549 0.384 3.86 2 34.5 1.9
332 -3 7 0 36.414 72.829 0.385 3.83 2 62.2 6.2
333 6 2 2 36.422 72.844 0.385 3.83 2 52.3 4.4
334 7 3 0 36.442 72.883 0.386 3.83 2 113.2 20.3
335 0 -8 1 36.53 73.061 0.386 3.81 2 70.8 7.9
336 6 -2 2 36.54 73.08 0.386 3.81 2 101.1 16.2
337 -2 2 5 36.547 73.094 0.387 3.81 2 50.3 4.0
338 3 7 1 36.675 73.35 0.388 3.78 2 7.2 0.1
339 0 6 3 36.766 73.532 0.389 3.76 2 53.5 4.5
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341 -2 -8 1 36.828 73.657 0.389 3.75 2 149.7 34.9
342 0 8 0 36.876 73.753 0.39 3.74 2 104.8 17.1
343 3 -7 1 36.881 73.761 0.39 3.74 2 49.4 3.8
344 0 -4 5 36.923 73.847 0.39 3.73 2 86.1 11.5
345 1 -3 5 36.926 73.851 0.39 3.73 2 99.2 15.2
346 7 1 1 36.932 73.865 0.39 3.73 2 71.4 7.9
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356 7 -1 1 37.367 74.735 0.394 3.65 2 60.4 5.5
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360 -2 -8 2 37.546 75.092 0.396 3.62 2 100.4 15.1
361 6 -4 1 37.561 75.123 0.396 3.62 2 45.4 3.1
362 -2 6 3 37.587 75.174 0.396 3.61 2 68.3 7.0
363 2 8 0 37.62 75.24 0.396 3.61 2 85.8 11.0
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370 -4 -4 5 37.857 75.714 0.398 3.57 2 89.6 11.9
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379 -6 -6 1 38.254 76.508 0.402 3.5 2 49.2 3.5
380 -1 -5 5 38.262 76.523 0.402 3.5 2 117.6 20.1
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393 -1 3 5 38.799 77.598 0.407 3.42 2 55.9 4.4
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413 -7 -1 4 39.709 79.419 0.415 3.29 2 37.0 1.9
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429 8 0 0 40.284 80.569 0.42 3.22 2 95.5 12.2
430 -5 -7 3 40.308 80.617 0.42 3.22 2 40.2 2.2
431 0 -8 3 40.329 80.657 0.42 3.21 2 15.2 0.3
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440 -2 8 1 40.6 81.199 0.422 3.18 2 27.8 1.0
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448 -2 -2 6 40.917 81.833 0.425 3.15 2 14.4 0.3
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451 7 5 0 41.031 82.061 0.426 3.13 2 13.4 0.2
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463 -6 0 5 41.523 83.045 0.43 3.08 2 49.5 3.1
464 -1 7 3 41.528 83.056 0.43 3.08 2 9.9 0.1
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467 -8 0 3 41.67 83.339 0.432 3.07 2 64.4 5.3
468 5 -1 4 41.672 83.343 0.432 3.07 2 114.8 16.8
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474 -1 -3 6 41.961 83.922 0.434 3.04 2 61.4 4.8
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477 -2 4 5 42.051 84.101 0.435 3.03 2 53.4 3.6
478 -3 -3 6 42.079 84.158 0.435 3.03 2 94.3 11.2
479 1 7 3 42.141 84.282 0.436 3.03 2 67.3 5.7
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488 -8 2 0 42.372 84.745 0.437 3.01 2 41.1 2.1
489 -8 -4 1 42.373 84.747 0.437 3.01 2 7.2 0.1
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491 3 -3 5 42.469 84.938 0.438 3.0 2 41.8 2.2
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493 -1 -9 2 42.492 84.984 0.438 2.99 2 21.3 0.6
494 0 0 6 42.507 85.015 0.439 2.99 2 122.8 18.7
495 5 7 1 42.524 85.049 0.439 2.99 2 18.8 0.4
496 -4 -2 6 42.64 85.279 0.44 2.98 2 105.6 13.8
497 -4 -6 5 42.663 85.325 0.44 2.98 2 74.2 6.8
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500 0 6 4 42.757 85.514 0.441 2.97 2 68.6 5.8
501 5 -5 3 42.772 85.543 0.441 2.97 2 50.7 3.2
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503 -6 -6 4 42.956 85.912 0.442 2.96 2 19.9 0.5
504 -2 -4 6 43.015 86.029 0.443 2.95 2 26.4 0.9
505 1 -9 1 43.029 86.057 0.443 2.95 2 57.1 4.0
506 -2 6 4 43.118 86.235 0.444 2.95 2 31.6 1.2
507 -6 6 0 43.187 86.375 0.444 2.94 2 109.4 14.6
508 -5 7 0 43.213 86.425 0.444 2.94 2 121.9 18.1
509 -3 1 6 43.264 86.529 0.445 2.93 2 17.1 0.4
510 -1 9 0 43.278 86.556 0.445 2.93 2 37.6 1.7
511 7 3 2 43.282 86.565 0.445 2.93 2 27.5 0.9
512 -4 0 6 43.33 86.659 0.445 2.93 2 74.2 6.7
513 -2 -8 4 43.37 86.74 0.446 2.93 2 77.2 7.2
514 -3 -9 1 43.406 86.811 0.446 2.92 2 17.4 0.4
515 -5 -7 4 43.412 86.824 0.446 2.92 2 111.7 15.1
516 -6 6 1 43.416 86.832 0.446 2.92 2 0.3 0.0
517 -2 8 2 43.424 86.848 0.446 2.92 2 113.5 15.6
518 8 2 1 43.528 87.056 0.447 2.92 2 5.2 0.0
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520 -8 -4 3 43.686 87.371 0.448 2.9 2 7.4 0.1
521 5 -3 4 43.687 87.374 0.448 2.9 2 26.3 0.8
522 7 -3 2 43.745 87.49 0.449 2.9 2 46.7 2.6
523 -3 -9 2 43.749 87.498 0.449 2.9 2 59.8 4.3
524 1 -1 6 43.754 87.508 0.449 2.9 2 52.9 3.4
525 -5 7 1 43.789 87.579 0.449 2.9 2 32.5 1.3
526 8 4 0 43.902 87.804 0.45 2.89 2 36.9 1.6
527 3 5 4 43.904 87.808 0.45 2.89 2 120.7 17.5
528 4 4 4 43.906 87.812 0.45 2.89 2 65.9 5.2
529 2 -8 3 43.919 87.838 0.45 2.89 2 33.9 1.4
530 -3 7 3 43.922 87.843 0.45 2.89 2 57.9 4.0
531 7 5 1 43.939 87.877 0.45 2.89 2 77.5 7.2
532 -7 -5 4 43.994 87.987 0.451 2.88 2 126.6 19.2
533 4 8 1 44.058 88.116 0.451 2.88 2 7.2 0.1
534 5 -7 1 44.091 88.182 0.452 2.88 2 91.3 10.0
535 -5 3 5 44.109 88.217 0.452 2.88 2 17.7 0.4
536 1 -9 2 44.235 88.469 0.453 2.87 2 108.7 14.1
537 4 6 3 44.28 88.561 0.453 2.87 2 44.0 2.3
538 5 5 3 44.303 88.606 0.453 2.87 2 21.4 0.5
539 -7 5 1 44.34 88.679 0.454 2.86 2 75.0 6.7
540 0 -8 4 44.377 88.755 0.454 2.86 2 45.0 2.4
541 6 -6 1 44.413 88.827 0.454 2.86 2 41.6 2.1
542 -7 5 0 44.459 88.918 0.455 2.86 2 2.6 0.0
543 -8 -2 4 44.491 88.982 0.455 2.86 2 110.1 14.4
544 0 -4 6 44.494 88.987 0.455 2.86 2 63.8 4.8
545 -2 2 6 44.496 88.992 0.455 2.85 2 44.2 2.3
546 3 9 0 44.516 89.033 0.455 2.85 2 84.7 8.5
547 -4 -4 6 44.533 89.066 0.455 2.85 2 43.7 2.3
548 1 9 1 44.533 89.066 0.455 2.85 2 26.8 0.8
549 -4 8 0 44.535 89.069 0.455 2.85 2 35.4 1.5
550 -8 2 3 44.541 89.082 0.455 2.85 2 2.3 0.0
551 8 -2 1 44.561 89.121 0.455 2.85 2 9.0 0.1
552 -7 -1 5 44.639 89.279 0.456 2.85 2 44.0 2.3
553 -1 -7 5 44.64 89.281 0.456 2.85 2 36.3 1.6
554 -5 -1 6 44.692 89.383 0.457 2.84 2 45.6 2.5
555 -1 -9 3 44.722 89.444 0.457 2.84 2 84.1 8.3
556 -6 2 5 44.729 89.459 0.457 2.84 2 20.6 0.5
557 -6 4 4 44.73 89.459 0.457 2.84 2 39.9 1.9
558 -4 4 5 44.784 89.568 0.457 2.84 2 3.2 0.0
559 -3 -7 5 44.798 89.596 0.457 2.84 2 37.4 1.6
560 4 0 5 44.813 89.626 0.457 2.84 2 79.7 7.5
561 1 -3 6 44.843 89.687 0.458 2.84 2 61.8 4.5
562 -5 5 4 44.954 89.907 0.459 2.83 2 21.2 0.5
563 -1 9 1 44.981 89.962 0.459 2.83 2 101.5 12.1
564 6 -4 3 44.984 89.967 0.459 2.83 2 12.9 0.2
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 6.104 12.208 7.24382 140.6 23.8 24.1 5.6
2 0 0 1 6.466 12.932 6.83999 30.4 5.1 5.2 5.6
3 -1 1 0 6.55 13.099 6.75303 234.2 39.7 40.2 5.6
4 -1 -1 1 7.693 15.387 5.75383 11.4 1.9 2.0 5.6
5 0 2 0 8.628 17.257 5.13442 13.9 2.4 2.4 5.6
6 2 0 0 9.302 18.605 4.76524 18.6 3.1 3.2 5.6
7 1 1 1 9.984 19.968 4.44301 13.7 2.3 2.3 5.6
8 0 -2 1 10.07 20.139 4.4055 129.3 21.9 22.1 5.6
9 -2 0 1 10.189 20.379 4.35428 54.1 9.2 9.2 5.6
10 0 2 1 11.509 23.017 3.86073 175.3 29.7 29.9 5.6
11 2 2 0 12.279 24.558 3.62191 266.3 45.1 45.3 5.6
12 -2 -2 1 12.354 24.708 3.6002 11.4 1.9 1.9 5.6
13 2 0 1 12.43 24.859 3.57871 29.3 5.0 5.0 5.6
14 -1 -1 2 12.908 25.816 3.44824 59.4 10.1 10.1 5.6
15 0 0 2 13.016 26.033 3.41999 94.2 15.9 16.0 5.6
16 -2 2 0 13.187 26.374 3.37651 89.2 15.1 15.2 5.6
17 1 3 0 13.515 27.031 3.29596 6.9 1.2 1.2 5.6
18 -1 -3 1 13.765 27.53 3.23732 137.3 23.2 23.3 5.6
19 -1 3 0 14.146 28.292 3.15181 480.3 81.3 81.5 5.6
20 -1 1 2 14.28 28.56 3.12288 65.3 11.1 11.1 5.6
21 3 1 0 14.402 28.804 3.09695 535.2 90.6 90.8 5.6
22 0 -2 2 14.654 29.308 3.04483 6.1 1.0 1.0 5.6
23 1 -1 2 14.96 29.92 2.98394 37.4 6.3 6.3 5.6
24 -3 1 0 14.998 29.997 2.97646 371.0 62.8 62.9 5.6
25 2 -2 1 15.073 30.146 2.9621 96.6 16.4 16.4 5.6
26 1 -3 1 15.256 30.513 2.92729 148.6 25.2 25.2 5.6
27 -3 1 1 15.419 30.838 2.89718 27.7 4.7 4.7 5.6
28 -2 -2 2 15.53 31.06 2.87691 590.6 100.0 100.0 5.6
29 1 1 2 15.804 31.607 2.82836 559.3 94.7 94.7 5.6
30 -1 3 1 15.957 31.914 2.80189 14.6 2.5 2.5 5.6
31 1 3 1 16.216 32.432 2.75831 68.3 11.6 11.6 5.6
32 0 2 2 16.689 33.378 2.68225 133.7 22.6 22.6 5.7
33 -1 -3 2 16.845 33.69 2.65812 36.8 6.2 6.2 5.7
34 0 4 0 17.46 34.921 2.56721 60.4 10.2 10.2 5.7
35 0 -4 1 17.802 35.605 2.51944 10.2 1.7 1.7 5.7
36 -3 -3 1 18.073 36.147 2.48289 45.8 7.8 7.7 5.7
37 -3 1 2 18.413 36.825 2.43867 169.0 28.6 28.5 5.7
38 3 3 0 18.603 37.206 2.41461 105.2 17.8 17.7 5.7
39 -4 0 1 18.641 37.281 2.40989 7.8 1.3 1.3 5.7
40 -2 -4 1 18.933 37.865 2.37406 6.9 1.2 1.2 5.7
41 -1 -1 3 19.116 38.232 2.35215 6.9 1.2 1.2 5.7
42 2 -2 2 19.238 38.477 2.33774 137.7 23.3 23.2 5.7
43 0 4 1 19.547 39.094 2.30221 16.3 2.8 2.7 5.7
44 -4 -2 1 19.665 39.329 2.28901 14.8 2.5 2.5 5.7
45 0 0 3 19.745 39.491 2.28 11.8 2.0 2.0 5.7
46 -3 -3 2 19.921 39.841 2.26075 129.4 21.9 21.7 5.7
47 -3 3 0 20.011 40.021 2.25101 131.7 22.3 22.1 5.7
48 -2 0 3 20.066 40.131 2.24507 10.4 1.8 1.7 5.7
49 2 2 2 20.288 40.576 2.22151 51.6 8.7 8.7 5.7
50 0 -4 2 20.468 40.937 2.20275 11.0 1.9 1.9 5.7
51 -2 4 0 20.528 41.057 2.19659 180.7 30.6 30.3 5.7
52 -3 3 1 20.742 41.484 2.17495 24.5 4.1 4.1 5.7
53 1 3 2 20.853 41.706 2.16387 14.0 2.4 2.3 5.7
54 -4 -2 2 21.273 42.546 2.12306 60.2 10.2 10.1 5.7
55 3 3 1 21.359 42.718 2.11492 41.0 6.9 6.9 5.7
56 -3 -1 3 21.578 43.155 2.09452 19.6 3.3 3.3 5.7
57 3 1 2 21.953 43.906 2.06043 89.5 15.1 15.0 5.7
58 1 5 0 22.215 44.429 2.03737 85.3 14.4 14.3 5.7
59 1 1 3 22.272 44.545 2.03236 8.1 1.4 1.4 5.7
60 -1 5 0 22.903 45.807 1.97926 29.9 5.1 5.0 5.7
61 -3 1 3 23.122 46.245 1.96151 23.0 3.9 3.8 5.7
62 -5 -1 1 23.284 46.569 1.94863 11.6 2.0 1.9 5.7
63 4 -2 1 23.338 46.675 1.94441 21.2 3.6 3.5 5.7
64 0 4 2 23.518 47.035 1.93037 75.5 12.8 12.6 5.7
65 -3 -3 3 23.679 47.359 1.91794 9.9 1.7 1.6 5.7
66 -1 -5 2 23.817 47.633 1.90753 49.1 8.3 8.2 5.7
67 5 1 0 23.941 47.883 1.89816 26.2 4.4 4.4 5.7
68 2 -4 2 24.37 48.74 1.86678 9.9 1.7 1.6 5.7
69 -1 5 1 24.497 48.993 1.8577 19.8 3.4 3.3 5.7
70 -5 -1 2 24.593 49.187 1.85086 78.9 13.4 13.1 5.7
71 2 -2 3 24.72 49.44 1.84197 9.1 1.5 1.5 5.7
72 0 -4 3 24.839 49.678 1.8337 35.8 6.1 6.0 5.7
73 -2 4 2 24.89 49.78 1.83019 17.8 3.0 2.9 5.7
74 -4 -4 2 25.335 50.67 1.8001 22.9 3.9 3.8 5.8
75 4 0 2 25.498 50.996 1.78935 38.4 6.5 6.4 5.8
76 1 -5 2 25.594 51.188 1.78311 81.1 13.7 13.5 5.8
77 -1 -1 4 25.838 51.676 1.76738 187.5 31.7 31.1 5.8
78 -5 1 2 25.912 51.823 1.76272 44.7 7.6 7.4 5.8
79 -3 -5 2 25.971 51.942 1.75896 13.3 2.2 2.2 5.8
80 2 4 2 26.102 52.204 1.75074 21.8 3.7 3.6 5.8
81 -2 0 4 26.491 52.983 1.72684 48.6 8.2 8.0 5.8
82 -2 -2 4 26.536 53.073 1.72412 11.9 2.0 2.0 5.8
83 -5 -3 2 26.598 53.196 1.72041 78.1 13.2 12.9 5.8
84 5 3 0 26.649 53.298 1.71737 33.7 5.7 5.6 5.8
85 0 6 0 26.748 53.496 1.71147 22.1 3.7 3.6 5.8
86 4 -2 2 26.95 53.899 1.69962 32.3 5.5 5.3 5.8
87 -4 4 0 27.146 54.292 1.68826 81.2 13.8 13.4 5.8
88 -2 -6 1 27.259 54.519 1.68176 6.2 1.1 1.0 5.8
89 4 2 2 27.292 54.584 1.67992 62.3 10.5 10.3 5.8
90 -1 -5 3 27.357 54.714 1.67623 36.2 6.1 6.0 5.8
91 -3 5 0 27.432 54.863 1.67202 7.4 1.3 1.2 5.8
92 -4 4 1 27.629 55.257 1.66102 9.0 1.5 1.5 5.8
93 -1 5 2 27.817 55.634 1.65067 65.5 11.1 10.8 5.8
94 -3 3 3 27.847 55.693 1.64905 25.7 4.3 4.2 5.8
95 1 5 2 28.267 56.534 1.62651 35.9 6.1 5.9 5.8
96 0 -6 2 28.356 56.713 1.6218 21.2 3.6 3.5 5.8
97 -2 -6 2 28.416 56.833 1.61866 104.2 17.6 17.2 5.8
98 0 6 1 28.597 57.193 1.60931 6.6 1.1 1.1 5.8
99 0 4 3 28.786 57.571 1.59964 50.7 8.6 8.3 5.8
100 -3 -5 3 28.819 57.637 1.59797 6.9 1.2 1.1 5.8
101 -6 -2 1 28.859 57.719 1.5959 6.3 1.1 1.0 5.8
102 6 0 0 29.008 58.017 1.58841 42.4 7.2 7.0 5.8
103 -2 6 0 29.261 58.522 1.57591 39.1 6.6 6.4 5.8
104 -6 0 2 29.387 58.774 1.56975 15.2 2.6 2.5 5.8
105 1 -5 3 29.484 58.967 1.56505 8.0 1.4 1.3 5.8
106 -2 2 4 29.559 59.117 1.56144 92.4 15.6 15.2 5.8
107 -6 -2 2 29.591 59.182 1.5599 36.1 6.1 5.9 5.8
108 -4 -2 4 29.636 59.272 1.55774 12.4 2.1 2.0 5.8
109 -2 -4 4 29.684 59.369 1.55543 8.9 1.5 1.5 5.8
110 -4 4 2 29.821 59.642 1.54894 31.8 5.4 5.2 5.8
111 1 -3 4 29.998 59.995 1.54067 13.1 2.2 2.1 5.8
112 -5 3 2 30.246 60.491 1.52922 16.5 2.8 2.7 5.8
113 0 -4 4 30.395 60.79 1.52241 27.6 4.7 4.5 5.8
114 5 -1 2 30.454 60.907 1.51977 23.7 4.0 3.9 5.8
115 5 1 2 30.501 61.002 1.51764 21.1 3.6 3.5 5.8
116 2 0 4 30.599 61.198 1.51324 16.4 2.8 2.7 5.8
117 3 -5 2 30.815 61.631 1.50366 12.8 2.2 2.1 5.8
118 -3 5 2 30.885 61.771 1.50058 7.3 1.2 1.2 5.8
119 2 -2 4 31.083 62.167 1.49197 21.5 3.6 3.5 5.8
120 -2 -6 3 31.209 62.419 1.48655 14.3 2.4 2.3 5.8
121 3 3 3 31.339 62.679 1.481 29.6 5.0 4.8 5.8
122 -5 -5 2 31.483 62.966 1.47495 30.4 5.1 5.0 5.9
123 1 7 0 31.71 63.42 1.46546 23.4 4.0 3.8 5.9
124 2 -6 2 31.754 63.508 1.46365 9.3 1.6 1.5 5.9
125 4 -2 3 31.898 63.797 1.45772 8.5 1.4 1.4 5.9
126 -6 -2 3 31.953 63.907 1.45548 20.4 3.5 3.3 5.9
127 0 6 2 32.012 64.023 1.45311 36.9 6.2 6.0 5.9
128 -6 0 3 32.053 64.106 1.45143 22.7 3.9 3.7 5.9
129 3 5 2 32.142 64.285 1.44782 120.8 20.5 19.7 5.9
130 -1 -5 4 32.243 64.487 1.44378 17.1 2.9 2.8 5.9
131 -6 -4 1 32.307 64.614 1.44123 13.4 2.3 2.2 5.9
132 4 6 0 32.37 64.74 1.43874 52.3 8.9 8.5 5.9
133 -1 -7 2 32.403 64.807 1.43742 33.4 5.7 5.4 5.9
134 1 -7 1 32.487 64.973 1.43414 23.6 4.0 3.8 5.9
135 2 2 4 33.003 66.006 1.41418 9.3 1.6 1.5 5.9
136 1 3 4 33.228 66.456 1.4057 30.7 5.2 5.0 5.9
137 5 -3 2 33.285 66.569 1.40357 77.8 13.2 12.6 5.9
138 -3 3 4 33.374 66.748 1.40025 13.7 2.3 2.2 5.9
139 6 4 0 33.507 67.015 1.39533 98.7 16.7 16.0 5.9
140 -2 0 5 33.56 67.119 1.3934 21.2 3.6 3.4 5.9
141 2 6 2 33.953 67.907 1.37915 12.9 2.2 2.1 5.9
142 -3 -7 2 33.986 67.972 1.37799 6.7 1.1 1.1 5.9
143 1 -7 2 34.088 68.176 1.37436 10.0 1.7 1.6 5.9
144 3 7 0 34.242 68.483 1.36894 9.0 1.5 1.5 5.9
145 -1 -3 5 34.342 68.683 1.36544 21.7 3.7 3.5 5.9
146 2 -4 4 34.389 68.778 1.3638 25.8 4.4 4.2 5.9
147 7 1 0 34.434 68.869 1.36221 17.3 2.9 2.8 5.9
148 -1 1 5 34.622 69.245 1.35573 13.0 2.2 2.1 5.9
149 -6 2 3 34.954 69.907 1.3445 7.6 1.3 1.2 5.9
150 0 4 4 35.054 70.109 1.34112 24.8 4.2 4.0 5.9
151 -1 -7 3 35.101 70.203 1.33956 10.3 1.7 1.7 5.9
152 -7 1 0 35.163 70.327 1.3375 21.9 3.7 3.5 5.9
153 -2 4 4 35.229 70.459 1.33532 25.2 4.3 4.1 5.9
154 -7 1 2 35.329 70.658 1.33204 37.4 6.3 6.0 5.9
155 -2 -6 4 35.42 70.84 1.32906 11.3 1.9 1.8 5.9
156 5 -1 3 35.474 70.947 1.32732 34.3 5.8 5.5 5.9
157 -3 1 5 35.62 71.239 1.3226 8.9 1.5 1.4 5.9
158 4 -6 1 35.752 71.504 1.31835 6.3 1.1 1.0 5.9
159 -2 -4 5 35.827 71.655 1.31594 25.9 4.4 4.2 5.9
160 -6 4 0 36.008 72.017 1.31021 8.6 1.5 1.4 5.9
161 7 3 0 36.442 72.883 1.29676 30.9 5.2 4.9 6.0
162 6 -2 2 36.54 73.08 1.29375 28.1 4.8 4.5 6.0
163 -2 -8 1 36.828 73.657 1.28504 34.9 5.9 5.6 6.0
164 0 8 0 36.876 73.753 1.2836 20.9 3.5 3.3 6.0
165 1 -3 5 36.926 73.851 1.28214 34.6 5.9 5.5 6.0
166 1 7 2 37.278 74.556 1.27176 10.0 1.7 1.6 6.0
167 7 -1 1 37.367 74.735 1.26916 9.3 1.6 1.5 6.0
168 -2 -8 2 37.546 75.092 1.26401 18.2 3.1 2.9 6.0
169 -2 6 3 37.587 75.174 1.26282 7.0 1.2 1.1 6.0
170 2 8 0 37.62 75.24 1.26189 11.0 1.9 1.8 6.0
171 0 -8 2 37.696 75.392 1.25972 7.5 1.3 1.2 6.0
172 -4 -4 5 37.857 75.714 1.25516 13.4 2.3 2.1 6.0
173 -6 -4 4 38.087 76.174 1.24871 10.4 1.8 1.7 6.0
174 -5 3 4 38.185 76.37 1.246 49.8 8.4 7.9 6.0
175 -1 -5 5 38.262 76.523 1.24389 23.6 4.0 3.8 6.0
176 -1 5 4 38.382 76.764 1.24059 8.1 1.4 1.3 6.0
177 -5 -7 1 38.465 76.931 1.23831 12.6 2.1 2.0 6.0
178 -6 2 4 39.177 78.354 1.21934 9.2 1.6 1.5 6.0
179 4 2 4 39.333 78.665 1.2153 10.9 1.8 1.7 6.0
180 -5 1 5 39.688 79.377 1.20618 16.2 2.7 2.6 6.0
181 5 7 0 39.769 79.538 1.20414 15.9 2.7 2.5 6.0
182 -3 3 5 39.955 79.91 1.19947 8.9 1.5 1.4 6.0
183 3 -5 4 40.052 80.104 1.19705 10.6 1.8 1.7 6.0
184 -3 5 4 40.177 80.354 1.19395 8.7 1.5 1.4 6.0
185 8 0 0 40.284 80.569 1.19131 14.4 2.4 2.3 6.1
186 6 4 2 40.342 80.683 1.18991 6.2 1.1 1.0 6.1
187 2 2 5 40.568 81.136 1.18441 13.2 2.2 2.1 6.1
188 -6 -2 5 40.898 81.797 1.17651 6.9 1.2 1.1 6.1
189 2 -4 5 41.058 82.117 1.17273 10.0 1.7 1.6 6.1
190 4 8 0 41.402 82.805 1.16472 11.3 1.9 1.8 6.1
191 1 -7 4 41.64 83.281 1.15927 13.3 2.3 2.1 6.1
192 5 -1 4 41.672 83.343 1.15856 16.8 2.8 2.6 6.1
193 0 8 2 42.003 84.005 1.15111 6.6 1.1 1.0 6.1
194 -3 -3 6 42.079 84.158 1.14941 14.8 2.5 2.3 6.1
195 0 0 6 42.507 85.015 1.14 19.2 3.2 3.0 6.1
196 -4 -2 6 42.64 85.279 1.13714 20.6 3.5 3.2 6.1
197 -1 1 6 42.755 85.511 1.13465 17.5 3.0 2.7 6.1
198 -5 7 0 43.213 86.425 1.12498 32.7 5.5 5.1 6.1
199 -4 0 6 43.33 86.659 1.12254 6.7 1.1 1.0 6.1
200 -2 -8 4 43.37 86.74 1.1217 7.2 1.2 1.1 6.1
201 -2 8 2 43.424 86.848 1.12059 30.8 5.2 4.8 6.1
202 1 -1 6 43.754 87.508 1.11383 10.3 1.7 1.6 6.2
203 -3 7 3 43.922 87.843 1.11043 36.9 6.3 5.7 6.2
204 -7 -5 4 43.994 87.987 1.10899 19.2 3.2 3.0 6.2
205 5 -7 1 44.091 88.182 1.10704 10.3 1.7 1.6 6.2
206 1 -9 2 44.235 88.469 1.10419 14.1 2.4 2.2 6.2
207 -7 5 1 44.34 88.679 1.10211 6.7 1.1 1.0 6.2
208 -8 -2 4 44.491 88.982 1.09915 30.0 5.1 4.6 6.2
209 -1 -9 3 44.722 89.444 1.09466 12.7 2.1 2.0 6.2
210 4 0 5 44.813 89.626 1.09291 13.6 2.3 2.1 6.2
211 -1 9 1 44.981 89.962 1.08971 12.3 2.1 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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