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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REEDMERGNERITE
3, at 1.89 GPa
NaBSi(3)O(8)
Triclinic C 1(-) Z = 4
C1(-)
6 .12 .1901
Ref.Str.:
Downs R.T., Yang H., Hazen R.M., Finger L.W., Prewitt C.T. (1999)
* Amer. Mineral., 84, 333-340
Reserv:
All structure data from 0.00 GPa up to 4.68 GPa
see in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.7231 alpha = 93.36
b = 12.3038 beta = 116.32
c = 6.7719 gamma = 92.14
Unit cell volume (cub. angs.) = 574.36
Molar volume ( cub.cm/mol.) = 86.49
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.256 0.0082 0.1309 0.0 Na = 1.00
2 0.0118 0.1596 0.2186 0.0 B = 1.00
3 0.0052 0.81 0.2089 0.0 Si = 1.00
4 0.701 0.1016 0.3211 0.0 Si = 1.00
5 0.6798 0.8633 0.3548 0.0 Si = 1.00
6 0.0075 0.135 0.0028 0.0 O = 1.00
7 0.5833 0.9794 0.2698 0.0 O = 1.00
8 0.8458 0.0926 0.2117 0.0 O = 1.00
9 0.8117 0.8345 0.2307 0.0 O = 1.00
10 0.9904 0.2741 0.2715 0.0 O = 1.00
11 0.0275 0.6793 0.2006 0.0 O = 1.00
12 0.1953 0.1202 0.3832 0.0 O = 1.00
13 0.1927 0.8686 0.4147 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.256 0.0082 0.1309
2 2 0.0118 0.1596 0.2186
3 3 0.0052 0.81 0.2089
4 4 0.701 0.1016 0.3211
5 5 0.6798 0.8633 0.3548
6 6 0.0075 0.135 0.0028
7 7 0.5833 0.9794 0.2698
8 8 0.8458 0.0926 0.2117
9 9 0.8117 0.8345 0.2307
10 10 0.9904 0.2741 0.2715
11 11 0.0275 0.6793 0.2006
12 12 0.1953 0.1202 0.3832
13 13 0.1927 0.8686 0.4147
14 1 0.744 0.9918 0.8691
15 2 0.9882 0.8404 0.7814
16 3 0.9948 0.19 0.7911
17 4 0.299 0.8984 0.6789
18 5 0.3202 0.1367 0.6452
19 6 0.9925 0.865 0.9972
20 7 0.4167 0.0206 0.7302
21 8 0.1542 0.9074 0.7883
22 9 0.1883 0.1655 0.7693
23 10 0.0096 0.7259 0.7285
24 11 0.9725 0.3207 0.7994
25 12 0.8047 0.8798 0.6168
26 13 0.8073 0.1314 0.5853
27 1 0.244 0.4918 0.8691
28 2 0.4882 0.3404 0.7814
29 3 0.4948 0.69 0.7911
30 4 0.799 0.3984 0.6789
31 5 0.8202 0.6367 0.6452
32 6 0.4925 0.365 0.9972
33 7 0.9167 0.5206 0.7302
34 8 0.6542 0.4074 0.7883
35 9 0.6883 0.6655 0.7693
36 10 0.5096 0.2259 0.7285
37 11 0.4725 0.8207 0.7994
38 12 0.3047 0.3798 0.6168
39 13 0.3073 0.6314 0.5853
40 1 0.756 0.5082 0.1309
41 2 0.5118 0.6596 0.2186
42 3 0.5052 0.31 0.2089
43 4 0.201 0.6016 0.3211
44 5 0.1798 0.3633 0.3548
45 6 0.5075 0.635 0.0028
46 7 0.0833 0.4794 0.2698
47 8 0.3458 0.5926 0.2117
48 9 0.3117 0.3345 0.2307
49 10 0.4904 0.7741 0.2715
50 11 0.5275 0.1793 0.2006
51 12 0.6953 0.6202 0.3832
52 13 0.6927 0.3686 0.4147
X-ray density (g/cm cub.) = 2.84
MU (1/cm) = 84.345 Mass attenuation coefficient (cm**2/g) = 29.652
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 2.808 6
2.4034 6
2.3236 7
2.3496 12
2.4454 6
2.348 8
2.779 11
2 B 1.872 4
1.4603 6
1.4797 8
1.4661 10
1.4831 12
3 Si 2.1 4
1.6033 9
1.6242 11
1.6043 13
1.5862 6
4 Si 2.1 4
1.6625 7
1.5955 8
1.6145 13
1.6101 11
5 Si 2.1 4
1.6501 7
1.6191 9
1.5952 12
1.6548 10
6 O 3.264 7
2.3321 8
2.4739 10
2.3527 12
2.5645 9
2.6973 11
2.5475 13
3.1354 9
7 O 3.264 6
2.6009 8
2.6374 9
2.6228 12
2.658 13
2.6021 10
2.547 11
8 O 3.264 7
2.3321 6
2.6009 7
3.1921 9
2.3882 10
2.4193 12
2.6927 13
2.6881 11
9 O 3.264 10
2.6374 7
3.1921 8
2.6383 11
2.6422 13
2.5645 6
2.6659 12
2.9233 11
3.1354 6
2.6978 10
3.1292 12
10 O 3.264 8
2.4739 6
2.3882 8
2.4477 12
3.2242 11
2.7251 12
2.6021 7
2.6978 9
3.1029 13
11 O 3.264 8
2.6383 9
2.6266 13
2.6973 6
3.2242 10
2.9233 9
2.6623 13
2.547 7
2.6881 8
12 O 3.264 8
2.3527 6
2.4193 8
2.4477 10
3.1153 13
2.6228 7
2.6659 9
2.7251 10
3.1292 9
13 O 3.264 9
2.6422 9
2.6266 11
3.1153 12
2.5475 6
2.658 7
2.6927 8
2.6623 11
3.2124 13
3.1029 10
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 7.129 14.258 0.081 126.9 2 24.5 46.3
2 0 2 0 7.224 14.447 0.082 123.54 2 22.8 38.8
3 0 0 1 7.316 14.633 0.083 120.37 2 15.5 17.4
4 1 1 0 7.578 15.156 0.086 112.05 2 2.2 0.3
5 -1 -1 1 8.042 16.085 0.091 99.23 2 37.7 85.6
6 -1 1 1 8.186 16.373 0.092 95.69 2 8.8 4.5
7 0 -2 1 9.862 19.725 0.111 65.25 2 7.1 2.0
8 0 2 1 10.739 21.478 0.121 54.7 2 7.4 1.8
9 -2 0 1 11.626 23.253 0.131 46.36 2 142.8 573.0
10 1 -1 1 11.963 23.925 0.135 43.67 2 54.7 79.2
11 -1 3 0 12.252 24.504 0.138 41.54 2 88.8 198.6
12 1 1 1 12.608 25.215 0.142 39.11 2 98.2 228.9
13 2 0 0 12.891 25.782 0.145 37.32 2 21.7 10.6
14 -1 -3 1 12.986 25.972 0.146 36.75 2 54.2 65.5
15 1 3 0 13.052 26.104 0.147 36.36 2 45.2 45.1
16 -1 3 1 13.259 26.518 0.149 35.17 2 11.8 3.0
17 -1 -1 2 13.462 26.923 0.151 34.06 2 37.4 28.9
18 -2 2 1 13.581 27.162 0.152 33.43 2 9.4 1.8
19 -1 1 2 13.885 27.77 0.156 31.89 2 112.7 245.7
20 -2 -2 1 13.9 27.801 0.156 31.82 2 52.8 53.7
21 -2 2 0 14.371 28.743 0.161 29.64 2 115.0 237.6
22 0 4 0 14.565 29.131 0.163 28.8 2 114.2 227.9
23 -2 0 2 14.641 29.282 0.164 28.48 2 130.1 292.3
24 0 0 2 14.756 29.511 0.165 28.01 2 164.3 458.6
25 2 2 0 15.292 30.585 0.171 25.95 2 88.8 124.0
26 1 -3 1 15.331 30.662 0.172 25.81 2 63.9 63.8
27 0 -4 1 15.794 31.588 0.177 24.21 2 152.1 339.7
28 0 -2 2 15.927 31.853 0.178 23.77 2 53.5 41.3
29 -2 -2 2 16.249 32.498 0.182 22.77 2 47.1 30.7
30 -2 2 2 16.546 33.093 0.185 21.89 2 28.0 10.4
31 -1 -3 2 16.684 33.368 0.186 21.5 2 45.8 27.4
32 1 3 1 16.842 33.684 0.188 21.06 2 108.7 151.0
33 0 4 1 16.935 33.869 0.189 20.81 2 22.3 6.2
34 0 2 2 17.06 34.119 0.19 20.48 2 13.1 2.1
35 2 0 1 17.594 35.188 0.196 19.15 2 15.2 2.7
36 -3 1 1 17.702 35.404 0.197 18.9 2 8.3 0.8
37 -1 3 2 17.716 35.433 0.198 18.86 2 48.9 27.3
38 -3 -1 1 18.023 36.047 0.201 18.17 2 41.2 18.7
39 2 -2 1 18.484 36.967 0.206 17.19 2 53.6 29.9
40 -2 4 1 18.557 37.115 0.207 17.04 2 113.9 134.0
41 1 -1 2 18.716 37.431 0.208 16.72 2 59.9 36.4
42 -3 1 2 18.85 37.7 0.21 16.46 2 1.8 0.0
43 -3 -1 2 18.905 37.81 0.21 16.35 2 69.5 47.9
44 -2 4 0 18.913 37.826 0.21 16.34 2 41.7 17.2
45 -1 5 0 19.028 38.055 0.212 16.12 2 50.6 25.0
46 -2 -4 1 19.041 38.081 0.212 16.1 2 133.5 173.8
47 1 1 2 19.4 38.8 0.216 15.45 2 19.8 3.7
48 -3 1 0 19.639 39.278 0.218 15.03 2 6.0 0.3
49 -1 -5 1 19.646 39.292 0.218 15.02 2 68.1 42.2
50 2 2 1 19.719 39.439 0.219 14.9 2 42.0 15.9
51 1 5 0 19.934 39.868 0.221 14.54 2 14.5 1.9
52 -1 5 1 19.962 39.923 0.222 14.5 2 19.8 3.5
53 0 -4 2 20.033 40.066 0.222 14.38 2 21.1 3.9
54 3 1 0 20.173 40.346 0.224 14.16 2 36.3 11.3
55 -2 0 3 20.233 40.465 0.224 14.07 2 5.4 0.3
56 -3 3 1 20.339 40.677 0.226 13.91 2 66.9 37.7
57 2 4 0 20.354 40.707 0.226 13.88 2 79.3 52.9
58 -1 -1 3 20.378 40.755 0.226 13.85 2 52.9 23.5
59 -2 -4 2 20.646 41.293 0.229 13.45 2 9.1 0.7
60 1 -3 2 20.895 41.791 0.232 13.09 2 22.9 4.2
61 -1 1 3 20.906 41.812 0.232 13.08 2 47.2 17.7
62 1 -5 1 21.004 42.007 0.233 12.94 2 1.7 0.0
63 -2 4 2 21.13 42.259 0.234 12.77 2 21.3 3.5
64 -3 -3 1 21.188 42.376 0.235 12.69 2 66.4 33.9
65 -2 -2 3 21.246 42.492 0.235 12.61 2 38.9 11.6
66 -3 3 2 21.593 43.185 0.239 12.16 2 50.7 19.0
67 -3 -3 2 21.739 43.478 0.24 11.98 2 1.1 0.0
68 -3 3 0 21.858 43.716 0.242 11.83 2 2.4 0.0
69 0 4 2 21.88 43.76 0.242 11.81 2 2.6 0.0
70 -2 2 3 21.932 43.864 0.242 11.74 2 6.9 0.3
71 2 -4 1 22.078 44.156 0.244 11.57 2 113.5 90.4
72 -1 -5 2 22.16 44.32 0.245 11.47 2 4.9 0.2
73 0 6 0 22.162 44.324 0.245 11.47 2 78.6 43.0
74 0 0 3 22.46 44.921 0.248 11.13 2 25.3 4.3
75 -3 -1 3 22.517 45.033 0.249 11.07 2 11.8 0.9
76 -1 -3 3 22.527 45.055 0.249 11.06 2 1.3 0.0
77 -3 1 3 22.687 45.373 0.25 10.88 2 62.2 25.5
78 1 3 2 22.732 45.464 0.251 10.83 2 52.5 18.1
79 0 -6 1 22.822 45.644 0.252 10.74 2 7.3 0.4
80 1 5 1 22.936 45.872 0.253 10.62 2 101.8 66.7
81 0 -2 3 23.082 46.163 0.254 10.47 2 0.5 0.0
82 3 3 0 23.305 46.609 0.257 10.24 2 44.3 12.2
83 -1 5 2 23.519 47.038 0.259 10.03 2 16.8 1.7
84 -4 0 2 23.769 47.539 0.262 9.79 2 82.5 40.4
85 -4 0 1 23.932 47.864 0.263 9.64 2 27.6 4.5
86 -1 3 3 23.969 47.939 0.264 9.61 2 12.9 1.0
87 2 0 2 23.997 47.994 0.264 9.58 2 52.0 15.7
88 3 -1 1 24.036 48.071 0.264 9.55 2 7.6 0.3
89 0 6 1 24.089 48.178 0.265 9.5 2 83.2 39.8
90 2 4 1 24.193 48.387 0.266 9.41 2 20.2 2.3
91 0 2 3 24.338 48.676 0.268 9.28 2 15.8 1.4
92 2 -2 2 24.491 48.981 0.269 9.15 2 50.5 14.1
93 3 1 1 24.696 49.391 0.271 8.98 2 61.8 20.8
94 -2 -4 3 24.703 49.406 0.271 8.97 2 28.2 4.3
95 -4 2 1 24.737 49.474 0.272 8.94 2 9.5 0.5
96 -4 2 2 24.781 49.563 0.272 8.91 2 94.6 48.4
97 -3 -3 3 24.817 49.634 0.272 8.88 2 42.1 9.5
98 -2 6 1 25.034 50.067 0.275 8.7 2 46.8 11.6
99 -2 6 0 25.115 50.229 0.276 8.64 2 30.9 5.0
100 -3 5 1 25.162 50.323 0.276 8.6 2 72.8 27.7
101 -4 -2 2 25.167 50.333 0.276 8.6 2 7.2 0.3
102 -3 3 3 25.289 50.578 0.277 8.5 2 4.9 0.1
103 1 -5 2 25.333 50.666 0.278 8.47 2 12.3 0.8
104 -4 -2 1 25.522 51.043 0.28 8.33 2 10.5 0.6
105 -2 -6 1 25.606 51.211 0.281 8.27 2 19.7 1.9
106 3 -3 1 25.759 51.517 0.282 8.16 2 21.2 2.2
107 2 2 2 25.883 51.767 0.283 8.07 2 59.5 17.3
108 0 -6 2 25.917 51.833 0.284 8.04 2 32.2 5.1
109 -2 4 3 25.918 51.835 0.284 8.04 2 50.3 12.3
110 -4 0 3 26.045 52.09 0.285 7.95 2 106.5 54.7
111 0 -4 3 26.064 52.129 0.285 7.94 2 108.0 56.1
112 1 -1 3 26.233 52.467 0.287 7.82 2 55.2 14.5
113 -3 5 0 26.27 52.539 0.287 7.8 2 8.5 0.3
114 -3 -5 1 26.36 52.721 0.288 7.74 2 3.4 0.1
115 -3 5 2 26.428 52.856 0.289 7.69 2 10.2 0.5
116 4 0 0 26.5 53.0 0.29 7.65 2 106.4 52.5
117 -1 7 0 26.506 53.011 0.29 7.64 2 61.2 17.3
118 -3 -5 2 26.637 53.275 0.291 7.56 2 19.5 1.7
119 -2 -6 2 26.706 53.413 0.292 7.51 2 45.3 9.4
120 -1 -5 3 26.846 53.693 0.293 7.42 2 22.1 2.2
121 2 6 0 26.851 53.702 0.293 7.42 2 17.5 1.4
122 1 1 3 26.954 53.907 0.294 7.36 2 106.5 50.6
123 -4 2 0 27.059 54.119 0.295 7.29 2 28.2 3.5
124 -1 -7 1 27.077 54.155 0.295 7.28 2 28.0 3.5
125 -2 0 4 27.116 54.232 0.296 7.26 2 162.0 115.4
126 -4 -2 3 27.168 54.336 0.296 7.22 2 35.7 5.6
127 -4 2 3 27.184 54.369 0.297 7.21 2 30.9 4.2
128 2 -4 2 27.269 54.538 0.297 7.16 2 70.8 21.8
129 -2 6 2 27.303 54.606 0.298 7.14 2 9.2 0.4
130 -1 7 1 27.423 54.847 0.299 7.07 2 68.5 20.1
131 1 7 0 27.492 54.983 0.3 7.03 2 50.1 10.7
132 2 -6 1 27.531 55.063 0.3 7.01 2 69.5 20.5
133 3 3 1 27.613 55.227 0.301 6.96 2 46.1 9.0
134 -2 -2 4 27.748 55.496 0.302 6.89 2 14.2 0.8
135 1 -3 3 27.761 55.521 0.302 6.88 2 10.5 0.5
136 -4 4 1 27.783 55.566 0.303 6.87 2 59.2 14.6
137 1 -7 1 27.879 55.758 0.304 6.81 2 38.8 6.2
138 1 5 2 27.968 55.936 0.304 6.76 2 60.4 15.0
139 -4 4 2 28.01 56.021 0.305 6.74 2 105.0 45.1
140 -1 -1 4 28.023 56.046 0.305 6.73 2 36.4 5.4
141 -3 -1 4 28.025 56.05 0.305 6.73 2 56.1 12.9
142 4 2 0 28.169 56.339 0.306 6.65 2 40.1 6.5
143 0 6 2 28.201 56.402 0.307 6.64 2 14.5 0.8
144 0 4 3 28.341 56.681 0.308 6.56 2 53.7 11.5
145 -3 1 4 28.355 56.71 0.308 6.56 2 28.2 3.1
146 3 5 0 28.366 56.733 0.308 6.55 2 17.5 1.2
147 -1 1 4 28.625 57.25 0.311 6.42 2 85.0 28.1
148 -2 2 4 28.682 57.363 0.312 6.39 2 59.6 13.7
149 -4 -4 2 28.716 57.432 0.312 6.37 2 111.4 47.9
150 -1 -7 2 28.912 57.825 0.314 6.27 2 67.7 17.4
151 -1 5 3 28.955 57.909 0.314 6.25 2 4.3 0.1
152 -3 -5 3 29.153 58.305 0.316 6.16 2 69.9 18.2
153 -4 -4 1 29.222 58.443 0.317 6.12 2 75.6 21.2
154 3 -5 1 29.565 59.129 0.32 5.97 2 68.3 16.9
155 -1 -3 4 29.574 59.147 0.32 5.96 2 37.8 5.2
156 -4 4 0 29.763 59.526 0.322 5.88 2 14.4 0.7
157 1 3 3 29.81 59.62 0.323 5.86 2 25.8 2.4
158 2 4 2 29.825 59.65 0.323 5.85 2 138.8 68.3
159 -3 -3 4 29.84 59.68 0.323 5.84 2 35.4 4.4
160 -3 5 3 29.857 59.714 0.323 5.84 2 59.4 12.5
161 -2 -6 3 29.974 59.949 0.324 5.78 2 16.5 0.9
162 -5 1 2 30.049 60.098 0.325 5.75 2 80.1 22.4
163 3 -1 2 30.084 60.168 0.325 5.74 2 28.2 2.8
164 1 7 1 30.094 60.187 0.325 5.73 2 41.1 5.9
165 0 8 0 30.197 60.393 0.326 5.69 2 64.5 14.3
166 2 6 1 30.243 60.485 0.327 5.67 2 32.3 3.6
167 -5 -1 2 30.35 60.699 0.328 5.63 2 14.9 0.8
168 -4 0 4 30.366 60.733 0.328 5.62 2 42.4 6.1
169 -4 -4 3 30.382 60.764 0.328 5.61 2 22.5 1.7
170 -4 4 3 30.413 60.826 0.329 5.6 2 16.3 0.9
171 -2 -4 4 30.488 60.977 0.329 5.57 2 13.2 0.6
172 -1 7 2 30.494 60.988 0.329 5.57 2 42.7 6.2
173 0 -8 1 30.555 61.11 0.33 5.54 2 79.3 21.2
174 0 0 4 30.623 61.247 0.331 5.51 2 5.4 0.1
175 -3 3 4 30.787 61.573 0.332 5.45 2 6.4 0.1
176 3 1 2 30.828 61.656 0.333 5.43 2 28.1 2.6
177 0 -6 3 30.92 61.841 0.334 5.4 2 10.5 0.4
178 -5 1 1 30.93 61.86 0.334 5.39 2 86.4 24.4
179 0 -2 4 30.952 61.904 0.334 5.39 2 26.6 2.3
180 4 0 1 31.052 62.104 0.335 5.35 2 55.2 9.9
181 -4 -2 4 31.213 62.427 0.336 5.29 2 10.4 0.3
182 -5 1 3 31.289 62.578 0.337 5.26 2 54.1 9.3
183 -1 3 4 31.301 62.601 0.337 5.25 2 16.3 0.8
184 1 -5 3 31.315 62.63 0.337 5.25 2 69.9 15.6
185 1 -7 2 31.344 62.687 0.338 5.24 2 73.9 17.3
186 4 -2 1 31.386 62.771 0.338 5.22 2 1.0 0.0
187 -5 -1 1 31.399 62.798 0.338 5.22 2 6.4 0.1
188 3 -3 2 31.406 62.812 0.338 5.22 2 16.4 0.9
189 -5 -1 3 31.41 62.819 0.338 5.21 2 23.1 1.7
190 2 0 3 31.426 62.853 0.338 5.21 2 65.0 13.3
191 -3 7 1 31.459 62.918 0.339 5.2 2 7.9 0.2
192 -4 2 4 31.575 63.151 0.34 5.15 2 102.4 32.8
193 -2 6 3 31.576 63.152 0.34 5.15 2 12.8 0.5
194 2 -2 3 31.668 63.336 0.341 5.12 2 71.3 15.8
195 -5 3 2 31.808 63.615 0.342 5.07 2 8.5 0.2
196 4 4 0 31.836 63.672 0.342 5.06 2 36.2 4.0
197 2 -6 2 31.924 63.847 0.343 5.03 2 34.5 3.6
198 0 8 1 31.946 63.891 0.343 5.02 2 16.6 0.8
199 -2 4 4 32.239 64.477 0.346 4.93 2 43.7 5.7
200 -3 7 0 32.253 64.506 0.346 4.92 2 4.0 0.0
201 0 2 4 32.333 64.667 0.347 4.89 2 63.3 11.9
202 3 5 1 32.376 64.753 0.348 4.88 2 28.6 2.4
203 -2 8 0 32.383 64.766 0.348 4.88 2 112.8 37.6
204 -2 8 1 32.485 64.969 0.349 4.85 2 14.6 0.6
205 -5 3 1 32.491 64.982 0.349 4.84 2 3.9 0.0
206 -4 6 1 32.65 65.3 0.35 4.79 2 119.4 41.4
207 -5 -3 2 32.676 65.353 0.35 4.78 2 65.9 12.6
208 -3 7 2 32.732 65.465 0.351 4.77 2 4.3 0.1
209 4 2 1 32.742 65.483 0.351 4.76 2 9.6 0.3
210 -1 -7 3 32.755 65.509 0.351 4.76 2 66.3 12.7
211 -3 -7 1 32.916 65.832 0.353 4.71 2 41.0 4.8
212 0 -8 2 32.98 65.961 0.353 4.69 2 93.4 24.8
213 -3 -7 2 32.989 65.979 0.353 4.69 2 23.9 1.6
214 -4 6 2 33.025 66.051 0.354 4.68 2 32.6 3.0
215 -1 -5 4 33.089 66.178 0.354 4.66 2 5.6 0.1
216 -2 -8 1 33.132 66.264 0.355 4.64 2 87.5 21.6
217 -5 3 3 33.179 66.357 0.355 4.63 2 32.9 3.0
218 2 2 3 33.194 66.387 0.355 4.63 2 25.8 1.9
219 0 -4 4 33.286 66.571 0.356 4.6 2 15.9 0.7
220 -5 -3 3 33.529 67.057 0.359 4.53 2 107.0 31.5
221 3 3 2 33.559 67.119 0.359 4.52 2 32.7 2.9
222 -3 -5 4 33.587 67.174 0.359 4.51 2 11.2 0.3
223 4 -4 1 33.71 67.42 0.36 4.48 2 4.3 0.1
224 -5 1 0 33.837 67.674 0.361 4.44 2 11.8 0.4
225 -5 -3 1 33.853 67.705 0.362 4.44 2 57.6 8.9
226 2 -4 3 33.895 67.791 0.362 4.43 2 114.5 35.2
227 -2 -8 2 33.911 67.821 0.362 4.42 2 38.6 4.0
228 -4 -6 2 33.986 67.973 0.363 4.4 2 0.6 0.0
229 0 6 3 33.987 67.973 0.363 4.4 2 108.3 31.3
230 -4 -4 4 34.03 68.06 0.363 4.39 2 9.1 0.2
231 -4 6 0 34.298 68.596 0.366 4.32 2 31.2 2.6
232 2 -8 1 34.307 68.613 0.366 4.32 2 67.0 11.8
233 2 8 0 34.368 68.736 0.366 4.3 2 65.0 11.0
234 5 1 0 34.45 68.901 0.367 4.28 2 31.6 2.6
235 1 -1 4 34.466 68.931 0.367 4.28 2 78.4 15.9
236 -5 -1 4 34.471 68.941 0.367 4.28 2 61.3 9.7
237 1 5 3 34.477 68.954 0.367 4.27 2 47.6 5.9
238 -5 1 4 34.521 69.042 0.368 4.26 2 4.1 0.0
239 1 7 2 34.584 69.167 0.368 4.25 2 54.7 7.7
240 -2 8 2 34.603 69.205 0.369 4.24 2 33.3 2.8
241 -4 -6 1 34.613 69.225 0.369 4.24 2 40.5 4.2
242 3 -5 2 34.661 69.321 0.369 4.23 2 30.1 2.3
243 -1 9 0 34.675 69.35 0.369 4.22 2 43.4 4.8
244 -4 4 4 34.721 69.442 0.37 4.21 2 24.0 1.5
245 3 7 0 34.852 69.704 0.371 4.18 2 45.5 5.2
246 -3 -1 5 34.898 69.795 0.371 4.17 2 26.5 1.8
247 -2 0 5 34.96 69.919 0.372 4.15 2 15.7 0.6
248 3 -7 1 35.041 70.081 0.373 4.14 2 0.5 0.0
249 -2 -6 4 35.042 70.085 0.373 4.13 2 62.4 9.8
250 -3 5 4 35.063 70.126 0.373 4.13 2 36.0 3.2
251 -3 -7 3 35.065 70.131 0.373 4.13 2 41.1 4.2
252 -5 3 0 35.168 70.335 0.374 4.11 2 5.6 0.1
253 -1 -9 1 35.243 70.487 0.375 4.09 2 78.5 15.3
254 1 1 4 35.245 70.489 0.375 4.09 2 25.1 1.6
255 -2 -2 5 35.345 70.69 0.376 4.06 2 28.4 2.0
256 -4 -6 3 35.35 70.699 0.376 4.06 2 66.0 10.7
257 -3 1 5 35.353 70.707 0.376 4.06 2 76.6 14.4
258 -1 7 3 35.385 70.77 0.376 4.05 2 18.5 0.8
259 -4 6 3 35.393 70.785 0.376 4.05 2 115.7 32.9
260 2 6 2 35.413 70.826 0.376 4.05 2 29.1 2.1
261 -5 5 2 35.456 70.911 0.377 4.04 2 83.6 17.1
262 1 -3 4 35.615 71.231 0.378 4.0 2 101.7 25.1
263 -1 9 1 35.627 71.254 0.378 4.0 2 57.6 8.0
264 0 8 2 35.631 71.262 0.378 4.0 2 17.3 0.7
265 1 -9 1 35.697 71.393 0.379 3.98 2 50.5 6.2
266 1 9 0 35.763 71.527 0.379 3.97 2 91.5 20.2
267 -1 5 4 35.785 71.571 0.38 3.97 2 43.9 4.6
268 0 4 4 35.926 71.851 0.381 3.94 2 25.0 1.5
269 -5 5 1 35.943 71.886 0.381 3.93 2 18.1 0.8
270 -3 7 3 35.959 71.918 0.381 3.93 2 5.3 0.1
271 4 4 1 36.307 72.615 0.384 3.86 2 90.1 19.0
272 -4 0 5 36.317 72.634 0.384 3.85 2 93.7 20.5
273 -5 -3 4 36.34 72.679 0.385 3.85 2 102.1 24.3
274 -3 -3 5 36.358 72.716 0.385 3.85 2 18.4 0.8
275 -1 -1 5 36.431 72.862 0.385 3.83 2 23.3 1.3
276 -5 3 4 36.487 72.974 0.386 3.82 2 18.4 0.8
277 -2 2 5 36.488 72.977 0.386 3.82 2 20.8 1.0
278 1 -7 3 36.567 73.134 0.387 3.8 2 20.2 0.9
279 -2 -8 3 36.643 73.285 0.387 3.79 2 58.7 7.9
280 -1 -9 2 36.681 73.363 0.388 3.78 2 98.5 22.3
281 2 4 3 36.823 73.646 0.389 3.75 2 76.5 13.3
282 -5 -5 2 36.828 73.655 0.389 3.75 2 6.1 0.1
283 -6 0 2 36.904 73.807 0.39 3.74 2 98.2 21.9
284 -5 5 3 36.921 73.842 0.39 3.73 2 60.3 8.2
285 -4 -2 5 36.934 73.868 0.39 3.73 2 91.5 18.9
286 5 3 0 36.964 73.928 0.39 3.73 2 40.7 3.8
287 -1 1 5 37.116 74.232 0.392 3.7 2 58.9 7.8
288 4 6 0 37.183 74.367 0.392 3.69 2 64.0 9.2
289 4 0 2 37.196 74.392 0.392 3.68 2 120.5 32.4
290 -6 0 3 37.199 74.398 0.392 3.68 2 36.4 3.0
291 0 -8 3 37.266 74.531 0.393 3.67 2 81.0 14.6
292 4 -2 2 37.343 74.686 0.394 3.66 2 43.6 4.2
293 3 -1 3 37.41 74.82 0.394 3.64 2 61.6 8.4
294 0 -6 4 37.435 74.869 0.395 3.64 2 4.0 0.0
295 -6 2 2 37.455 74.909 0.395 3.64 2 17.9 0.7
296 -5 -5 3 37.477 74.955 0.395 3.63 2 12.8 0.4
297 -2 6 4 37.489 74.979 0.395 3.63 2 15.3 0.5
298 2 8 1 37.526 75.051 0.395 3.62 2 101.9 22.8
299 -4 2 5 37.588 75.176 0.396 3.61 2 22.7 1.1
300 -2 -4 5 37.62 75.24 0.396 3.61 2 74.9 12.3
301 -1 -3 5 37.632 75.264 0.396 3.61 2 95.4 19.9
302 -3 3 5 37.697 75.394 0.397 3.59 2 14.8 0.5
303 4 -6 1 37.845 75.691 0.398 3.57 2 19.9 0.9
304 1 3 4 37.902 75.805 0.399 3.56 2 10.6 0.2
305 -6 2 3 37.908 75.815 0.399 3.56 2 37.7 3.1
306 2 -6 3 37.939 75.878 0.399 3.55 2 20.8 0.9
307 3 5 2 38.068 76.135 0.4 3.53 2 47.6 4.9
308 -5 -5 1 38.105 76.209 0.401 3.53 2 1.4 0.0
309 2 -8 2 38.112 76.224 0.401 3.53 2 54.1 6.3
310 1 9 1 38.209 76.419 0.402 3.51 2 49.2 5.1
311 -6 -2 2 38.229 76.459 0.402 3.51 2 78.9 13.2
312 3 1 3 38.241 76.481 0.402 3.5 2 41.7 3.7
313 -1 -7 4 38.301 76.602 0.402 3.5 2 23.0 1.1
314 -5 5 0 38.354 76.708 0.403 3.49 2 72.0 11.0
315 -6 -2 3 38.363 76.726 0.403 3.49 2 4.9 0.1
316 3 -3 3 38.449 76.898 0.404 3.47 2 22.2 1.0
317 -1 9 2 38.492 76.984 0.404 3.47 2 24.5 1.3
318 -6 0 1 38.531 77.061 0.404 3.46 2 37.8 3.0
319 5 -1 1 38.55 77.1 0.405 3.46 2 33.1 2.3
320 -2 8 3 38.585 77.169 0.405 3.45 2 27.0 1.5
321 -4 -6 4 38.612 77.224 0.405 3.45 2 6.7 0.1
322 1 -5 4 38.623 77.246 0.405 3.45 2 44.8 4.2
323 1 -9 2 38.628 77.255 0.405 3.44 2 35.2 2.6
324 3 7 1 38.661 77.322 0.406 3.44 2 64.2 8.6
325 -6 2 1 38.916 77.832 0.408 3.4 2 8.9 0.2
326 4 2 2 38.917 77.833 0.408 3.4 2 43.0 3.8
327 0 10 0 38.955 77.911 0.408 3.4 2 48.8 4.9
328 -3 9 1 38.973 77.945 0.408 3.39 2 22.8 1.1
329 -3 -7 4 39.003 78.007 0.409 3.39 2 12.1 0.3
330 -4 8 1 39.025 78.051 0.409 3.39 2 102.4 21.5
331 0 -10 1 39.117 78.234 0.41 3.37 2 6.9 0.1
332 5 1 1 39.291 78.581 0.411 3.35 2 4.3 0.0
333 -5 -1 5 39.32 78.639 0.411 3.34 2 9.5 0.2
334 4 -4 2 39.351 78.701 0.412 3.34 2 63.3 8.1
335 -6 0 4 39.402 78.804 0.412 3.33 2 38.1 2.9
336 -4 -4 5 39.407 78.814 0.412 3.33 2 79.7 12.8
337 -5 1 5 39.525 79.049 0.413 3.32 2 37.3 2.8
338 -4 8 2 39.532 79.064 0.413 3.32 2 73.5 10.9
339 -3 9 0 39.542 79.084 0.413 3.31 2 1.0 0.0
340 0 0 5 39.549 79.099 0.413 3.31 2 50.6 5.1
341 -4 6 4 39.599 79.197 0.414 3.31 2 15.5 0.5
342 3 -7 2 39.638 79.275 0.414 3.3 2 18.0 0.6
343 -3 -5 5 39.652 79.304 0.414 3.3 2 41.5 3.4
344 -1 3 5 39.653 79.306 0.414 3.3 2 62.4 7.8
345 5 -3 1 39.661 79.323 0.414 3.3 2 17.1 0.6
346 0 -2 5 39.687 79.373 0.415 3.29 2 62.4 7.8
347 -2 4 5 39.846 79.692 0.416 3.27 2 6.2 0.1
348 -6 4 2 39.856 79.713 0.416 3.27 2 61.3 7.4
349 2 0 4 39.86 79.719 0.416 3.27 2 65.8 8.6
350 2 -2 4 39.922 79.843 0.417 3.26 2 14.6 0.4
351 -6 -2 1 39.996 79.991 0.417 3.26 2 42.3 3.5
352 -1 -9 3 39.997 79.995 0.417 3.26 2 44.9 4.0
353 -5 -5 4 40.023 80.045 0.417 3.25 2 4.0 0.0
354 -6 2 4 40.255 80.51 0.419 3.22 2 18.8 0.7
355 -5 5 4 40.261 80.522 0.42 3.22 2 29.1 1.6
356 -3 9 2 40.297 80.593 0.42 3.22 2 90.0 15.8
357 -6 -2 4 40.391 80.781 0.421 3.21 2 8.1 0.1
358 -4 8 0 40.411 80.822 0.421 3.2 2 21.4 0.9
359 -6 4 3 40.457 80.915 0.421 3.2 2 23.2 1.0
360 -3 -9 2 40.602 81.203 0.422 3.18 2 36.0 2.5
361 -1 -5 5 40.663 81.326 0.423 3.18 2 2.6 0.0
362 0 10 1 40.684 81.368 0.423 3.17 2 34.0 2.2
363 -4 4 5 40.687 81.374 0.423 3.17 2 53.8 5.6
364 -3 -9 1 40.69 81.38 0.423 3.17 2 8.9 0.2
365 -2 10 0 40.696 81.392 0.423 3.17 2 40.9 3.2
366 1 7 3 40.708 81.416 0.423 3.17 2 32.1 2.0
367 -4 -8 2 40.729 81.457 0.424 3.17 2 98.9 18.8
368 -5 7 2 40.79 81.58 0.424 3.16 2 48.2 4.4
369 3 3 3 40.905 81.811 0.425 3.15 2 44.8 3.8
370 -2 10 1 40.945 81.89 0.425 3.14 2 19.7 0.7
371 -5 -3 5 40.954 81.908 0.425 3.14 2 96.8 17.8
372 -3 7 4 40.958 81.916 0.425 3.14 2 11.9 0.3
373 0 8 3 41.047 82.095 0.426 3.13 2 63.5 7.7
374 -5 7 1 41.101 82.202 0.427 3.13 2 44.9 3.8
375 -6 4 1 41.138 82.277 0.427 3.12 2 116.4 25.7
376 0 -10 2 41.163 82.327 0.427 3.12 2 12.2 0.3
377 -2 -8 4 41.183 82.366 0.427 3.12 2 47.2 4.2
378 0 6 4 41.212 82.424 0.428 3.12 2 5.1 0.0
379 0 2 5 41.248 82.497 0.428 3.11 2 37.2 2.6
380 5 5 0 41.252 82.503 0.428 3.11 2 12.2 0.3
381 3 -5 3 41.315 82.63 0.429 3.1 2 44.7 3.8
382 -6 -4 3 41.351 82.702 0.429 3.1 2 93.4 16.4
383 -6 -4 2 41.376 82.752 0.429 3.1 2 48.8 4.5
384 -4 -8 1 41.473 82.946 0.43 3.09 2 20.6 0.8
385 -5 3 5 41.563 83.126 0.431 3.08 2 57.8 6.2
386 4 6 1 41.572 83.143 0.431 3.08 2 17.3 0.6
387 2 2 4 41.63 83.26 0.431 3.07 2 11.0 0.2
388 0 -4 5 41.656 83.312 0.431 3.07 2 58.8 6.4
389 -2 -6 5 41.681 83.361 0.432 3.07 2 7.1 0.1
390 -2 -10 1 41.688 83.376 0.432 3.07 2 39.8 2.9
391 2 -4 4 41.815 83.629 0.433 3.06 2 31.1 1.8
392 -3 5 5 41.822 83.644 0.433 3.05 2 118.5 26.0
393 5 3 1 41.858 83.716 0.433 3.05 2 19.9 0.7
394 -4 -8 3 41.859 83.719 0.433 3.05 2 56.5 5.9
395 -1 7 4 41.875 83.751 0.433 3.05 2 31.4 1.8
396 -4 8 3 41.914 83.828 0.434 3.05 2 69.2 8.8
397 3 -9 1 41.986 83.971 0.434 3.04 2 33.3 2.0
398 6 0 0 42.013 84.026 0.434 3.04 2 91.3 15.3
399 2 6 3 42.149 84.298 0.436 3.02 2 1.9 0.0
400 -6 2 0 42.236 84.472 0.436 3.02 2 34.8 2.2
401 -2 -10 2 42.254 84.508 0.436 3.02 2 43.1 3.4
402 2 -10 1 42.321 84.641 0.437 3.01 2 21.0 0.8
403 1 5 4 42.325 84.65 0.437 3.01 2 33.8 2.1
404 -5 7 3 42.352 84.704 0.437 3.01 2 28.4 1.5
405 -3 -9 3 42.386 84.773 0.438 3.0 2 24.4 1.1
406 4 4 2 42.441 84.882 0.438 3.0 2 43.6 3.5
407 2 8 2 42.465 84.931 0.438 3.0 2 105.9 20.4
408 1 9 2 42.478 84.956 0.438 3.0 2 34.7 2.2
409 5 -5 1 42.589 85.178 0.439 2.99 2 9.8 0.2
410 -5 -7 2 42.632 85.265 0.44 2.98 2 27.6 1.4
411 3 9 0 42.649 85.298 0.44 2.98 2 6.5 0.1
412 -6 4 4 42.925 85.851 0.442 2.96 2 8.2 0.1
413 2 10 0 42.99 85.979 0.443 2.95 2 14.9 0.4
414 -2 10 2 43.062 86.123 0.443 2.95 2 14.5 0.4
415 -3 -1 6 43.067 86.135 0.443 2.95 2 1.3 0.0
416 -5 -7 3 43.105 86.21 0.444 2.95 2 47.6 4.0
417 4 -6 2 43.151 86.303 0.444 2.94 2 11.8 0.2
418 -1 9 3 43.159 86.319 0.444 2.94 2 70.6 8.9
419 -6 -4 4 43.194 86.388 0.444 2.94 2 16.8 0.5
420 0 -8 4 43.246 86.491 0.445 2.94 2 90.2 14.5
421 -6 -4 1 43.267 86.534 0.445 2.93 2 12.6 0.3
422 -5 7 0 43.278 86.556 0.445 2.93 2 12.1 0.3
423 1 -9 3 43.358 86.716 0.446 2.93 2 32.0 1.8
424 1 -7 4 43.379 86.758 0.446 2.93 2 90.3 14.5
425 -6 0 5 43.438 86.875 0.446 2.92 2 47.9 4.1
426 -3 9 3 43.476 86.952 0.447 2.92 2 27.9 1.4
427 6 2 0 43.607 87.215 0.448 2.91 2 102.3 18.5
428 4 -8 1 43.65 87.301 0.448 2.91 2 70.3 8.7
429 -3 1 6 43.652 87.303 0.448 2.91 2 133.7 31.5
430 -4 -6 5 43.657 87.313 0.448 2.91 2 65.0 7.4
431 2 -8 3 43.661 87.322 0.448 2.91 2 53.7 5.1
432 1 -1 5 43.714 87.427 0.449 2.9 2 43.7 3.4
433 -4 0 6 43.762 87.524 0.449 2.9 2 14.6 0.4
434 -1 11 0 43.842 87.684 0.45 2.89 2 12.3 0.3
435 -2 0 6 43.931 87.862 0.45 2.89 2 18.1 0.6
436 -1 5 5 43.964 87.929 0.451 2.89 2 74.3 9.7
437 -5 -7 1 44.022 88.044 0.451 2.88 2 10.8 0.2
438 -6 6 2 44.038 88.076 0.451 2.88 2 48.8 4.2
439 4 8 0 44.077 88.154 0.452 2.88 2 30.6 1.6
440 -2 -2 6 44.14 88.279 0.452 2.88 2 12.1 0.3
441 -4 -2 6 44.199 88.398 0.453 2.87 2 8.1 0.1
442 3 7 2 44.221 88.442 0.453 2.87 2 6.3 0.1
443 -6 -2 5 44.257 88.514 0.453 2.87 2 19.2 0.6
444 0 10 2 44.259 88.517 0.453 2.87 2 76.1 10.1
445 -6 4 0 44.274 88.549 0.453 2.87 2 75.1 9.8
446 -3 -3 6 44.297 88.594 0.453 2.87 2 38.9 2.6
447 -2 8 4 44.305 88.61 0.453 2.87 2 70.2 8.6
448 -5 -5 5 44.39 88.78 0.454 2.86 2 4.7 0.0
449 -6 2 5 44.431 88.863 0.454 2.86 2 17.5 0.5
450 -7 1 3 44.441 88.883 0.454 2.86 2 30.5 1.6
451 -1 -11 1 44.45 88.9 0.455 2.86 2 34.6 2.1
452 1 1 5 44.599 89.198 0.456 2.85 2 26.2 1.2
453 1 -3 5 44.641 89.282 0.456 2.85 2 15.6 0.4
454 1 -11 1 44.65 89.301 0.456 2.85 2 0.9 0.0
455 -2 -10 3 44.679 89.358 0.456 2.84 2 4.6 0.0
456 -3 -7 5 44.689 89.378 0.456 2.84 2 5.2 0.0
457 0 4 5 44.748 89.496 0.457 2.84 2 44.3 3.4
458 -7 -1 3 44.776 89.553 0.457 2.84 2 19.2 0.6
459 -6 6 3 44.785 89.57 0.457 2.84 2 29.9 1.5
460 -7 1 2 44.807 89.614 0.457 2.84 2 8.7 0.1
461 4 -2 3 44.834 89.667 0.458 2.84 2 5.9 0.1
462 -4 -8 4 44.845 89.691 0.458 2.84 2 3.3 0.0
463 4 0 3 44.846 89.692 0.458 2.84 2 29.7 1.5
464 -1 11 1 44.893 89.785 0.458 2.83 2 1.9 0.0
465 -2 6 5 44.946 89.893 0.459 2.83 2 64.9 7.2
466 5 -1 2 44.95 89.9 0.459 2.83 2 18.7 0.6
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 7.129 14.258 6.20677 46.3 8.1 8.1 5.6
2 0 2 0 7.224 14.447 6.12584 38.8 6.8 6.8 5.6
3 0 0 1 7.316 14.633 6.04861 17.4 3.0 3.1 5.6
4 -1 -1 1 8.042 16.085 5.50565 85.6 14.9 15.0 5.6
5 -2 0 1 11.626 23.253 3.82219 573.0 100.0 100.0 5.6
6 1 -1 1 11.963 23.925 3.71626 79.2 13.8 13.8 5.6
7 -1 3 0 12.252 24.504 3.62972 198.6 34.7 34.6 5.6
8 1 1 1 12.608 25.215 3.52901 228.9 39.9 39.9 5.6
9 2 0 0 12.891 25.782 3.45264 10.6 1.9 1.8 5.6
10 -1 -3 1 12.986 25.972 3.4279 65.5 11.4 11.4 5.6
11 1 3 0 13.052 26.104 3.41079 45.1 7.9 7.9 5.6
12 -1 -1 2 13.462 26.923 3.30886 28.9 5.0 5.0 5.6
13 -1 1 2 13.885 27.77 3.20988 299.5 52.3 52.1 5.6
14 -2 2 0 14.371 28.743 3.10338 237.6 41.5 41.3 5.6
15 0 4 0 14.565 29.131 3.06292 227.9 39.8 39.6 5.6
16 -2 0 2 14.641 29.282 3.04743 292.3 51.0 50.8 5.6
17 0 0 2 14.756 29.511 3.0243 458.6 80.0 79.6 5.6
18 2 2 0 15.292 30.585 2.92053 124.0 21.6 21.5 5.6
19 1 -3 1 15.331 30.662 2.91338 63.8 11.1 11.1 5.6
20 0 -4 1 15.794 31.588 2.83008 339.7 59.3 58.9 5.6
21 0 -2 2 15.927 31.853 2.80707 41.3 7.2 7.2 5.6
22 -2 -2 2 16.249 32.498 2.75282 30.7 5.3 5.3 5.6
23 -2 2 2 16.546 33.093 2.70473 10.4 1.8 1.8 5.6
24 -1 -3 2 16.684 33.368 2.68305 27.4 4.8 4.7 5.7
25 1 3 1 16.842 33.684 2.65859 151.0 26.3 26.1 5.7
26 0 4 1 16.935 33.869 2.64445 6.2 1.1 1.1 5.7
27 -1 3 2 17.716 35.433 2.53126 27.3 4.8 4.7 5.7
28 -3 -1 1 18.023 36.047 2.48954 18.7 3.3 3.2 5.7
29 2 -2 1 18.484 36.967 2.42966 29.9 5.2 5.2 5.7
30 -2 4 1 18.557 37.115 2.42033 134.0 23.4 23.1 5.7
31 1 -1 2 18.716 37.431 2.4006 36.4 6.4 6.3 5.7
32 -3 -1 2 18.905 37.81 2.37743 65.1 11.4 11.2 5.7
33 -2 -4 1 19.041 38.081 2.36109 198.8 34.7 34.3 5.7
34 -1 -5 1 19.646 39.292 2.29107 42.2 7.4 7.3 5.7
35 2 2 1 19.719 39.439 2.28289 15.9 2.8 2.7 5.7
36 3 1 0 20.173 40.346 2.23363 11.3 2.0 1.9 5.7
37 2 4 0 20.354 40.707 2.21464 114.1 19.9 19.6 5.7
38 -1 1 3 20.906 41.812 2.15864 21.8 3.8 3.7 5.7
39 -3 -3 1 21.188 42.376 2.13121 33.9 5.9 5.8 5.7
40 -2 -2 3 21.246 42.492 2.12564 11.6 2.0 2.0 5.7
41 -3 3 2 21.593 43.185 2.09312 19.0 3.3 3.3 5.7
42 2 -4 1 22.078 44.156 2.04936 90.4 15.8 15.5 5.7
43 0 6 0 22.162 44.324 2.04195 43.0 7.5 7.4 5.7
44 -3 1 3 22.687 45.373 1.99714 25.5 4.5 4.4 5.7
45 1 3 2 22.732 45.464 1.99336 18.1 3.2 3.1 5.7
46 1 5 1 22.936 45.872 1.97657 66.7 11.6 11.4 5.7
47 3 3 0 23.305 46.609 1.94702 12.2 2.1 2.1 5.7
48 -4 0 2 23.769 47.539 1.91109 40.4 7.0 6.9 5.7
49 2 0 2 23.997 47.994 1.89402 15.7 2.7 2.7 5.7
50 0 6 1 24.089 48.178 1.88721 39.8 6.9 6.8 5.7
51 2 -2 2 24.491 48.981 1.85813 14.1 2.5 2.4 5.7
52 3 1 1 24.696 49.391 1.84367 25.1 4.4 4.3 5.7
53 -4 2 2 24.781 49.563 1.83769 48.4 8.4 8.2 5.7
54 -3 -3 3 24.817 49.634 1.83522 9.5 1.7 1.6 5.7
55 -2 6 1 25.034 50.067 1.82035 11.6 2.0 2.0 5.7
56 -3 5 1 25.162 50.323 1.81168 27.9 4.9 4.8 5.8
57 2 2 2 25.883 51.767 1.7645 17.3 3.0 2.9 5.8
58 -2 4 3 25.918 51.835 1.76234 17.4 3.0 3.0 5.8
59 0 -4 3 26.064 52.129 1.7531 110.8 19.3 18.8 5.8
60 1 -1 3 26.233 52.467 1.74261 14.5 2.5 2.5 5.8
61 4 0 0 26.5 53.0 1.72632 69.9 12.2 11.8 5.8
62 -2 -6 2 26.706 53.413 1.71395 9.4 1.6 1.6 5.8
63 1 1 3 26.954 53.907 1.69939 50.6 8.8 8.6 5.8
64 -4 2 0 27.059 54.119 1.69324 7.0 1.2 1.2 5.8
65 -2 0 4 27.116 54.232 1.68998 115.4 20.1 19.5 5.8
66 -4 -2 3 27.168 54.336 1.687 9.8 1.7 1.7 5.8
67 2 -4 2 27.269 54.538 1.6812 21.8 3.8 3.7 5.8
68 -1 7 1 27.423 54.847 1.67248 20.1 3.5 3.4 5.8
69 1 7 0 27.492 54.983 1.66865 10.7 1.9 1.8 5.8
70 2 -6 1 27.531 55.063 1.66643 20.5 3.6 3.5 5.8
71 3 3 1 27.613 55.227 1.66187 9.0 1.6 1.5 5.8
72 -4 4 1 27.783 55.566 1.65252 14.6 2.5 2.5 5.8
73 1 -7 1 27.879 55.758 1.64728 6.2 1.1 1.0 5.8
74 1 5 2 27.968 55.936 1.64247 15.0 2.6 2.5 5.8
75 -4 4 2 28.01 56.021 1.64018 63.4 11.1 10.7 5.8
76 4 2 0 28.169 56.339 1.63167 6.5 1.1 1.1 5.8
77 0 4 3 28.341 56.681 1.62263 15.8 2.8 2.7 5.8
78 -1 1 4 28.625 57.25 1.60785 28.1 4.9 4.7 5.8
79 -2 2 4 28.682 57.363 1.60494 13.7 2.4 2.3 5.8
80 -4 -4 2 28.716 57.432 1.6032 47.9 8.4 8.1 5.8
81 -1 -7 2 28.912 57.825 1.59322 17.4 3.0 2.9 5.8
82 -3 -5 3 29.153 58.305 1.58123 18.2 3.2 3.1 5.8
83 -4 -4 1 29.222 58.443 1.57783 21.2 3.7 3.6 5.8
84 3 -5 1 29.565 59.129 1.56116 22.0 3.8 3.7 5.8
85 2 4 2 29.825 59.65 1.54875 70.7 12.3 11.9 5.8
86 -3 5 3 29.857 59.714 1.54726 16.9 3.0 2.8 5.8
87 -5 1 2 30.049 60.098 1.53829 22.4 3.9 3.8 5.8
88 1 7 1 30.094 60.187 1.53621 8.6 1.5 1.5 5.8
89 0 8 0 30.197 60.393 1.53146 14.3 2.5 2.4 5.8
90 -4 0 4 30.366 60.733 1.52371 7.8 1.4 1.3 5.8
91 -1 7 2 30.494 60.988 1.51795 6.2 1.1 1.0 5.8
92 0 -8 1 30.555 61.11 1.51522 21.2 3.7 3.5 5.8
93 -5 1 1 30.93 61.86 1.49863 26.7 4.7 4.5 5.8
94 4 0 1 31.052 62.104 1.49333 9.9 1.7 1.7 5.8
95 1 -5 3 31.315 62.63 1.48205 43.1 7.5 7.2 5.8
96 2 0 3 31.426 62.853 1.47732 15.0 2.6 2.5 5.9
97 -4 2 4 31.575 63.151 1.47106 33.3 5.8 5.6 5.9
98 2 -2 3 31.668 63.336 1.46721 15.8 2.8 2.6 5.9
99 -2 4 4 32.239 64.477 1.44397 5.8 1.0 1.0 5.9
100 0 2 4 32.333 64.667 1.4402 11.9 2.1 2.0 5.9
101 -2 8 0 32.383 64.766 1.43823 40.0 7.0 6.7 5.9
102 -4 6 1 32.65 65.3 1.42776 54.0 9.4 9.0 5.9
103 -1 -7 3 32.755 65.509 1.4237 12.7 2.2 2.1 5.9
104 0 -8 2 32.98 65.961 1.41504 26.4 4.6 4.4 5.9
105 -2 -8 1 33.132 66.264 1.4093 21.6 3.8 3.6 5.9
106 -5 -3 3 33.529 67.057 1.39454 31.5 5.5 5.2 5.9
107 -5 -3 1 33.853 67.705 1.38277 8.9 1.6 1.5 5.9
108 2 -4 3 33.895 67.791 1.38123 39.2 6.8 6.5 5.9
109 0 6 3 33.987 67.973 1.37796 31.3 5.5 5.2 5.9
110 2 -8 1 34.307 68.613 1.36666 14.3 2.5 2.4 5.9
111 2 8 0 34.368 68.736 1.36453 11.0 1.9 1.8 5.9
112 1 5 3 34.477 68.954 1.36073 34.1 6.0 5.6 5.9
113 1 7 2 34.584 69.167 1.35706 14.8 2.6 2.4 5.9
114 -1 9 0 34.675 69.35 1.35393 7.2 1.2 1.2 5.9
115 -2 -6 4 35.042 70.085 1.34152 17.2 3.0 2.8 5.9
116 -1 -9 1 35.243 70.487 1.33485 16.8 2.9 2.8 5.9
117 -3 1 5 35.353 70.707 1.33124 27.2 4.7 4.5 5.9
118 -4 6 3 35.393 70.785 1.32996 35.0 6.1 5.8 5.9
119 -5 5 2 35.456 70.911 1.32791 17.1 3.0 2.8 5.9
120 1 -3 4 35.615 71.231 1.32273 33.9 5.9 5.6 5.9
121 1 -9 1 35.697 71.393 1.32012 6.2 1.1 1.0 5.9
122 1 9 0 35.763 71.527 1.31798 24.8 4.3 4.1 5.9
123 -4 0 5 36.317 72.634 1.30059 64.6 11.3 10.6 6.0
124 -2 -8 3 36.643 73.285 1.29064 7.9 1.4 1.3 6.0
125 -1 -9 2 36.681 73.363 1.28947 22.3 3.9 3.7 6.0
126 2 4 3 36.823 73.646 1.28521 13.4 2.3 2.2 6.0
127 -6 0 2 36.904 73.807 1.28279 30.1 5.3 4.9 6.0
128 -4 -2 5 36.934 73.868 1.28189 18.9 3.3 3.1 6.0
129 -1 1 5 37.116 74.232 1.2765 7.8 1.4 1.3 6.0
130 4 0 2 37.196 74.392 1.27416 44.5 7.8 7.3 6.0
131 0 -8 3 37.266 74.531 1.27212 14.6 2.5 2.4 6.0
132 3 -1 3 37.41 74.82 1.26792 8.4 1.5 1.4 6.0
133 2 8 1 37.526 75.051 1.26458 22.8 4.0 3.7 6.0
134 -1 -3 5 37.632 75.264 1.26154 32.2 5.6 5.3 6.0
135 2 -8 2 38.112 76.224 1.24802 6.3 1.1 1.0 6.0
136 -6 -2 2 38.229 76.459 1.24477 22.1 3.9 3.6 6.0
137 -5 5 0 38.354 76.708 1.24135 11.0 1.9 1.8 6.0
138 1 -5 4 38.623 77.246 1.23405 6.8 1.2 1.1 6.0
139 3 7 1 38.661 77.322 1.23302 8.6 1.5 1.4 6.0
140 0 10 0 38.955 77.911 1.22517 6.0 1.0 1.0 6.0
141 -4 8 1 39.025 78.051 1.22332 21.5 3.8 3.5 6.0
142 4 -4 2 39.351 78.701 1.21483 8.1 1.4 1.3 6.0
143 -4 -4 5 39.407 78.814 1.21337 15.7 2.7 2.6 6.0
144 0 0 5 39.549 79.099 1.20972 18.8 3.3 3.0 6.0
145 -1 3 5 39.653 79.306 1.20708 11.8 2.1 1.9 6.0
146 0 -2 5 39.687 79.373 1.20622 7.8 1.4 1.3 6.0
147 2 0 4 39.86 79.719 1.20186 16.0 2.8 2.6 6.0
148 -1 -9 3 39.997 79.995 1.19841 7.5 1.3 1.2 6.0
149 -3 9 2 40.297 80.593 1.19101 15.8 2.8 2.6 6.1
150 -2 10 0 40.696 81.392 1.18133 13.2 2.3 2.1 6.1
151 -4 -8 2 40.729 81.457 1.18055 18.8 3.3 3.0 6.1
152 -5 -3 5 40.954 81.908 1.17519 18.1 3.2 2.9 6.1
153 0 8 3 41.047 82.095 1.17298 7.7 1.3 1.2 6.1
154 -6 4 1 41.138 82.277 1.17085 25.9 4.5 4.2 6.1
155 -6 -4 3 41.351 82.702 1.1659 20.9 3.6 3.4 6.1
156 -5 3 5 41.563 83.126 1.16104 6.8 1.2 1.1 6.1
157 0 -4 5 41.656 83.312 1.15891 6.5 1.1 1.1 6.1
158 -3 5 5 41.822 83.644 1.15516 27.8 4.9 4.5 6.1
159 -4 -8 3 41.859 83.719 1.15431 7.7 1.3 1.2 6.1
160 -4 8 3 41.914 83.828 1.15309 8.8 1.5 1.4 6.1
161 6 0 0 42.013 84.026 1.15088 17.4 3.0 2.8 6.1
162 2 8 2 42.465 84.931 1.14091 26.0 4.5 4.2 6.1
163 -1 9 3 43.159 86.319 1.12609 8.9 1.5 1.4 6.1
164 0 -8 4 43.246 86.491 1.12429 14.8 2.6 2.4 6.1
165 1 -7 4 43.379 86.758 1.12151 16.3 2.8 2.6 6.1
166 6 2 0 43.607 87.215 1.11681 18.5 3.2 2.9 6.2
167 -3 1 6 43.652 87.303 1.11591 52.8 9.2 8.4 6.2
168 -1 5 5 43.964 87.929 1.10958 9.7 1.7 1.5 6.2
169 0 10 2 44.259 88.517 1.10371 19.9 3.5 3.2 6.2
170 -2 8 4 44.305 88.61 1.10279 11.2 2.0 1.8 6.2
171 -2 6 5 44.946 89.893 1.09036 7.8 1.4 1.2 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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