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
4, at 4.68 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 = 7.579 alpha = 93.37
b = 12.22 beta = 116.3
c = 6.7141 gamma = 92.35
Unit cell volume (cub. angs.) = 554.92
Molar volume ( cub.cm/mol.) = 83.56
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2534 0.0096 0.128 0.0 Na = 1.00
2 0.0128 0.1566 0.2197 0.0 B = 1.00
3 0.0055 0.8098 0.2092 0.0 Si = 1.00
4 0.6985 0.0979 0.3199 0.0 Si = 1.00
5 0.6715 0.8611 0.3516 0.0 Si = 1.00
6 0.0063 0.1333 0.0032 0.0 O = 1.00
7 0.5748 0.9783 0.2685 0.0 O = 1.00
8 0.8439 0.0855 0.2164 0.0 O = 1.00
9 0.8093 0.8325 0.2295 0.0 O = 1.00
10 0.9884 0.2714 0.2697 0.0 O = 1.00
11 0.0265 0.6786 0.1936 0.0 O = 1.00
12 0.2018 0.1223 0.3827 0.0 O = 1.00
13 0.1945 0.8691 0.4135 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2534 0.0096 0.128
2 2 0.0128 0.1566 0.2197
3 3 0.0055 0.8098 0.2092
4 4 0.6985 0.0979 0.3199
5 5 0.6715 0.8611 0.3516
6 6 0.0063 0.1333 0.0032
7 7 0.5748 0.9783 0.2685
8 8 0.8439 0.0855 0.2164
9 9 0.8093 0.8325 0.2295
10 10 0.9884 0.2714 0.2697
11 11 0.0265 0.6786 0.1936
12 12 0.2018 0.1223 0.3827
13 13 0.1945 0.8691 0.4135
14 1 0.7466 0.9904 0.872
15 2 0.9872 0.8434 0.7803
16 3 0.9945 0.1902 0.7908
17 4 0.3015 0.9021 0.6801
18 5 0.3285 0.1389 0.6484
19 6 0.9936 0.8667 0.9968
20 7 0.4252 0.0217 0.7315
21 8 0.1561 0.9146 0.7836
22 9 0.1907 0.1675 0.7705
23 10 0.0116 0.7286 0.7304
24 11 0.9735 0.3214 0.8064
25 12 0.7982 0.8777 0.6173
26 13 0.8055 0.1309 0.5865
27 1 0.2466 0.4904 0.872
28 2 0.4872 0.3434 0.7803
29 3 0.4945 0.6902 0.7908
30 4 0.8015 0.4021 0.6801
31 5 0.8285 0.6389 0.6484
32 6 0.4937 0.3667 0.9968
33 7 0.9252 0.5217 0.7315
34 8 0.6561 0.4146 0.7836
35 9 0.6907 0.6675 0.7705
36 10 0.5116 0.2286 0.7304
37 11 0.4735 0.8214 0.8064
38 12 0.2982 0.3777 0.6173
39 13 0.3055 0.6309 0.5865
40 1 0.7534 0.5096 0.128
41 2 0.5128 0.6566 0.2197
42 3 0.5055 0.3098 0.2092
43 4 0.1985 0.5979 0.3199
44 5 0.1715 0.3611 0.3516
45 6 0.5064 0.6333 0.0032
46 7 0.0748 0.4783 0.2685
47 8 0.3439 0.5854 0.2164
48 9 0.3093 0.3325 0.2295
49 10 0.4884 0.7714 0.2696
50 11 0.5265 0.1786 0.1936
51 12 0.7018 0.6223 0.3827
52 13 0.6945 0.3691 0.4135
X-ray density (g/cm cub.) = 2.94
MU (1/cm) = 87.299 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
2.341 6
2.2478 7
2.309 12
2.3878 6
2.3115 8
2.7345 11
2 B 1.872 4
1.4431 6
1.509 8
1.4616 10
1.4623 12
3 Si 2.1 4
1.5862 9
1.6188 11
1.5859 13
1.5923 6
4 Si 2.1 4
1.6367 7
1.5492 8
1.6204 13
1.6172 11
5 Si 2.1 4
1.6486 7
1.6248 9
1.6028 12
1.5989 10
6 O 3.264 8
2.3468 8
2.4386 10
2.3271 12
3.252 6
2.5558 9
2.6842 11
2.5217 13
3.0863 9
7 O 3.264 6
2.543 8
2.649 9
2.6182 12
2.6554 13
2.5866 10
2.5369 11
8 O 3.264 7
2.3468 6
2.543 7
3.1008 9
2.4174 10
2.4418 12
2.6569 13
2.6506 11
9 O 3.264 10
2.649 7
3.1008 8
2.6185 11
2.623 13
2.5558 6
2.6683 12
2.8435 11
3.0863 6
2.6463 10
3.0342 12
10 O 3.264 8
2.4386 6
2.4174 8
2.4144 12
3.1588 11
2.6809 12
2.5866 7
2.6463 9
3.0507 13
11 O 3.264 8
2.6185 9
2.6278 13
2.6842 6
3.1588 10
2.8435 9
2.6661 13
2.5369 7
2.6506 8
12 O 3.264 8
2.3271 6
2.4418 8
2.4144 10
3.1129 13
2.6182 7
2.6683 9
2.6809 10
3.0342 9
13 O 3.264 9
2.623 9
2.6278 11
3.1129 12
2.5217 6
2.6554 7
2.6569 8
2.6661 11
3.2027 13
3.0507 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 7.234 14.468 0.082 123.17 2 23.9 45.7
2 0 2 0 7.276 14.551 0.082 121.75 2 19.8 31.1
3 0 0 1 7.38 14.76 0.083 118.26 2 12.6 12.1
4 1 1 0 7.713 15.426 0.087 108.08 2 6.9 3.4
5 -1 -1 1 8.144 16.288 0.092 96.71 2 34.7 75.8
6 -1 1 1 8.274 16.548 0.093 93.63 2 7.7 3.6
7 0 -2 1 9.931 19.862 0.112 64.33 2 7.6 2.4
8 0 2 1 10.834 21.669 0.122 53.7 2 8.6 2.6
9 -2 0 1 11.842 23.683 0.133 44.61 2 142.0 584.6
10 1 -1 1 12.109 24.218 0.136 42.57 2 56.6 88.6
11 -1 3 0 12.354 24.709 0.139 40.82 2 87.9 204.6
12 1 1 1 12.783 25.566 0.144 37.99 2 96.3 228.6
13 -1 -3 1 13.117 26.235 0.147 35.98 2 47.2 52.1
14 2 0 0 13.143 26.286 0.148 35.83 2 17.6 7.2
15 1 3 0 13.213 26.426 0.148 35.43 2 37.0 31.5
16 -1 3 1 13.364 26.728 0.15 34.59 2 11.0 2.7
17 -1 -1 2 13.579 27.158 0.152 33.44 2 35.4 27.3
18 -2 2 1 13.767 27.534 0.154 32.47 2 12.0 3.0
19 -1 1 2 14.004 28.008 0.157 31.32 2 112.6 258.0
20 -2 -2 1 14.138 28.276 0.159 30.69 2 59.4 70.4
21 -2 2 0 14.587 29.174 0.163 28.71 2 115.3 247.9
22 0 4 0 14.672 29.344 0.164 28.36 2 107.2 211.5
23 -2 0 2 14.831 29.661 0.166 27.71 2 128.0 294.8
24 0 0 2 14.886 29.773 0.167 27.49 2 164.7 484.1
25 1 -3 1 15.468 30.936 0.173 25.32 2 54.2 48.3
26 2 2 0 15.571 31.141 0.174 24.96 2 83.7 113.5
27 0 -4 1 15.901 31.802 0.178 23.86 2 157.7 385.5
28 0 -2 2 16.051 32.101 0.179 23.38 2 52.4 41.7
29 -2 -2 2 16.459 32.918 0.184 22.14 2 49.3 34.9
30 -2 2 2 16.727 33.454 0.187 21.38 2 24.5 8.3
31 -1 -3 2 16.823 33.647 0.188 21.12 2 46.9 30.1
32 1 3 1 17.051 34.103 0.19 20.51 2 105.0 146.9
33 0 4 1 17.078 34.156 0.191 20.44 2 30.1 12.0
34 0 2 2 17.219 34.438 0.192 20.07 2 11.4 1.7
35 -1 3 2 17.861 35.722 0.199 18.53 2 52.7 33.5
36 2 0 1 17.883 35.766 0.199 18.48 2 11.7 1.6
37 -3 1 1 18.036 36.073 0.201 18.14 2 15.8 2.9
38 -3 -1 1 18.391 36.781 0.205 17.38 2 44.2 22.0
39 2 -2 1 18.741 37.482 0.209 16.67 2 52.5 29.8
40 -2 4 1 18.741 37.483 0.209 16.67 2 113.0 138.4
41 1 -1 2 18.922 37.843 0.21 16.32 2 61.7 40.4
42 -2 4 0 19.115 38.23 0.213 15.96 2 39.9 16.5
43 -3 1 2 19.151 38.302 0.213 15.89 2 8.9 0.8
44 -1 5 0 19.165 38.33 0.213 15.87 2 55.7 32.0
45 -3 -1 2 19.232 38.464 0.214 15.75 2 59.8 36.6
46 -2 -4 1 19.305 38.61 0.215 15.61 2 141.0 201.5
47 1 1 2 19.634 39.267 0.218 15.04 2 25.3 6.2
48 -1 -5 1 19.825 39.649 0.22 14.72 2 60.1 34.5
49 -3 1 0 20.011 40.023 0.222 14.42 2 5.2 0.3
50 2 2 1 20.041 40.082 0.222 14.37 2 40.8 15.5
51 -1 5 1 20.11 40.221 0.223 14.26 2 17.1 2.7
52 1 5 0 20.14 40.28 0.224 14.21 2 25.3 5.9
53 0 -4 2 20.177 40.354 0.224 14.16 2 24.5 5.5
54 -2 0 3 20.437 40.874 0.227 13.76 2 5.5 0.3
55 -1 -1 3 20.546 41.093 0.228 13.59 2 53.8 25.5
56 3 1 0 20.581 41.162 0.228 13.54 2 33.7 10.0
57 -3 3 1 20.642 41.283 0.229 13.45 2 64.9 36.8
58 2 4 0 20.66 41.319 0.229 13.43 2 72.0 45.3
59 -2 -4 2 20.887 41.774 0.231 13.1 2 11.2 1.1
60 -1 1 3 21.084 42.168 0.234 12.83 2 52.1 22.6
61 1 -3 2 21.09 42.18 0.234 12.82 2 23.9 4.8
62 1 -5 1 21.163 42.325 0.234 12.72 2 3.2 0.1
63 -2 4 2 21.324 42.647 0.236 12.51 2 19.3 3.0
64 -2 -2 3 21.463 42.926 0.238 12.33 2 44.7 16.0
65 -3 -3 1 21.581 43.161 0.239 12.18 2 55.1 24.0
66 -3 3 2 21.876 43.751 0.242 11.81 2 50.6 19.7
67 0 4 2 22.083 44.166 0.244 11.56 2 2.5 0.0
68 -3 -3 2 22.092 44.185 0.244 11.55 2 0.4 0.0
69 -2 2 3 22.14 44.281 0.245 11.5 2 3.8 0.1
70 -3 3 0 22.196 44.392 0.245 11.43 2 8.5 0.5
71 2 -4 1 22.32 44.64 0.247 11.29 2 113.3 94.1
72 0 6 0 22.329 44.658 0.247 11.28 2 73.9 40.0
73 -1 -5 2 22.34 44.681 0.247 11.27 2 1.4 0.0
74 0 0 3 22.666 45.331 0.25 10.9 2 26.3 4.9
75 -1 -3 3 22.708 45.416 0.251 10.86 2 0.2 0.0
76 -3 -1 3 22.823 45.647 0.252 10.73 2 6.5 0.3
77 -3 1 3 22.977 45.954 0.253 10.57 2 60.9 25.5
78 0 -6 1 22.983 45.966 0.253 10.57 2 2.1 0.0
79 1 3 2 23.004 46.008 0.254 10.55 2 56.1 21.5
80 1 5 1 23.192 46.384 0.256 10.35 2 103.0 71.3
81 0 -2 3 23.276 46.551 0.257 10.27 2 4.1 0.1
82 -1 5 2 23.708 47.415 0.261 9.85 2 16.1 1.7
83 3 3 0 23.743 47.486 0.261 9.82 2 54.7 19.1
84 -1 3 3 24.176 48.351 0.266 9.42 2 10.4 0.7
85 -4 0 2 24.231 48.461 0.266 9.37 2 78.2 37.2
86 0 6 1 24.291 48.583 0.267 9.32 2 75.6 34.6
87 2 0 2 24.341 48.683 0.268 9.28 2 48.7 14.3
88 -4 0 1 24.436 48.871 0.269 9.2 2 31.6 6.0
89 3 -1 1 24.453 48.905 0.269 9.18 2 6.3 0.2
90 2 4 1 24.552 49.105 0.27 9.1 2 7.3 0.3
91 0 2 3 24.572 49.144 0.27 9.08 2 15.3 1.4
92 2 -2 2 24.806 49.612 0.272 8.89 2 51.4 15.3
93 -2 -4 3 24.949 49.898 0.274 8.77 2 27.7 4.4
94 3 1 1 25.149 50.299 0.276 8.61 2 64.3 23.1
95 -3 -3 3 25.15 50.3 0.276 8.61 2 36.6 7.5
96 -4 2 1 25.204 50.407 0.276 8.57 2 4.7 0.1
97 -4 2 2 25.212 50.423 0.276 8.56 2 94.3 49.5
98 -2 6 1 25.246 50.492 0.277 8.54 2 49.2 13.4
99 -2 6 0 25.336 50.671 0.278 8.47 2 30.8 5.2
100 -3 5 1 25.457 50.914 0.279 8.38 2 73.5 29.4
101 1 -5 2 25.54 51.081 0.28 8.32 2 19.4 2.0
102 -3 3 3 25.577 51.153 0.28 8.29 2 2.8 0.0
103 -4 -2 2 25.659 51.319 0.281 8.23 2 0.6 0.0
104 -2 -6 1 25.915 51.83 0.284 8.04 2 19.7 2.0
105 -4 -2 1 26.06 52.119 0.285 7.94 2 15.7 1.3
106 0 -6 2 26.102 52.203 0.286 7.91 2 26.2 3.5
107 3 -3 1 26.145 52.289 0.286 7.88 2 18.4 1.7
108 -2 4 3 26.149 52.299 0.286 7.88 2 55.4 15.7
109 2 2 2 26.265 52.53 0.287 7.8 2 51.0 13.2
110 0 -4 3 26.269 52.537 0.287 7.8 2 112.4 64.0
111 -4 0 3 26.476 52.951 0.289 7.66 2 110.5 60.7
112 1 -1 3 26.515 53.03 0.29 7.64 2 60.9 18.4
113 -3 5 0 26.594 53.188 0.291 7.58 2 0.6 0.0
114 -1 7 0 26.697 53.395 0.292 7.52 2 58.5 16.7
115 -3 5 2 26.715 53.431 0.292 7.51 2 7.6 0.3
116 -3 -5 1 26.787 53.574 0.293 7.46 2 9.2 0.4
117 -2 -6 2 26.994 53.988 0.295 7.33 2 52.6 13.2
118 -3 -5 2 27.026 54.053 0.295 7.31 2 28.9 4.0
119 4 0 0 27.05 54.099 0.295 7.3 2 104.8 52.1
120 -1 -5 3 27.059 54.119 0.295 7.29 2 20.4 2.0
121 2 6 0 27.203 54.406 0.297 7.2 2 16.7 1.3
122 1 1 3 27.264 54.527 0.297 7.17 2 107.0 53.2
123 -1 -7 1 27.318 54.635 0.298 7.13 2 15.3 1.1
124 -2 0 4 27.368 54.736 0.298 7.1 2 159.2 117.0
125 -2 6 2 27.534 55.069 0.3 7.01 2 7.6 0.3
126 -4 2 0 27.571 55.142 0.3 6.99 2 26.7 3.2
127 2 -4 2 27.571 55.143 0.3 6.99 2 72.8 24.1
128 -4 2 3 27.594 55.188 0.301 6.97 2 36.3 6.0
129 -4 -2 3 27.627 55.253 0.301 6.95 2 42.5 8.2
130 -1 7 1 27.631 55.262 0.301 6.95 2 73.7 24.5
131 1 7 0 27.76 55.52 0.302 6.88 2 55.0 13.5
132 2 -6 1 27.786 55.573 0.303 6.86 2 77.5 26.8
133 -2 -2 4 28.006 56.013 0.305 6.74 2 12.4 0.7
134 1 -3 3 28.03 56.059 0.305 6.73 2 4.6 0.1
135 1 -7 1 28.083 56.167 0.306 6.7 2 46.7 9.5
136 3 3 1 28.107 56.213 0.306 6.69 2 39.9 6.9
137 -4 4 1 28.222 56.444 0.307 6.63 2 57.7 14.3
138 -1 -1 4 28.264 56.528 0.307 6.6 2 41.4 7.4
139 1 5 2 28.291 56.581 0.308 6.59 2 74.1 23.5
140 -3 -1 4 28.345 56.691 0.308 6.56 2 50.3 10.8
141 -4 4 2 28.421 56.843 0.309 6.52 2 107.2 48.6
142 0 6 2 28.462 56.923 0.309 6.5 2 10.6 0.5
143 0 4 3 28.619 57.238 0.311 6.42 2 49.3 10.1
144 -3 1 4 28.668 57.335 0.311 6.39 2 31.0 4.0
145 4 2 0 28.758 57.516 0.312 6.35 2 33.1 4.5
146 3 5 0 28.844 57.688 0.313 6.31 2 20.3 1.7
147 -1 1 4 28.879 57.759 0.314 6.29 2 83.9 28.7
148 -2 2 4 28.946 57.892 0.314 6.26 2 61.5 15.4
149 -1 -7 2 29.151 58.302 0.316 6.16 2 60.5 14.6
150 -1 5 3 29.206 58.413 0.317 6.13 2 7.9 0.2
151 -4 -4 2 29.243 58.487 0.317 6.11 2 107.7 46.1
152 -3 -5 3 29.525 59.049 0.32 5.98 2 66.4 17.1
153 -4 -4 1 29.796 59.593 0.323 5.86 2 64.6 15.9
154 -1 -3 4 29.82 59.64 0.323 5.85 2 36.6 5.1
155 3 -5 1 29.937 59.875 0.324 5.8 2 64.6 15.7
156 -3 5 3 30.162 60.324 0.326 5.7 2 55.8 11.5
157 1 3 3 30.163 60.325 0.326 5.7 2 27.4 2.8
158 -3 -3 4 30.184 60.368 0.326 5.7 2 36.9 5.0
159 -4 4 0 30.245 60.491 0.327 5.67 2 10.7 0.4
160 2 4 2 30.254 60.507 0.327 5.67 2 135.2 67.3
161 -2 -6 3 30.267 60.533 0.327 5.66 2 13.7 0.7
162 1 7 1 30.413 60.826 0.329 5.6 2 31.7 3.6
163 0 8 0 30.436 60.871 0.329 5.59 2 52.2 9.9
164 3 -1 2 30.565 61.13 0.33 5.54 2 23.6 2.0
165 2 6 1 30.655 61.309 0.331 5.5 2 34.5 4.3
166 -5 1 2 30.663 61.327 0.331 5.5 2 69.1 17.1
167 -1 7 2 30.744 61.488 0.332 5.47 2 43.5 6.7
168 -2 -4 4 30.771 61.541 0.332 5.46 2 11.1 0.4
169 0 -8 1 30.783 61.567 0.332 5.45 2 76.8 20.9
170 -4 0 4 30.792 61.584 0.332 5.45 2 40.8 5.9
171 -4 4 3 30.816 61.632 0.333 5.44 2 16.6 1.0
172 -4 -4 3 30.877 61.755 0.333 5.41 2 30.9 3.4
173 0 0 4 30.918 61.835 0.334 5.4 2 6.5 0.1
174 -5 -1 2 31.001 62.002 0.334 5.37 2 18.1 1.1
175 -3 3 4 31.108 62.216 0.335 5.33 2 9.2 0.3
176 0 -6 3 31.157 62.313 0.336 5.31 2 8.0 0.2
177 0 -2 4 31.232 62.464 0.337 5.28 2 23.6 1.9
178 3 1 2 31.348 62.696 0.338 5.24 2 23.5 1.9
179 -1 3 4 31.587 63.175 0.34 5.15 2 18.5 1.1
180 1 -7 2 31.588 63.176 0.34 5.15 2 65.9 14.5
181 -5 1 1 31.591 63.183 0.34 5.15 2 91.5 28.0
182 1 -5 3 31.593 63.185 0.34 5.15 2 72.9 17.7
183 4 0 1 31.66 63.32 0.341 5.12 2 57.8 11.1
184 -4 -2 4 31.663 63.326 0.341 5.12 2 9.0 0.3
185 -3 7 1 31.776 63.553 0.342 5.08 2 6.5 0.1
186 2 0 3 31.851 63.701 0.343 5.06 2 64.1 13.5
187 -2 6 3 31.852 63.704 0.343 5.06 2 10.8 0.4
188 3 -3 2 31.859 63.718 0.343 5.05 2 25.3 2.1
189 -5 1 3 31.869 63.738 0.343 5.05 2 46.2 7.0
190 4 -2 1 31.955 63.911 0.344 5.02 2 5.1 0.1
191 -4 2 4 31.99 63.981 0.344 5.01 2 101.1 33.2
192 -5 -1 3 32.021 64.043 0.344 5.0 2 27.7 2.5
193 2 -2 3 32.064 64.128 0.345 4.98 2 64.5 13.5
194 -5 -1 1 32.102 64.203 0.345 4.97 2 6.2 0.1
195 0 8 1 32.222 64.443 0.346 4.93 2 20.2 1.3
196 2 -6 2 32.236 64.472 0.346 4.93 2 38.0 4.6
197 -5 3 2 32.392 64.784 0.348 4.88 2 1.1 0.0
198 4 4 0 32.469 64.939 0.348 4.85 2 42.5 5.7
199 -2 4 4 32.534 65.067 0.349 4.83 2 39.6 4.9
200 -3 7 0 32.593 65.187 0.35 4.81 2 0.1 0.0
201 -2 8 0 32.65 65.301 0.35 4.79 2 103.5 33.3
202 0 2 4 32.659 65.319 0.35 4.79 2 58.9 10.8
203 -2 8 1 32.751 65.501 0.351 4.76 2 16.7 0.9
204 3 5 1 32.92 65.841 0.353 4.71 2 15.9 0.8
205 -1 -7 3 33.02 66.039 0.354 4.68 2 60.4 11.1
206 -3 7 2 33.052 66.104 0.354 4.67 2 2.2 0.0
207 -4 6 1 33.085 66.17 0.354 4.66 2 126.3 48.3
208 -5 3 1 33.118 66.237 0.355 4.65 2 5.0 0.1
209 0 -8 2 33.226 66.453 0.356 4.62 2 105.8 33.6
210 -1 -5 4 33.361 66.723 0.357 4.58 2 2.3 0.0
211 -5 -3 2 33.37 66.739 0.357 4.58 2 88.3 23.2
212 4 2 1 33.395 66.79 0.357 4.57 2 2.5 0.0
213 -3 -7 1 33.399 66.798 0.357 4.57 2 49.5 7.3
214 -3 -7 2 33.435 66.869 0.358 4.56 2 15.2 0.7
215 -4 6 2 33.441 66.883 0.358 4.55 2 35.6 3.7
216 -2 -8 1 33.509 67.019 0.358 4.53 2 82.5 20.1
217 0 -4 4 33.571 67.143 0.359 4.52 2 18.7 1.0
218 2 2 3 33.66 67.321 0.36 4.49 2 29.5 2.5
219 -5 3 3 33.737 67.473 0.361 4.47 2 27.8 2.2
220 -3 -5 4 33.971 67.941 0.363 4.41 2 6.0 0.1
221 3 3 2 34.129 68.257 0.364 4.36 2 49.5 6.9
222 -5 -3 3 34.18 68.36 0.365 4.35 2 90.8 23.3
223 4 -4 1 34.254 68.508 0.365 4.33 2 7.4 0.2
224 -2 -8 2 34.266 68.532 0.365 4.33 2 45.4 5.8
225 2 -4 3 34.28 68.56 0.366 4.32 2 110.6 34.3
226 0 6 3 34.327 68.654 0.366 4.31 2 106.5 31.8
227 -4 -4 4 34.517 69.035 0.368 4.26 2 16.0 0.7
228 -5 1 0 34.558 69.116 0.368 4.25 2 9.8 0.3
229 -4 -6 2 34.565 69.13 0.368 4.25 2 0.4 0.0
230 -5 -3 1 34.601 69.202 0.369 4.24 2 58.3 9.4
231 2 -8 1 34.602 69.204 0.369 4.24 2 61.3 10.3
232 -4 6 0 34.774 69.548 0.37 4.2 2 28.0 2.1
233 2 8 0 34.791 69.581 0.37 4.2 2 45.3 5.6
234 1 -1 4 34.845 69.689 0.371 4.18 2 80.6 17.6
235 1 5 3 34.888 69.776 0.371 4.17 2 53.4 7.7
236 -2 8 2 34.894 69.788 0.371 4.17 2 34.1 3.2
237 -1 9 0 34.94 69.88 0.372 4.16 2 53.2 7.6
238 1 7 2 34.976 69.953 0.372 4.15 2 60.2 9.8
239 -5 -1 4 35.063 70.125 0.373 4.13 2 56.0 8.4
240 -5 1 4 35.087 70.175 0.373 4.12 2 5.7 0.1
241 3 -5 2 35.104 70.208 0.373 4.12 2 27.6 2.0
242 -4 4 4 35.143 70.286 0.374 4.11 2 27.3 2.0
243 5 1 0 35.216 70.432 0.374 4.09 2 37.2 3.7
244 -4 -6 1 35.241 70.482 0.375 4.09 2 33.4 3.0
245 -3 -1 5 35.267 70.535 0.375 4.08 2 31.1 2.6
246 -2 0 5 35.289 70.577 0.375 4.08 2 12.7 0.4
247 -2 -6 4 35.369 70.738 0.376 4.06 2 61.4 9.9
248 3 7 0 35.392 70.784 0.376 4.05 2 44.2 5.1
249 -3 5 4 35.414 70.828 0.376 4.05 2 39.6 4.1
250 3 -7 1 35.428 70.855 0.376 4.05 2 1.6 0.0
251 -3 -7 3 35.497 70.993 0.377 4.03 2 28.0 2.1
252 -1 -9 1 35.564 71.128 0.378 4.01 2 95.3 23.7
253 1 1 4 35.655 71.311 0.378 3.99 2 23.8 1.5
254 -2 -2 5 35.675 71.35 0.379 3.99 2 27.3 1.9
255 -1 7 3 35.703 71.405 0.379 3.98 2 18.1 0.8
256 -3 1 5 35.723 71.445 0.379 3.98 2 74.4 14.3
257 -4 6 3 35.813 71.626 0.38 3.96 2 122.2 38.4
258 -5 3 0 35.853 71.707 0.38 3.95 2 8.2 0.2
259 -4 -6 3 35.898 71.796 0.381 3.94 2 64.5 10.7
260 2 6 2 35.906 71.813 0.381 3.94 2 27.3 1.9
261 -1 9 1 35.912 71.825 0.381 3.94 2 54.8 7.7
262 1 -9 1 35.969 71.937 0.381 3.93 2 46.1 5.4
263 0 8 2 35.969 71.938 0.381 3.93 2 16.5 0.7
264 1 -3 4 35.981 71.963 0.381 3.92 2 107.0 29.2
265 -5 5 2 36.028 72.055 0.382 3.91 2 79.6 16.1
266 1 9 0 36.115 72.23 0.383 3.9 2 94.6 22.6
267 -1 5 4 36.124 72.247 0.383 3.89 2 49.6 6.2
268 0 4 4 36.302 72.604 0.384 3.86 2 20.9 1.1
269 -3 7 3 36.307 72.615 0.384 3.86 2 2.6 0.0
270 -5 5 1 36.553 73.105 0.387 3.81 2 23.4 1.4
271 -3 -3 5 36.747 73.495 0.388 3.77 2 7.3 0.1
272 -1 -1 5 36.767 73.535 0.389 3.76 2 26.3 1.7
273 -4 0 5 36.773 73.546 0.389 3.76 2 95.0 22.1
274 -2 2 5 36.836 73.673 0.389 3.75 2 16.5 0.7
275 1 -7 3 36.878 73.756 0.39 3.74 2 23.3 1.3
276 -5 -3 4 36.971 73.941 0.39 3.73 2 108.6 28.5
277 -1 -9 2 36.998 73.996 0.391 3.72 2 95.0 21.8
278 -2 -8 3 37.003 74.006 0.391 3.72 2 60.2 8.8
279 4 4 1 37.018 74.036 0.391 3.72 2 87.3 18.4
280 -5 3 4 37.043 74.086 0.391 3.71 2 17.2 0.7
281 2 4 3 37.348 74.695 0.394 3.66 2 62.3 9.2
282 -4 -2 5 37.409 74.818 0.394 3.65 2 96.2 21.9
283 -1 1 5 37.471 74.943 0.395 3.63 2 54.5 7.0
284 -5 5 3 37.477 74.955 0.395 3.63 2 57.0 7.7
285 0 -8 3 37.558 75.115 0.396 3.62 2 83.0 16.2
286 -5 -5 2 37.577 75.153 0.396 3.62 2 15.6 0.6
287 -6 0 2 37.747 75.495 0.397 3.59 2 92.8 20.1
288 0 -6 4 37.749 75.498 0.397 3.59 2 7.9 0.1
289 5 3 0 37.784 75.569 0.398 3.58 2 50.9 6.0
290 -2 6 4 37.837 75.675 0.398 3.57 2 18.3 0.8
291 4 6 0 37.881 75.761 0.399 3.56 2 62.2 9.0
292 4 0 2 37.89 75.78 0.399 3.56 2 114.2 30.2
293 -1 -3 5 37.97 75.941 0.399 3.55 2 89.4 18.4
294 -2 -4 5 37.971 75.942 0.399 3.55 2 79.2 14.5
295 3 -1 3 37.987 75.975 0.4 3.55 2 69.0 11.0
296 -6 0 3 37.997 75.994 0.4 3.54 2 37.3 3.2
297 4 -2 2 37.998 75.996 0.4 3.54 2 39.5 3.6
298 2 8 1 38.017 76.035 0.4 3.54 2 103.6 24.7
299 -4 2 5 38.043 76.087 0.4 3.54 2 29.6 2.0
300 -3 3 5 38.085 76.171 0.4 3.53 2 16.7 0.6
301 -5 -5 3 38.184 76.368 0.401 3.51 2 6.2 0.1
302 -6 2 2 38.261 76.522 0.402 3.5 2 24.4 1.4
303 2 -6 3 38.335 76.671 0.403 3.49 2 26.9 1.6
304 1 3 4 38.363 76.726 0.403 3.49 2 16.1 0.6
305 4 -6 1 38.386 76.772 0.403 3.48 2 25.2 1.4
306 2 -8 2 38.463 76.925 0.404 3.47 2 43.1 4.2
307 1 9 1 38.618 77.236 0.405 3.45 2 62.7 8.8
308 -1 -7 4 38.623 77.245 0.405 3.45 2 26.7 1.6
309 -6 2 3 38.674 77.347 0.406 3.44 2 42.7 4.1
310 3 5 2 38.704 77.407 0.406 3.43 2 56.9 7.2
311 -1 9 2 38.826 77.651 0.407 3.41 2 19.5 0.8
312 3 1 3 38.861 77.723 0.407 3.41 2 45.9 4.7
313 -5 -5 1 38.916 77.831 0.408 3.4 2 1.1 0.0
314 -2 8 3 38.929 77.859 0.408 3.4 2 25.7 1.5
315 1 -9 2 38.935 77.87 0.408 3.4 2 34.7 2.7
316 1 -5 4 38.997 77.995 0.408 3.39 2 52.9 6.2
317 3 -3 3 39.0 78.0 0.409 3.39 2 23.1 1.2
318 -5 5 0 39.023 78.046 0.409 3.39 2 76.8 13.0
319 -6 -2 2 39.123 78.246 0.41 3.37 2 76.9 13.0
320 -4 -6 4 39.157 78.314 0.41 3.37 2 14.3 0.4
321 -6 -2 3 39.206 78.413 0.41 3.36 2 18.4 0.7
322 3 7 1 39.282 78.563 0.411 3.35 2 76.5 12.7
323 0 10 0 39.288 78.575 0.411 3.35 2 38.6 3.2
324 -3 9 1 39.345 78.691 0.412 3.34 2 20.6 0.9
325 5 -1 1 39.354 78.708 0.412 3.34 2 39.3 3.3
326 0 -10 1 39.435 78.87 0.412 3.33 2 9.5 0.2
327 -6 0 1 39.439 78.877 0.412 3.33 2 33.8 2.5
328 -3 -7 4 39.45 78.9 0.412 3.33 2 12.6 0.3
329 -4 8 1 39.49 78.981 0.413 3.32 2 99.8 21.5
330 4 2 2 39.665 79.33 0.414 3.3 2 47.0 4.7
331 -6 2 1 39.783 79.565 0.415 3.28 2 12.2 0.3
332 -4 -4 5 39.921 79.842 0.417 3.26 2 85.8 15.6
333 -5 -1 5 39.925 79.85 0.417 3.26 2 13.2 0.4
334 -3 9 0 39.932 79.864 0.417 3.26 2 1.3 0.0
335 0 0 5 39.96 79.92 0.417 3.26 2 45.1 4.3
336 4 -4 2 39.984 79.968 0.417 3.26 2 61.3 8.0
337 -4 8 2 39.986 79.971 0.417 3.26 2 61.3 7.9
338 -1 3 5 40.048 80.097 0.418 3.25 2 60.9 7.8
339 -4 6 4 40.053 80.107 0.418 3.25 2 15.4 0.5
340 0 -2 5 40.08 80.16 0.418 3.24 2 62.6 8.3
341 -3 -5 5 40.082 80.165 0.418 3.24 2 34.0 2.4
342 3 -7 2 40.099 80.197 0.418 3.24 2 9.8 0.2
343 -5 1 5 40.111 80.222 0.418 3.24 2 31.7 2.1
344 5 1 1 40.145 80.29 0.418 3.24 2 2.1 0.0
345 -6 0 4 40.176 80.353 0.419 3.23 2 36.5 2.8
346 -2 4 5 40.235 80.47 0.419 3.23 2 1.1 0.0
347 -1 -9 3 40.34 80.679 0.42 3.21 2 49.0 5.0
348 2 0 4 40.4 80.801 0.421 3.21 2 59.6 7.4
349 5 -3 1 40.431 80.862 0.421 3.2 2 6.0 0.1
350 2 -2 4 40.432 80.864 0.421 3.2 2 12.7 0.3
351 -6 4 2 40.642 81.284 0.423 3.18 2 59.3 7.2
352 -3 9 2 40.68 81.36 0.423 3.17 2 89.1 16.4
353 -5 -5 4 40.712 81.424 0.423 3.17 2 2.3 0.0
354 -5 5 4 40.829 81.658 0.424 3.16 2 27.5 1.6
355 -4 8 0 40.914 81.829 0.425 3.15 2 24.5 1.2
356 -6 -2 1 40.96 81.92 0.426 3.14 2 29.5 1.8
357 -6 2 4 41.005 82.009 0.426 3.14 2 16.4 0.5
358 -1 -5 5 41.026 82.053 0.426 3.14 2 6.5 0.1
359 -2 10 0 41.04 82.08 0.426 3.13 2 38.6 3.0
360 0 10 1 41.059 82.119 0.426 3.13 2 41.2 3.5
361 -3 -9 2 41.136 82.272 0.427 3.12 2 44.7 4.1
362 -4 4 5 41.164 82.327 0.427 3.12 2 53.8 5.9
363 1 7 3 41.203 82.407 0.428 3.12 2 32.0 2.1
364 -6 -2 4 41.207 82.414 0.428 3.12 2 7.3 0.1
365 -6 4 3 41.21 82.42 0.428 3.12 2 21.3 0.9
366 -3 -9 1 41.265 82.529 0.428 3.11 2 12.6 0.3
367 -2 10 1 41.294 82.587 0.428 3.11 2 19.0 0.7
368 -3 7 4 41.366 82.732 0.429 3.1 2 9.3 0.2
369 -5 7 2 41.38 82.761 0.429 3.1 2 39.1 3.1
370 -4 -8 2 41.391 82.782 0.429 3.1 2 85.7 14.8
371 0 8 3 41.477 82.953 0.43 3.09 2 58.1 6.8
372 0 -10 2 41.496 82.993 0.43 3.09 2 2.6 0.0
373 -2 -8 4 41.58 83.161 0.431 3.08 2 43.8 3.8
374 3 3 3 41.589 83.178 0.431 3.08 2 49.9 5.0
375 -5 -3 5 41.598 83.196 0.431 3.08 2 85.7 14.7
376 0 6 4 41.663 83.326 0.431 3.07 2 5.9 0.1
377 0 2 5 41.699 83.397 0.432 3.07 2 39.7 3.1
378 -5 7 1 41.724 83.447 0.432 3.06 2 43.2 3.7
379 3 -5 3 41.862 83.725 0.433 3.05 2 43.0 3.7
380 -6 4 1 41.982 83.964 0.434 3.04 2 106.2 22.3
381 0 -4 5 42.055 84.11 0.435 3.03 2 54.4 5.8
382 -2 -6 5 42.077 84.154 0.435 3.03 2 6.4 0.1
383 5 5 0 42.149 84.298 0.436 3.02 2 0.8 0.0
384 -5 3 5 42.151 84.303 0.436 3.02 2 58.5 6.7
385 -2 -10 1 42.168 84.335 0.436 3.02 2 39.1 3.0
386 -4 -8 1 42.191 84.381 0.436 3.02 2 26.0 1.3
387 2 2 4 42.222 84.445 0.436 3.02 2 9.0 0.2
388 -3 5 5 42.254 84.508 0.436 3.02 2 117.2 26.9
389 -6 -4 3 42.259 84.518 0.437 3.01 2 98.0 18.8
390 -1 7 4 42.292 84.583 0.437 3.01 2 32.5 2.1
391 2 -4 4 42.316 84.633 0.437 3.01 2 29.5 1.7
392 -6 -4 2 42.338 84.676 0.437 3.01 2 36.9 2.7
393 4 6 1 42.366 84.732 0.437 3.01 2 24.3 1.1
394 -4 8 3 42.385 84.77 0.438 3.0 2 65.0 8.2
395 3 -9 1 42.422 84.844 0.438 3.0 2 35.3 2.4
396 -4 -8 3 42.493 84.987 0.438 2.99 2 52.5 5.4
397 2 -10 1 42.69 85.379 0.44 2.98 2 15.3 0.5
398 -2 -10 2 42.71 85.42 0.44 2.98 2 35.0 2.4
399 2 6 3 42.758 85.517 0.441 2.97 2 9.1 0.2
400 5 3 1 42.781 85.563 0.441 2.97 2 4.7 0.0
401 1 5 4 42.86 85.721 0.442 2.96 2 29.4 1.7
402 -3 -9 3 42.91 85.819 0.442 2.96 2 36.2 2.5
403 -5 7 3 42.938 85.877 0.442 2.96 2 34.7 2.3
404 1 9 2 42.973 85.946 0.442 2.96 2 45.3 3.9
405 6 0 0 43.011 86.023 0.443 2.95 2 92.1 16.3
406 2 8 2 43.057 86.113 0.443 2.95 2 87.5 14.7
407 -6 2 0 43.19 86.379 0.444 2.94 2 26.4 1.3
408 4 4 2 43.266 86.532 0.445 2.93 2 32.4 2.0
409 3 9 0 43.292 86.584 0.445 2.93 2 7.0 0.1
410 5 -5 1 43.348 86.695 0.446 2.93 2 2.2 0.0
411 -2 10 2 43.445 86.89 0.446 2.92 2 23.3 1.0
412 -5 -7 2 43.469 86.939 0.447 2.92 2 34.0 2.2
413 2 10 0 43.522 87.044 0.447 2.92 2 14.4 0.4
414 -3 -1 6 43.529 87.059 0.447 2.92 2 1.7 0.0
415 -1 9 3 43.573 87.146 0.447 2.91 2 77.8 11.4
416 0 -8 4 43.617 87.235 0.448 2.91 2 92.7 16.3
417 -6 4 4 43.674 87.347 0.448 2.91 2 12.7 0.3
418 1 -9 3 43.733 87.466 0.449 2.9 2 24.5 1.1
419 4 -6 2 43.79 87.579 0.449 2.9 2 4.6 0.0
420 1 -7 4 43.79 87.58 0.449 2.9 2 81.1 12.4
421 -5 -7 3 43.899 87.797 0.45 2.89 2 68.2 8.7
422 -3 9 3 43.901 87.803 0.45 2.89 2 22.3 0.9
423 -5 7 0 43.962 87.924 0.451 2.89 2 21.6 0.9
424 -6 -4 4 44.075 88.15 0.452 2.88 2 23.0 1.0
425 2 -8 3 44.1 88.2 0.452 2.88 2 50.3 4.7
426 -3 1 6 44.12 88.241 0.452 2.88 2 130.0 31.6
427 -1 11 0 44.211 88.422 0.453 2.87 2 18.3 0.6
428 -6 0 5 44.222 88.445 0.453 2.87 2 48.5 4.4
429 4 -8 1 44.223 88.446 0.453 2.87 2 71.2 9.5
430 1 -1 5 44.232 88.463 0.453 2.87 2 44.7 3.7
431 -4 -6 5 44.235 88.471 0.453 2.87 2 57.2 6.1
432 -4 0 6 44.295 88.589 0.453 2.87 2 11.3 0.2
433 -6 -4 1 44.311 88.621 0.453 2.87 2 24.8 1.1
434 -2 0 6 44.378 88.755 0.454 2.86 2 15.2 0.4
435 -1 5 5 44.426 88.852 0.454 2.86 2 70.0 9.1
436 -2 -2 6 44.582 89.165 0.456 2.85 2 14.8 0.4
437 6 2 0 44.673 89.346 0.456 2.85 2 104.8 20.3
438 0 10 2 44.709 89.417 0.457 2.84 2 69.6 8.9
439 -2 8 4 44.738 89.476 0.457 2.84 2 67.2 8.3
440 -4 -2 6 44.747 89.493 0.457 2.84 2 3.3 0.0
441 -3 -3 6 44.777 89.555 0.457 2.84 2 33.6 2.1
442 -6 6 2 44.833 89.666 0.458 2.84 2 59.2 6.5
443 4 8 0 44.88 89.761 0.458 2.83 2 29.7 1.6
444 -1 -11 1 44.887 89.773 0.458 2.83 2 48.9 4.4
445 -5 -7 1 44.932 89.864 0.458 2.83 2 17.0 0.5
446 3 7 2 44.959 89.917 0.459 2.83 2 1.1 0.0
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 -1 1 0 7.234 14.468 6.11692 45.7 7.8 7.9 5.6
2 0 2 0 7.276 14.551 6.0823 31.1 5.3 5.4 5.6
3 0 0 1 7.38 14.76 5.99668 12.1 2.1 2.1 5.6
4 -1 -1 1 8.144 16.288 5.43738 75.8 13.0 13.0 5.6
5 -2 0 1 11.842 23.683 3.75369 584.6 100.0 100.0 5.6
6 1 -1 1 12.109 24.218 3.67194 88.6 15.2 15.2 5.6
7 -1 3 0 12.354 24.709 3.60012 204.6 35.0 35.0 5.6
8 1 1 1 12.783 25.566 3.48132 228.6 39.1 39.0 5.6
9 -1 -3 1 13.117 26.235 3.39408 59.3 10.1 10.1 5.6
10 1 3 0 13.213 26.426 3.36996 31.5 5.4 5.4 5.6
11 -1 -1 2 13.579 27.158 3.2808 27.3 4.7 4.7 5.6
12 -1 1 2 14.004 28.008 3.1831 258.0 44.1 44.0 5.6
13 -2 -2 1 14.138 28.276 3.15351 70.4 12.0 12.0 5.6
14 -2 2 0 14.587 29.174 3.05846 247.9 42.4 42.2 5.6
15 0 4 0 14.672 29.344 3.04115 211.5 36.2 36.0 5.6
16 -2 0 2 14.831 29.661 3.00936 294.8 50.4 50.2 5.6
17 0 0 2 14.886 29.773 2.99834 484.1 82.8 82.4 5.6
18 1 -3 1 15.468 30.936 2.88815 48.3 8.3 8.2 5.6
19 2 2 0 15.571 31.141 2.86964 113.5 19.4 19.3 5.6
20 0 -4 1 15.901 31.802 2.8115 385.5 65.9 65.5 5.6
21 0 -2 2 16.051 32.101 2.78594 41.7 7.1 7.1 5.6
22 -2 -2 2 16.459 32.918 2.71869 34.9 6.0 5.9 5.6
23 -2 2 2 16.727 33.454 2.67634 8.3 1.4 1.4 5.7
24 -1 -3 2 16.823 33.647 2.66145 30.1 5.2 5.1 5.7
25 1 3 1 17.051 34.103 2.62687 158.9 27.2 26.9 5.7
26 -1 3 2 17.861 35.722 2.51141 35.1 6.0 5.9 5.7
27 -3 -1 1 18.391 36.781 2.44151 22.0 3.8 3.7 5.7
28 -2 4 1 18.741 37.483 2.3974 168.2 28.8 28.4 5.7
29 1 -1 2 18.922 37.843 2.37541 40.4 6.9 6.8 5.7
30 -2 4 0 19.115 38.23 2.35225 16.5 2.8 2.8 5.7
31 -1 5 0 19.165 38.33 2.34631 32.0 5.5 5.4 5.7
32 -3 -1 2 19.232 38.464 2.33849 36.6 6.3 6.2 5.7
33 -2 -4 1 19.305 38.61 2.32997 201.5 34.5 34.0 5.7
34 1 1 2 19.634 39.267 2.29246 6.2 1.1 1.1 5.7
35 -1 -5 1 19.825 39.649 2.27125 34.5 5.9 5.8 5.7
36 2 2 1 20.041 40.082 2.24772 15.5 2.7 2.6 5.7
37 1 5 0 20.14 40.28 2.23712 5.9 1.0 1.0 5.7
38 -1 -1 3 20.546 41.093 2.19473 25.5 4.4 4.3 5.7
39 3 1 0 20.581 41.162 2.19123 10.0 1.7 1.7 5.7
40 2 4 0 20.66 41.319 2.18325 82.1 14.0 13.8 5.7
41 -1 1 3 21.084 42.168 2.14124 27.4 4.7 4.6 5.7
42 -2 -2 3 21.463 42.926 2.10515 16.0 2.7 2.7 5.7
43 -3 -3 1 21.581 43.161 2.09424 24.0 4.1 4.0 5.7
44 -3 3 2 21.876 43.751 2.06735 19.7 3.4 3.3 5.7
45 2 -4 1 22.32 44.64 2.02822 134.2 22.9 22.5 5.7
46 -3 1 3 22.977 45.954 1.97325 47.0 8.0 7.9 5.7
47 1 5 1 23.192 46.384 1.95595 71.3 12.2 11.9 5.7
48 3 3 0 23.743 47.486 1.91309 19.1 3.3 3.2 5.7
49 -4 0 2 24.231 48.461 1.87684 37.2 6.4 6.2 5.7
50 0 6 1 24.291 48.583 1.87244 34.6 5.9 5.8 5.7
51 2 0 2 24.341 48.683 1.86883 14.3 2.4 2.4 5.7
52 -4 0 1 24.436 48.871 1.86206 6.2 1.1 1.0 5.7
53 2 -2 2 24.806 49.612 1.83597 15.3 2.6 2.5 5.7
54 3 1 1 25.149 50.299 1.81251 30.6 5.2 5.1 5.8
55 -4 2 2 25.212 50.423 1.80832 49.5 8.5 8.2 5.8
56 -2 6 1 25.246 50.492 1.80602 13.4 2.3 2.2 5.8
57 -3 5 1 25.457 50.914 1.79206 29.4 5.0 4.9 5.8
58 -2 4 3 26.149 52.299 1.7478 17.4 3.0 2.9 5.8
59 0 -4 3 26.269 52.537 1.74043 77.1 13.2 12.8 5.8
60 -4 0 3 26.476 52.951 1.7278 60.7 10.4 10.1 5.8
61 1 -1 3 26.515 53.03 1.72542 18.4 3.1 3.1 5.8
62 -1 7 0 26.697 53.395 1.71448 17.0 2.9 2.8 5.8
63 -2 -6 2 26.994 53.988 1.69704 13.2 2.3 2.2 5.8
64 4 0 0 27.05 54.099 1.69381 58.0 9.9 9.6 5.8
65 1 1 3 27.264 54.527 1.68152 53.2 9.1 8.8 5.8
66 -2 0 4 27.368 54.736 1.6756 117.0 20.0 19.4 5.8
67 -4 2 3 27.594 55.188 1.66295 33.3 5.7 5.5 5.8
68 -1 7 1 27.631 55.262 1.66088 32.7 5.6 5.4 5.8
69 2 -6 1 27.786 55.573 1.65234 40.3 6.9 6.7 5.8
70 1 -7 1 28.083 56.167 1.63626 16.4 2.8 2.7 5.8
71 -4 4 1 28.222 56.444 1.62888 14.3 2.5 2.4 5.8
72 1 5 2 28.291 56.581 1.62525 30.9 5.3 5.1 5.8
73 -3 -1 4 28.345 56.691 1.62237 10.8 1.8 1.8 5.8
74 -4 4 2 28.421 56.843 1.6184 48.6 8.3 8.0 5.8
75 0 4 3 28.619 57.238 1.60816 10.1 1.7 1.7 5.8
76 -1 1 4 28.879 57.759 1.59489 28.7 4.9 4.7 5.8
77 -2 2 4 28.946 57.892 1.59155 15.4 2.6 2.5 5.8
78 -1 -7 2 29.151 58.302 1.58132 14.6 2.5 2.4 5.8
79 -4 -4 2 29.243 58.487 1.57676 46.1 7.9 7.6 5.8
80 -3 -5 3 29.525 59.049 1.56307 17.1 2.9 2.8 5.8
81 -4 -4 1 29.796 59.593 1.55011 21.0 3.6 3.5 5.8
82 3 -5 1 29.937 59.875 1.54349 15.7 2.7 2.6 5.8
83 -3 5 3 30.162 60.324 1.53306 19.4 3.3 3.2 5.8
84 2 4 2 30.254 60.507 1.52885 68.0 11.6 11.2 5.8
85 0 8 0 30.436 60.871 1.52058 13.5 2.3 2.2 5.8
86 -5 1 2 30.663 61.327 1.51037 21.3 3.6 3.5 5.8
87 -1 7 2 30.744 61.488 1.5068 7.1 1.2 1.2 5.8
88 0 -8 1 30.783 61.567 1.50506 26.8 4.6 4.4 5.8
89 1 -5 3 31.593 63.185 1.47035 61.4 10.5 10.1 5.9
90 4 0 1 31.66 63.32 1.46755 11.4 1.9 1.9 5.9
91 2 0 3 31.851 63.701 1.45967 23.0 3.9 3.8 5.9
92 -4 2 4 31.99 63.981 1.45397 33.2 5.7 5.4 5.9
93 2 -2 3 32.064 64.128 1.45099 13.5 2.3 2.2 5.9
94 2 -6 2 32.236 64.472 1.44407 5.9 1.0 1.0 5.9
95 -2 8 0 32.65 65.301 1.42774 44.1 7.5 7.2 5.9
96 -1 -7 3 33.02 66.039 1.41355 11.1 1.9 1.8 5.9
97 -4 6 1 33.085 66.17 1.41107 48.3 8.3 7.9 5.9
98 0 -8 2 33.226 66.453 1.40575 33.6 5.7 5.5 5.9
99 -5 -3 2 33.37 66.739 1.40041 30.5 5.2 5.0 5.9
100 -2 -8 1 33.509 67.019 1.39525 20.1 3.4 3.3 5.9
101 3 3 2 34.129 68.257 1.37292 6.9 1.2 1.1 5.9
102 -5 -3 3 34.18 68.36 1.3711 23.3 4.0 3.8 5.9
103 2 -4 3 34.28 68.56 1.3676 40.1 6.9 6.5 5.9
104 0 6 3 34.327 68.654 1.36594 31.8 5.4 5.2 5.9
105 2 -8 1 34.602 69.204 1.35643 19.7 3.4 3.2 5.9
106 2 8 0 34.791 69.581 1.35 7.7 1.3 1.3 5.9
107 1 -1 4 34.845 69.689 1.34817 17.6 3.0 2.9 5.9
108 1 5 3 34.888 69.776 1.3467 10.9 1.9 1.8 5.9
109 -1 9 0 34.94 69.88 1.34496 7.6 1.3 1.2 5.9
110 1 7 2 34.976 69.953 1.34374 9.8 1.7 1.6 5.9
111 -5 -1 4 35.063 70.125 1.34085 8.5 1.5 1.4 5.9
112 5 1 0 35.216 70.432 1.33576 6.6 1.1 1.1 5.9
113 -2 -6 4 35.369 70.738 1.33072 15.1 2.6 2.4 5.9
114 -1 -9 1 35.564 71.128 1.32438 23.7 4.1 3.8 5.9
115 -3 1 5 35.723 71.445 1.31928 14.3 2.5 2.3 5.9
116 -4 6 3 35.813 71.626 1.3164 38.4 6.6 6.2 5.9
117 -4 -6 3 35.898 71.796 1.31369 20.3 3.5 3.3 5.9
118 1 -3 4 35.981 71.963 1.31106 35.3 6.0 5.7 5.9
119 -5 5 2 36.028 72.055 1.30961 16.1 2.8 2.6 5.9
120 1 9 0 36.115 72.23 1.30687 28.9 4.9 4.7 5.9
121 -4 0 5 36.773 73.546 1.2867 23.8 4.1 3.8 6.0
122 -5 -3 4 36.971 73.941 1.2808 50.3 8.6 8.1 6.0
123 4 4 1 37.018 74.036 1.2794 27.2 4.6 4.4 6.0
124 2 4 3 37.348 74.695 1.26972 9.2 1.6 1.5 6.0
125 -4 -2 5 37.409 74.818 1.26794 21.9 3.7 3.5 6.0
126 -5 5 3 37.477 74.955 1.26598 14.7 2.5 2.4 6.0
127 0 -8 3 37.558 75.115 1.26367 16.7 2.9 2.7 6.0
128 -6 0 2 37.747 75.495 1.25826 20.2 3.5 3.2 6.0
129 5 3 0 37.784 75.569 1.25721 6.0 1.0 1.0 6.0
130 4 0 2 37.89 75.78 1.25423 39.2 6.7 6.3 6.0
131 -1 -3 5 37.97 75.941 1.25197 50.7 8.7 8.1 6.0
132 2 8 1 38.017 76.035 1.25065 26.7 4.6 4.3 6.0
133 1 9 1 38.618 77.236 1.23418 10.4 1.8 1.7 6.0
134 3 5 2 38.704 77.407 1.23187 11.3 1.9 1.8 6.0
135 -5 5 0 39.023 78.046 1.22338 20.3 3.5 3.2 6.0
136 -6 -2 2 39.123 78.246 1.22075 13.0 2.2 2.1 6.0
137 3 7 1 39.282 78.563 1.21662 16.0 2.7 2.5 6.0
138 -4 8 1 39.49 78.981 1.21123 21.5 3.7 3.4 6.0
139 -4 -4 5 39.921 79.842 1.20032 16.0 2.7 2.5 6.0
140 -4 8 2 39.986 79.971 1.1987 20.2 3.5 3.2 6.0
141 -1 3 5 40.048 80.097 1.19714 8.3 1.4 1.3 6.0
142 0 -2 5 40.08 80.16 1.19635 10.9 1.9 1.7 6.0
143 2 0 4 40.4 80.801 1.18847 7.4 1.3 1.2 6.1
144 -6 4 2 40.642 81.284 1.18262 7.2 1.2 1.1 6.1
145 -3 9 2 40.68 81.36 1.18171 16.4 2.8 2.6 6.1
146 0 10 1 41.059 82.119 1.17271 6.5 1.1 1.0 6.1
147 -4 4 5 41.164 82.327 1.17026 9.9 1.7 1.6 6.1
148 -4 -8 2 41.391 82.782 1.16499 17.8 3.1 2.8 6.1
149 0 8 3 41.477 82.953 1.16301 6.8 1.2 1.1 6.1
150 -5 -3 5 41.598 83.196 1.16024 23.5 4.0 3.7 6.1
151 -5 7 1 41.724 83.447 1.15738 6.8 1.2 1.1 6.1
152 -6 4 1 41.982 83.964 1.15157 22.3 3.8 3.5 6.1
153 0 -4 5 42.055 84.11 1.14994 5.9 1.0 0.9 6.1
154 -5 3 5 42.151 84.303 1.1478 9.7 1.7 1.5 6.1
155 -3 5 5 42.254 84.508 1.14553 45.7 7.8 7.2 6.1
156 -4 8 3 42.385 84.77 1.14266 8.2 1.4 1.3 6.1
157 6 0 0 43.011 86.023 1.12921 16.3 2.8 2.5 6.1
158 2 8 2 43.057 86.113 1.12825 14.7 2.5 2.3 6.1
159 -1 9 3 43.573 87.146 1.11752 11.4 2.0 1.8 6.2
160 0 -8 4 43.617 87.235 1.11661 16.3 2.8 2.5 6.2
161 1 -7 4 43.79 87.58 1.11309 12.4 2.1 1.9 6.2
162 -5 -7 3 43.899 87.797 1.1109 9.7 1.7 1.5 6.2
163 -3 1 6 44.12 88.241 1.10646 36.3 6.2 5.6 6.2
164 -4 -6 5 44.235 88.471 1.10418 23.7 4.1 3.7 6.2
165 -1 5 5 44.426 88.852 1.10042 9.1 1.6 1.4 6.2
166 6 2 0 44.673 89.346 1.09561 20.3 3.5 3.1 6.2
167 0 10 2 44.709 89.417 1.09492 17.3 3.0 2.7 6.2
168 -6 6 2 44.833 89.666 1.09253 6.5 1.1 1.0 6.2
169 -1 -11 1 44.887 89.773 1.0915 6.0 1.0 0.9 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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