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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KELDYSHITE
1, f-keldyshite
NaZr[Si(2)O(6)OH]
Triclinic P 1(-) Z = 2
R =0.15 NR =421
8 .6 .1994
Ref.Str.:
Khalilov A.D., Khomiakov A.P., Makhmudov S.A. (1978)
* Dokl. Akad. Nauk SSSR, 238, 1, 573-575
Reserv:
T.V.Ush.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.0 alpha = 92.0
b = 5.34 beta = 116.0
c = 6.96 gamma = 88.0
Unit cell volume (cub. angs.) = 300.39
Molar volume ( cub.cm/mol.) = 90.47
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.276 0.774 0.057 1.4 Zr = 1.00
2 0.705 0.717 0.246 1.0 Si = 1.00
3 0.823 0.745 0.709 1.09 Si = 1.00
4 0.564 0.239 0.389 2.58 Na = 1.00
5 0.75 0.029 0.688 1.93 O = 1.00
6 0.519 0.814 0.227 0.73 O = 1.00
7 0.305 0.572 0.846 2.32 O = 1.00
8 0.004 0.684 0.915 1.18 O = 1.00
9 0.228 0.089 0.91 1.02 O = 1.00
10 0.295 0.469 0.211 1.04 O = 1.00
11 0.85 0.703 0.482 2.38 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.276 0.774 0.057
2 2 0.705 0.717 0.246
3 3 0.823 0.745 0.709
4 4 0.564 0.239 0.389
5 5 0.75 0.029 0.688
6 6 0.519 0.814 0.227
7 7 0.305 0.572 0.846
8 8 0.004 0.684 0.915
9 9 0.228 0.089 0.91
10 10 0.295 0.469 0.211
11 11 0.85 0.703 0.482
12 1 0.724 0.226 0.943
13 2 0.295 0.283 0.754
14 3 0.177 0.255 0.291
15 4 0.436 0.761 0.611
16 5 0.25 0.971 0.312
17 6 0.481 0.186 0.773
18 7 0.695 0.428 0.154
19 8 0.996 0.316 0.085
20 9 0.772 0.911 0.09
21 10 0.705 0.531 0.789
22 11 0.15 0.297 0.518
X-ray density (g/cm cub.) = 3.12
MU (1/cm) = 203.676 Mass attenuation coefficient (cm**2/g) = 65.262
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zr 2.616 6
1.9937 6
1.8958 7
2.2646 8
1.9351 9
1.9423 10
2.1279 5
2 Si 2.1 4
1.6847 6
1.5903 11
1.6401 7
1.8198 9
3 Si 2.1 4
1.617 5
1.6623 8
1.7069 11
1.8416 10
4 Na 2.808 4
2.3169 5
2.464 6
2.4847 10
2.6406 7
5 O 3.264 8
3.1617 6
2.8033 8
2.5969 11
2.8273 6
3.0762 8
2.8095 9
2.8083 10
2.861 10
6 O 3.264 8
3.1617 5
2.805 7
2.9623 9
2.742 10
2.7732 11
2.8273 5
2.7241 7
2.8953 9
7 O 3.264 7
2.805 6
2.9891 8
2.89 9
2.794 9
2.6581 10
2.7241 6
2.5359 11
8 O 3.264 9
2.8033 5
2.9891 7
3.0189 9
2.7652 10
2.7135 11
3.0762 5
2.3481 8
3.0435 9
2.5908 10
9 O 3.264 9
2.9623 6
2.794 7
2.89 7
3.0189 8
2.748 10
2.8095 5
2.8953 6
3.0435 8
2.7655 11
10 O 3.264 8
2.742 6
2.6581 7
2.7652 8
2.748 9
2.8083 5
2.861 5
2.5908 8
3.1269 11
11 O 3.264 6
2.5969 5
2.7732 6
2.7135 8
2.5359 7
2.7655 9
3.1269 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 0 0 5.466 10.931 0.062 217.49 2 25.4 311.0
2 -1 0 1 6.788 13.577 0.077 140.18 2 22.9 163.1
3 0 0 1 7.075 14.149 0.08 128.89 2 67.0 1283.7
4 0 1 0 8.301 16.602 0.094 93.02 2 1.2 0.3
5 1 1 0 9.858 19.717 0.111 65.31 2 12.2 21.6
6 -1 1 0 10.06 20.121 0.113 62.63 2 23.5 76.8
7 -2 0 1 10.127 20.255 0.114 61.77 2 34.1 159.0
8 -1 -1 1 10.537 21.073 0.119 56.9 2 103.5 1350.3
9 1 0 1 10.706 21.412 0.121 55.05 2 21.6 57.2
10 0 -1 1 10.819 21.639 0.122 53.86 2 15.3 28.1
11 -1 1 1 10.967 21.933 0.123 52.36 2 80.9 760.0
12 2 0 0 10.982 21.963 0.124 52.22 2 111.0 1426.8
13 0 1 1 11.058 22.116 0.125 51.47 2 21.8 54.0
14 -1 0 2 12.817 25.634 0.144 37.78 2 32.4 88.0
15 -2 -1 1 12.893 25.785 0.145 37.31 2 19.8 32.5
16 -2 1 1 13.404 26.808 0.15 34.37 2 46.4 163.9
17 1 -1 1 13.586 27.171 0.152 33.4 2 49.4 180.8
18 1 1 1 13.63 27.259 0.153 33.17 2 32.6 78.1
19 -2 0 2 13.675 27.349 0.153 32.94 2 37.3 101.5
20 2 1 0 13.68 27.36 0.154 32.92 2 57.0 237.2
21 -2 1 0 13.976 27.952 0.157 31.45 2 43.0 128.6
22 0 0 2 14.26 28.521 0.16 30.13 2 1.2 0.1
23 -3 0 1 14.888 29.775 0.167 27.49 2 28.7 50.3
24 -1 -1 2 15.104 30.209 0.169 26.65 2 87.3 450.3
25 2 0 1 15.564 31.128 0.174 24.98 2 84.6 396.0
26 -1 1 2 15.588 31.175 0.174 24.9 2 111.2 683.0
27 -2 -1 2 15.783 31.566 0.177 24.24 2 19.3 20.1
28 -2 1 2 16.375 32.751 0.183 22.39 2 43.6 94.3
29 0 -1 2 16.427 32.853 0.184 22.24 2 44.0 95.6
30 -3 0 2 16.505 33.01 0.184 22.01 2 15.2 11.3
31 3 0 0 16.603 33.206 0.185 21.73 2 21.8 23.0
32 0 1 2 16.752 33.503 0.187 21.31 2 67.2 213.6
33 0 2 0 16.782 33.565 0.187 21.23 2 102.9 497.9
34 -3 -1 1 16.876 33.752 0.188 20.97 2 100.3 467.5
35 -3 1 1 17.4 34.801 0.194 19.62 2 54.1 127.5
36 1 0 2 17.486 34.973 0.195 19.41 2 0.3 0.0
37 1 2 0 17.582 35.163 0.196 19.18 2 31.0 40.9
38 2 1 1 17.698 35.395 0.197 18.91 2 31.6 41.8
39 2 -1 1 17.781 35.563 0.198 18.71 2 16.5 11.3
40 -1 2 0 17.819 35.638 0.199 18.63 2 9.9 4.1
41 -1 -2 1 17.912 35.824 0.2 18.41 2 2.6 0.3
42 0 -2 1 18.145 36.291 0.202 17.9 2 57.7 132.1
43 -3 -1 2 18.262 36.525 0.203 17.65 2 8.8 3.0
44 0 2 1 18.444 36.887 0.205 17.27 2 0.5 0.0
45 -1 2 1 18.444 36.888 0.205 17.27 2 5.5 1.1
46 3 1 0 18.501 37.001 0.206 17.15 2 47.4 85.5
47 -3 1 0 18.841 37.682 0.21 16.48 2 0.9 0.0
48 -3 1 2 18.898 37.797 0.21 16.37 2 62.2 140.4
49 1 -1 2 19.386 38.772 0.215 15.47 2 38.8 51.5
50 -2 -2 1 19.401 38.801 0.216 15.44 2 8.9 2.7
51 -2 0 3 19.479 38.958 0.216 15.31 2 53.9 98.7
52 1 1 2 19.559 39.119 0.217 15.17 2 40.6 55.4
53 -1 0 3 19.804 39.608 0.22 14.76 2 23.6 18.2
54 2 2 0 20.025 40.05 0.222 14.4 2 25.9 21.4
55 1 -2 1 20.049 40.098 0.223 14.36 2 6.9 1.5
56 1 2 1 20.112 40.223 0.223 14.26 2 3.5 0.4
57 -2 2 1 20.112 40.225 0.223 14.26 2 16.1 8.1
58 -4 0 1 20.201 40.402 0.224 14.12 2 63.0 124.1
59 -2 2 0 20.449 40.897 0.227 13.74 2 32.4 31.9
60 -4 0 2 20.59 41.18 0.228 13.53 2 26.6 21.2
61 -3 0 3 20.77 41.539 0.23 13.27 2 47.2 65.5
62 3 0 1 20.931 41.862 0.232 13.04 2 78.5 178.3
63 -1 -2 2 20.987 41.974 0.232 12.96 2 39.5 44.8
64 -2 -1 3 21.007 42.014 0.233 12.94 2 23.1 15.3
65 -1 -1 3 21.364 42.727 0.236 12.46 2 8.8 2.2
66 -2 -2 2 21.452 42.904 0.237 12.34 2 68.6 128.8
67 -2 1 3 21.604 43.209 0.239 12.15 2 83.2 186.5
68 0 0 3 21.684 43.368 0.24 12.05 2 23.0 14.2
69 -1 2 2 21.714 43.429 0.24 12.01 2 44.2 51.9
70 -4 -1 1 21.716 43.433 0.24 12.01 2 14.7 5.8
71 2 0 2 21.81 43.621 0.241 11.89 2 16.6 7.3
72 -1 1 3 21.854 43.707 0.242 11.84 2 10.4 2.8
73 -4 -1 2 22.019 44.039 0.243 11.64 2 16.3 6.8
74 0 -2 2 22.051 44.101 0.244 11.6 2 61.2 96.4
75 -3 -1 3 22.176 44.351 0.245 11.46 2 7.3 1.4
76 -4 1 1 22.241 44.482 0.246 11.38 2 5.5 0.8
77 -3 -2 1 22.32 44.639 0.247 11.29 2 36.3 33.0
78 -2 2 2 22.363 44.727 0.247 11.24 2 41.7 43.3
79 4 0 0 22.395 44.79 0.247 11.2 2 77.2 148.2
80 0 2 2 22.557 45.114 0.249 11.02 2 6.3 1.0
81 3 1 1 22.58 45.161 0.249 11.0 2 27.3 18.1
82 -4 1 2 22.664 45.327 0.25 10.91 2 12.0 3.5
83 3 -1 1 22.746 45.491 0.251 10.82 2 22.0 11.6
84 -3 1 3 22.844 45.689 0.252 10.71 2 22.5 12.0
85 2 2 1 23.147 46.293 0.255 10.4 2 47.9 52.9
86 -3 2 1 23.148 46.296 0.255 10.4 2 20.4 9.6
87 0 -1 3 23.188 46.376 0.256 10.36 2 3.4 0.3
88 2 -2 1 23.281 46.562 0.257 10.26 2 74.0 124.5
89 -3 -2 2 23.372 46.745 0.258 10.17 2 12.2 3.4
90 -4 0 3 23.457 46.913 0.258 10.09 2 80.5 145.0
91 2 -1 2 23.463 46.926 0.258 10.08 2 41.2 38.0
92 2 1 2 23.518 47.037 0.259 10.03 2 65.8 96.4
93 0 1 3 23.554 47.109 0.259 10.0 2 45.4 45.7
94 3 2 0 23.689 47.377 0.261 9.87 2 11.5 2.9
95 4 1 0 23.858 47.715 0.263 9.71 2 48.5 50.6
96 -4 1 0 24.227 48.455 0.266 9.38 2 17.1 6.1
97 -3 2 0 24.244 48.489 0.267 9.36 2 13.5 3.8
98 -3 2 2 24.41 48.82 0.268 9.22 2 1.4 0.0
99 1 -2 2 24.484 48.967 0.269 9.15 2 37.1 27.9
100 -4 -1 3 24.696 49.392 0.271 8.98 2 20.2 8.1
101 1 2 2 24.771 49.543 0.272 8.91 2 40.3 32.1
102 1 0 3 24.835 49.67 0.273 8.86 2 25.6 12.9
103 -4 1 3 25.402 50.805 0.278 8.42 2 21.0 8.2
104 -5 0 2 25.459 50.918 0.279 8.38 2 26.4 12.9
105 -2 -2 3 25.66 51.319 0.281 8.23 2 68.2 84.8
106 0 3 0 25.665 51.33 0.281 8.22 2 10.4 2.0
107 -5 0 1 25.887 51.775 0.283 8.06 2 43.0 33.0
108 -1 -2 3 26.01 52.019 0.285 7.98 2 41.6 30.7
109 1 3 0 26.195 52.389 0.287 7.85 2 5.3 0.5
110 1 -1 3 26.243 52.485 0.287 7.82 2 38.8 26.0
111 -4 -2 1 26.296 52.593 0.288 7.78 2 37.8 24.6
112 -2 0 4 26.338 52.677 0.288 7.75 2 34.7 20.7
113 -1 -3 1 26.38 52.761 0.288 7.72 2 69.3 82.3
114 -1 3 0 26.454 52.908 0.289 7.68 2 42.8 31.2
115 1 1 3 26.491 52.983 0.29 7.65 2 30.5 15.7
116 -4 -2 2 26.504 53.007 0.29 7.64 2 58.5 58.0
117 0 -3 1 26.595 53.191 0.291 7.58 2 13.8 3.2
118 -3 -2 3 26.627 53.254 0.291 7.56 2 20.0 6.7
119 -5 -1 2 26.642 53.284 0.291 7.55 2 24.0 9.6
120 -3 0 4 26.646 53.292 0.291 7.55 2 44.7 33.5
121 4 0 1 26.665 53.33 0.291 7.54 2 59.2 58.6
122 -2 2 3 26.681 53.362 0.291 7.53 2 39.6 26.2
123 3 0 2 26.846 53.692 0.293 7.42 2 17.6 5.1
124 -1 2 3 26.852 53.703 0.293 7.42 2 45.9 34.6
125 0 3 1 26.927 53.854 0.294 7.37 2 33.5 18.3
126 -1 3 1 26.97 53.94 0.294 7.35 2 55.3 49.8
127 -5 -1 1 27.112 54.224 0.296 7.26 2 58.7 55.4
128 3 2 1 27.2 54.401 0.297 7.2 2 51.1 41.8
129 -4 2 1 27.202 54.404 0.297 7.2 2 28.0 12.5
130 -5 0 3 27.225 54.449 0.297 7.19 2 34.3 18.7
131 -5 1 2 27.287 54.575 0.298 7.15 2 62.5 61.9
132 -1 0 4 27.324 54.649 0.298 7.13 2 64.2 65.2
133 -2 -3 1 27.455 54.911 0.299 7.05 2 14.6 3.3
134 3 -2 1 27.488 54.976 0.3 7.03 2 35.1 19.2
135 -2 -1 4 27.512 55.024 0.3 7.02 2 57.0 50.6
136 -4 2 2 27.621 55.243 0.301 6.96 2 16.7 4.3
137 0 -2 3 27.641 55.283 0.301 6.95 2 52.7 42.7
138 -5 1 1 27.642 55.283 0.301 6.95 2 52.4 42.2
139 -3 -1 4 27.769 55.538 0.302 6.87 2 50.2 38.4
140 -3 2 3 27.79 55.581 0.303 6.86 2 78.3 93.2
141 2 3 0 27.991 55.982 0.305 6.75 2 34.9 18.2
142 4 1 1 28.015 56.029 0.305 6.74 2 53.8 43.2
143 2 -2 2 28.021 56.042 0.305 6.73 2 12.6 2.4
144 1 -3 1 28.08 56.16 0.306 6.7 2 52.4 40.8
145 -2 1 4 28.11 56.219 0.306 6.69 2 48.0 34.2
146 2 2 2 28.118 56.236 0.306 6.68 2 6.5 0.6
147 1 3 1 28.153 56.306 0.306 6.66 2 15.7 3.6
148 -4 0 4 28.217 56.435 0.307 6.63 2 14.6 3.1
149 4 2 0 28.229 56.457 0.307 6.62 2 17.0 4.2
150 4 -1 1 28.238 56.477 0.307 6.62 2 62.9 58.0
151 -2 3 1 28.277 56.555 0.308 6.6 2 61.0 54.4
152 3 1 2 28.284 56.569 0.308 6.59 2 38.0 21.1
153 0 2 3 28.286 56.571 0.308 6.59 2 11.4 1.9
154 -5 -1 3 28.303 56.606 0.308 6.58 2 19.7 5.6
155 3 -1 2 28.318 56.637 0.308 6.57 2 52.6 40.4
156 5 0 0 28.44 56.879 0.309 6.51 2 40.9 24.1
157 -3 1 4 28.445 56.89 0.309 6.51 2 34.3 17.0
158 -2 3 0 28.486 56.971 0.31 6.49 2 16.6 3.9
159 -1 -1 4 28.511 57.022 0.31 6.47 2 3.8 0.2
160 -1 -3 2 28.681 57.362 0.312 6.39 2 90.2 115.2
161 -4 -2 3 28.819 57.637 0.313 6.32 2 82.3 94.8
162 -4 2 0 28.884 57.767 0.314 6.29 2 41.4 23.8
163 2 0 3 28.958 57.917 0.314 6.25 2 4.8 0.3
164 -2 -3 2 29.012 58.024 0.315 6.22 2 20.2 5.6
165 -1 1 4 29.014 58.029 0.315 6.22 2 12.5 2.1
166 -5 1 3 29.028 58.056 0.315 6.22 2 48.7 32.6
167 -4 -1 4 29.26 58.519 0.317 6.11 2 18.4 4.6
168 0 0 4 29.515 59.03 0.32 5.99 2 21.8 6.3
169 -1 3 2 29.551 59.103 0.32 5.97 2 56.4 42.0
170 0 -3 2 29.575 59.15 0.32 5.96 2 36.3 17.4
171 5 1 0 29.644 59.288 0.321 5.93 2 56.7 42.3
172 -3 -3 1 29.726 59.451 0.322 5.89 2 95.3 118.5
173 -4 1 4 29.994 59.987 0.324 5.78 2 34.6 15.3
174 -5 1 0 30.042 60.085 0.325 5.76 2 38.5 19.0
175 -4 2 3 30.084 60.168 0.325 5.74 2 55.9 39.7
176 -2 3 2 30.114 60.228 0.326 5.72 2 51.3 33.4
177 0 3 2 30.193 60.385 0.326 5.69 2 54.7 37.7
178 2 -1 3 30.273 60.546 0.327 5.66 2 53.4 35.8
179 1 -2 3 30.416 60.832 0.329 5.6 2 35.8 15.9
180 2 1 3 30.421 60.843 0.329 5.6 2 78.0 75.5
181 -3 -3 2 30.542 61.084 0.33 5.55 2 47.8 28.0
182 2 3 1 30.546 61.093 0.33 5.55 2 36.2 16.1
183 -5 -2 2 30.595 61.191 0.33 5.53 2 8.5 0.9
184 0 -1 4 30.686 61.373 0.331 5.49 2 32.3 12.7
185 2 -3 1 30.713 61.426 0.332 5.48 2 6.3 0.5
186 -3 3 1 30.744 61.487 0.332 5.47 2 67.1 54.5
187 1 2 3 30.868 61.735 0.333 5.42 2 68.4 56.2
188 3 3 0 30.907 61.814 0.333 5.4 2 19.3 4.4
189 -6 0 2 30.92 61.841 0.334 5.4 2 65.2 50.8
190 -5 0 4 30.926 61.852 0.334 5.4 2 3.1 0.1
191 -5 -2 1 31.076 62.152 0.335 5.34 2 52.6 32.8
192 0 1 4 31.09 62.18 0.335 5.33 2 23.9 6.8
193 -2 -2 4 31.41 62.82 0.338 5.21 2 47.4 26.0
194 -3 3 0 31.604 63.209 0.34 5.14 2 19.4 4.3
195 -3 -2 4 31.608 63.217 0.34 5.14 2 18.2 3.8
196 1 -3 2 31.629 63.258 0.34 5.14 2 57.0 37.0
197 -5 2 2 31.773 63.546 0.342 5.08 2 20.6 4.8
198 -6 0 3 31.838 63.675 0.342 5.06 2 66.8 50.0
199 -3 3 2 31.843 63.685 0.342 5.06 2 46.7 24.5
200 -5 -1 4 31.876 63.751 0.343 5.05 2 51.1 29.2
201 -6 -1 2 31.931 63.861 0.343 5.03 2 25.7 7.4
202 -6 0 1 31.957 63.915 0.344 5.02 2 7.9 0.7
203 1 3 2 31.994 63.989 0.344 5.01 2 17.6 3.4
204 4 2 1 32.045 64.09 0.344 4.99 2 25.1 7.0
205 -5 2 1 32.047 64.093 0.344 4.99 2 34.9 13.5
206 -5 -2 3 32.076 64.151 0.345 4.98 2 12.8 1.8
207 -1 -2 4 32.372 64.744 0.348 4.88 2 47.5 24.4
208 3 2 2 32.381 64.762 0.348 4.88 2 32.4 11.4
209 3 -2 2 32.444 64.888 0.348 4.86 2 52.9 30.1
210 4 0 2 32.455 64.91 0.348 4.86 2 3.0 0.1
211 4 -2 1 32.457 64.914 0.348 4.85 2 73.8 58.7
212 -2 -3 3 32.469 64.937 0.348 4.85 2 15.8 2.7
213 -2 2 4 32.508 65.017 0.349 4.84 2 19.5 4.1
214 -6 1 2 32.585 65.17 0.35 4.81 2 5.7 0.3
215 -5 1 4 32.651 65.301 0.35 4.79 2 32.0 10.9
216 1 0 4 32.763 65.526 0.351 4.76 2 55.4 32.4
217 -6 -1 3 32.784 65.567 0.351 4.75 2 25.5 6.9
218 5 0 1 32.791 65.583 0.352 4.75 2 25.8 7.0
219 -1 -3 3 32.809 65.618 0.352 4.74 2 14.7 2.3
220 -3 2 4 32.854 65.708 0.352 4.73 2 52.2 28.5
221 -4 -2 4 32.955 65.91 0.353 4.7 2 20.7 4.5
222 -6 -1 1 32.999 65.997 0.354 4.69 2 23.2 5.6
223 -4 -3 1 33.042 66.084 0.354 4.67 2 30.8 9.8
224 -4 -3 2 33.174 66.347 0.355 4.63 2 16.4 2.8
225 -3 -3 3 33.27 66.54 0.356 4.6 2 13.1 1.7
226 -1 2 4 33.304 66.607 0.356 4.59 2 65.4 43.5
227 -5 2 3 33.418 66.836 0.357 4.56 2 35.7 12.9
228 5 2 0 33.471 66.942 0.358 4.55 2 22.5 5.1
229 -6 1 3 33.525 67.051 0.359 4.53 2 5.4 0.3
230 -6 1 1 33.545 67.091 0.359 4.52 2 6.4 0.4
231 -3 0 5 33.637 67.275 0.36 4.5 2 18.2 3.3
232 4 1 2 33.707 67.415 0.36 4.48 2 34.1 11.5
233 -2 3 3 33.794 67.588 0.361 4.46 2 14.1 2.0
234 4 -1 2 33.813 67.625 0.361 4.45 2 40.5 16.2
235 3 0 3 33.87 67.74 0.362 4.43 2 31.3 9.6
236 -1 3 3 33.905 67.809 0.362 4.42 2 6.7 0.4
237 1 -1 4 33.907 67.814 0.362 4.42 2 28.7 8.1
238 5 1 1 33.953 67.905 0.363 4.41 2 30.6 9.2
239 3 3 1 33.965 67.93 0.363 4.41 2 3.8 0.1
240 -2 0 5 34.008 68.017 0.363 4.4 2 14.9 2.2
241 2 -2 3 34.175 68.351 0.365 4.35 2 21.0 4.3
242 -5 2 0 34.214 68.428 0.365 4.34 2 17.1 2.8
243 1 1 4 34.216 68.433 0.365 4.34 2 47.3 21.5
244 -4 3 1 34.226 68.452 0.365 4.34 2 26.9 7.0
245 5 -1 1 34.227 68.454 0.365 4.34 2 27.1 7.1
246 0 -3 3 34.273 68.546 0.366 4.33 2 12.6 1.5
247 -4 2 4 34.323 68.646 0.366 4.31 2 10.9 1.1
248 3 -3 1 34.344 68.688 0.366 4.31 2 19.0 3.4
249 -4 0 5 34.389 68.777 0.367 4.3 2 7.7 0.6
250 0 -2 4 34.442 68.884 0.367 4.28 2 40.0 15.2
251 2 2 3 34.453 68.906 0.367 4.28 2 26.7 6.8
252 -3 -1 5 34.573 69.146 0.368 4.25 2 16.3 2.5
253 -6 0 4 34.624 69.249 0.369 4.24 2 21.2 4.2
254 -4 3 2 34.641 69.282 0.369 4.23 2 21.7 4.4
255 2 -3 2 34.73 69.46 0.37 4.21 2 11.9 1.3
256 4 3 0 34.789 69.578 0.37 4.2 2 26.6 6.6
257 -3 3 3 34.8 69.601 0.37 4.19 2 1.8 0.0
258 6 0 0 34.853 69.707 0.371 4.18 2 6.5 0.4
259 2 3 2 34.859 69.718 0.371 4.18 2 52.3 25.3
260 -2 -1 5 34.976 69.952 0.372 4.15 2 77.6 55.4
261 3 -1 3 35.117 70.233 0.373 4.12 2 20.6 3.9
262 0 3 3 35.128 70.256 0.374 4.11 2 16.3 2.4
263 -4 -3 3 35.174 70.348 0.374 4.1 2 1.5 0.0
264 3 1 3 35.181 70.362 0.374 4.1 2 6.0 0.3
265 0 2 4 35.201 70.402 0.374 4.1 2 5.2 0.2
266 -3 1 5 35.267 70.533 0.375 4.08 2 6.3 0.4
267 0 4 0 35.273 70.547 0.375 4.08 2 67.0 40.6
268 -4 -1 5 35.279 70.557 0.375 4.08 2 75.1 51.1
269 -5 -2 4 35.383 70.766 0.376 4.06 2 5.6 0.3
270 -1 0 5 35.484 70.969 0.377 4.03 2 4.4 0.2
271 -6 -1 4 35.486 70.972 0.377 4.03 2 57.5 29.6
272 -6 -2 2 35.493 70.986 0.377 4.03 2 47.8 20.4
273 -2 1 5 35.593 71.186 0.378 4.01 2 37.8 12.7
274 -4 3 0 35.665 71.329 0.378 3.99 2 2.9 0.1
275 1 4 0 35.678 71.355 0.379 3.99 2 47.6 20.0
276 -1 -4 1 35.786 71.573 0.38 3.97 2 1.6 0.0
277 6 1 0 35.9 71.8 0.381 3.94 2 42.2 15.6
278 -1 4 0 35.968 71.935 0.381 3.93 2 28.1 6.9
279 0 -4 1 36.003 72.007 0.382 3.92 2 8.4 0.6
280 -4 1 5 36.038 72.077 0.382 3.91 2 57.5 28.7
281 -5 0 5 36.23 72.459 0.384 3.87 2 1.6 0.0
282 -6 -2 3 36.258 72.517 0.384 3.87 2 47.3 19.2
283 -6 1 4 36.295 72.589 0.384 3.86 2 67.5 38.9
284 -6 1 0 36.333 72.666 0.385 3.85 2 9.0 0.7
285 0 4 1 36.376 72.753 0.385 3.84 2 21.4 3.9
286 -1 4 1 36.449 72.897 0.386 3.83 2 38.3 12.4
287 -1 -1 5 36.471 72.941 0.386 3.82 2 28.7 7.0
288 -6 -2 1 36.557 73.113 0.387 3.81 2 7.6 0.5
289 -2 -4 1 36.66 73.321 0.388 3.78 2 13.8 1.6
290 -6 2 2 36.733 73.467 0.388 3.77 2 60.0 30.1
291 -5 -3 2 36.793 73.586 0.389 3.76 2 42.0 14.7
292 1 -3 3 36.798 73.597 0.389 3.76 2 24.0 4.8
293 -5 2 4 36.852 73.705 0.389 3.75 2 3.5 0.1
294 -4 3 3 36.883 73.765 0.39 3.74 2 12.7 1.3
295 2 0 4 36.938 73.877 0.39 3.73 2 15.4 2.0
296 -7 0 2 36.956 73.911 0.39 3.73 2 5.5 0.2
297 -1 1 5 37.006 74.012 0.391 3.72 2 24.4 4.9
298 -5 -1 5 37.065 74.13 0.391 3.71 2 40.4 13.4
299 2 4 0 37.166 74.332 0.392 3.69 2 36.5 10.9
300 -7 0 3 37.192 74.383 0.392 3.68 2 3.3 0.1
301 -5 -3 1 37.279 74.559 0.393 3.67 2 38.9 12.3
302 1 -4 1 37.304 74.608 0.393 3.66 2 0.4 0.0
303 1 4 1 37.387 74.775 0.394 3.65 2 47.2 18.1
304 1 3 3 37.416 74.831 0.394 3.64 2 15.9 2.0
305 4 2 2 37.444 74.889 0.395 3.64 2 3.7 0.1
306 1 -2 4 37.537 75.075 0.395 3.62 2 25.7 5.3
307 -2 -3 4 37.555 75.11 0.396 3.62 2 16.0 2.1
308 5 2 1 37.597 75.195 0.396 3.61 2 17.2 2.4
309 -6 2 1 37.599 75.199 0.396 3.61 2 13.2 1.4
310 -2 4 1 37.602 75.203 0.396 3.61 2 41.2 13.6
311 4 -2 2 37.646 75.291 0.396 3.6 2 19.1 2.9
312 -6 2 3 37.672 75.345 0.397 3.6 2 42.8 14.6
313 -3 -3 4 37.702 75.404 0.397 3.59 2 32.8 8.6
314 -1 -4 2 37.707 75.414 0.397 3.59 2 0.6 0.0
315 -2 4 0 37.736 75.471 0.397 3.59 2 49.8 19.8
316 -7 -1 2 37.851 75.703 0.398 3.57 2 2.9 0.1
317 -5 1 5 37.881 75.763 0.399 3.56 2 28.7 6.5
318 -2 -4 2 37.96 75.92 0.399 3.55 2 18.0 2.6
319 -3 -2 5 37.989 75.978 0.4 3.55 2 23.0 4.2
320 0 0 5 38.011 76.023 0.4 3.54 2 19.8 3.1
321 -7 -1 3 38.04 76.08 0.4 3.54 2 8.3 0.5
322 2 -1 4 38.062 76.124 0.4 3.53 2 43.3 14.7
323 -5 -3 3 38.109 76.218 0.401 3.53 2 32.7 8.4
324 5 -2 1 38.123 76.247 0.401 3.52 2 10.9 0.9
325 1 2 4 38.13 76.259 0.401 3.52 2 64.9 32.9
326 2 1 4 38.286 76.573 0.402 3.5 2 20.1 3.1
327 4 3 1 38.299 76.598 0.402 3.5 2 21.5 3.6
328 -5 3 2 38.412 76.824 0.403 3.48 2 35.8 9.9
329 -2 -2 5 38.413 76.825 0.403 3.48 2 15.7 1.9
330 -1 -3 4 38.479 76.959 0.404 3.47 2 2.9 0.1
331 -7 0 1 38.517 77.034 0.404 3.46 2 17.7 2.4
332 0 -4 2 38.525 77.05 0.404 3.46 2 14.0 1.5
333 -7 1 2 38.53 77.06 0.404 3.46 2 26.4 5.3
334 -3 -4 1 38.598 77.195 0.405 3.45 2 17.5 2.3
335 -5 3 1 38.618 77.236 0.405 3.45 2 73.6 41.4
336 -4 -2 5 38.635 77.269 0.405 3.44 2 16.5 2.1
337 5 0 2 38.655 77.31 0.405 3.44 2 20.5 3.2
338 3 3 2 38.691 77.382 0.406 3.44 2 1.7 0.0
339 -1 4 2 38.722 77.444 0.406 3.43 2 27.8 5.9
340 3 -3 2 38.778 77.557 0.407 3.42 2 49.3 18.5
341 -7 1 3 38.808 77.616 0.407 3.42 2 39.5 11.8
342 -6 -2 4 38.81 77.62 0.407 3.42 2 22.2 3.7
343 3 -2 3 38.816 77.632 0.407 3.42 2 58.4 25.8
344 4 -3 1 38.872 77.743 0.407 3.41 2 39.8 12.0
345 -4 -3 4 38.917 77.834 0.408 3.4 2 9.4 0.7
346 3 2 3 38.94 77.88 0.408 3.4 2 42.7 13.7
347 0 -1 5 39.009 78.018 0.409 3.39 2 61.7 28.5
348 -2 3 4 39.076 78.152 0.409 3.38 2 8.7 0.6
349 -6 0 5 39.1 78.2 0.409 3.38 2 28.0 5.9
350 -7 0 4 39.214 78.428 0.41 3.36 2 8.2 0.5
351 0 4 2 39.253 78.506 0.411 3.35 2 14.1 1.5
352 -2 4 2 39.254 78.507 0.411 3.35 2 17.6 2.3
353 -3 -4 2 39.277 78.555 0.411 3.35 2 14.1 1.5
354 -3 2 5 39.324 78.647 0.411 3.34 2 22.7 3.8
355 6 2 0 39.393 78.785 0.412 3.33 2 16.6 2.0
356 6 0 1 39.429 78.857 0.412 3.33 2 24.8 4.6
357 -3 3 4 39.432 78.863 0.412 3.33 2 18.5 2.5
358 -7 -1 1 39.446 78.893 0.412 3.33 2 24.3 4.3
359 2 4 1 39.452 78.905 0.412 3.33 2 44.0 14.2
360 0 1 5 39.463 78.925 0.413 3.32 2 41.9 12.9
361 4 0 3 39.518 79.036 0.413 3.32 2 28.4 5.9
362 5 3 0 39.546 79.091 0.413 3.31 2 21.4 3.4
363 -2 2 5 39.603 79.206 0.414 3.31 2 12.2 1.1
364 2 -4 1 39.65 79.301 0.414 3.3 2 28.6 6.0
365 3 4 0 39.694 79.389 0.415 3.29 2 31.4 7.2
366 -1 3 4 39.78 79.56 0.415 3.28 2 8.1 0.5
367 5 1 2 39.789 79.579 0.415 3.28 2 3.0 0.1
368 -3 4 1 39.803 79.606 0.416 3.28 2 10.3 0.8
369 -6 -1 5 39.88 79.76 0.416 3.27 2 37.2 10.1
370 -1 -2 5 39.895 79.79 0.416 3.27 2 5.6 0.2
371 5 -1 2 39.958 79.916 0.417 3.26 2 12.9 1.2
372 -5 3 3 39.981 79.963 0.417 3.26 2 14.7 1.6
373 -7 -1 4 40.004 80.007 0.417 3.25 2 56.0 22.6
374 -7 1 1 40.026 80.053 0.417 3.25 2 12.9 1.2
375 -4 2 5 40.102 80.205 0.418 3.24 2 5.8 0.2
376 -6 2 0 40.232 80.463 0.419 3.23 2 15.2 1.7
377 2 -3 3 40.317 80.633 0.42 3.22 2 34.3 8.4
378 -5 -2 5 40.334 80.667 0.42 3.21 2 19.2 2.6
379 -6 2 4 40.375 80.749 0.42 3.21 2 15.4 1.7
380 1 -4 2 40.394 80.788 0.421 3.21 2 10.8 0.8
381 0 -3 4 40.453 80.907 0.421 3.2 2 10.6 0.8
382 6 1 1 40.477 80.954 0.421 3.2 2 41.8 12.4
383 -3 4 0 40.532 81.063 0.422 3.19 2 16.3 1.9
384 -5 3 0 40.593 81.186 0.422 3.18 2 55.3 21.6
385 2 3 3 40.709 81.418 0.423 3.17 2 45.1 14.3
386 4 1 3 40.725 81.451 0.424 3.17 2 21.8 3.3
387 4 -1 3 40.734 81.468 0.424 3.17 2 22.0 3.4
388 -6 1 5 40.749 81.498 0.424 3.17 2 22.5 3.5
389 6 -1 1 40.805 81.609 0.424 3.16 2 36.3 9.2
390 1 4 2 40.836 81.671 0.424 3.16 2 38.4 10.3
391 -3 4 2 40.837 81.674 0.424 3.16 2 14.5 1.5
392 -4 3 4 40.84 81.68 0.424 3.16 2 19.9 2.8
393 -7 1 4 40.852 81.703 0.425 3.15 2 43.6 13.3
394 -1 2 5 40.935 81.87 0.425 3.15 2 9.0 0.6
395 -2 -4 3 41.009 82.018 0.426 3.14 2 47.9 16.0
396 -7 -2 2 41.167 82.334 0.427 3.12 2 17.1 2.0
397 -5 -3 4 41.173 82.345 0.427 3.12 2 36.9 9.4
398 -7 -2 3 41.306 82.613 0.428 3.11 2 15.4 1.6
399 -6 -3 2 41.332 82.665 0.429 3.1 2 38.9 10.4
400 -1 -4 3 41.355 82.71 0.429 3.1 2 19.9 2.7
401 0 3 4 41.531 83.062 0.43 3.08 2 6.9 0.3
402 1 0 5 41.534 83.067 0.43 3.08 2 46.6 14.8
403 -4 -4 1 41.555 83.11 0.431 3.08 2 2.5 0.0
404 2 -2 4 41.595 83.19 0.431 3.08 2 29.0 5.7
405 -4 -4 2 41.632 83.263 0.431 3.07 2 36.1 8.9
406 -3 -4 3 41.711 83.422 0.432 3.07 2 1.2 0.0
407 -3 0 6 41.721 83.443 0.432 3.06 2 46.1 14.4
408 7 0 0 41.815 83.63 0.433 3.06 2 56.4 21.6
409 -4 0 6 41.83 83.661 0.433 3.05 2 8.3 0.5
410 -5 2 5 41.925 83.85 0.434 3.05 2 23.5 3.7
411 3 0 4 41.991 83.982 0.434 3.04 2 27.7 5.2
412 -6 -3 3 42.019 84.038 0.435 3.04 2 22.3 3.3
413 2 2 4 42.034 84.068 0.435 3.04 2 4.7 0.2
414 -6 -3 1 42.395 84.79 0.438 3.0 2 30.2 6.1
415 0 -2 5 42.409 84.818 0.438 3.0 2 5.6 0.2
416 -7 2 2 42.494 84.987 0.438 2.99 2 2.2 0.0
417 3 4 1 42.534 85.067 0.439 2.99 2 67.5 30.2
418 1 -1 5 42.545 85.091 0.439 2.99 2 11.0 0.8
419 -3 -1 6 42.55 85.1 0.439 2.99 2 1.7 0.0
420 -4 -1 6 42.624 85.248 0.44 2.98 2 24.6 4.0
421 -2 4 3 42.636 85.272 0.44 2.98 2 12.2 1.0
422 -2 0 6 42.657 85.314 0.44 2.98 2 3.0 0.1
423 -1 4 3 42.705 85.409 0.44 2.98 2 20.6 2.8
424 0 -4 3 42.746 85.491 0.441 2.97 2 44.9 13.3
425 7 1 0 42.773 85.545 0.441 2.97 2 40.3 10.7
426 -7 -2 1 42.776 85.552 0.441 2.97 2 25.6 4.3
427 -7 2 3 42.811 85.621 0.441 2.97 2 11.3 0.8
428 1 1 5 42.922 85.845 0.442 2.96 2 8.6 0.5
429 -7 0 5 42.955 85.911 0.442 2.96 2 14.2 1.3
430 -5 0 6 42.983 85.966 0.443 2.96 2 32.2 6.8
431 3 -4 1 43.005 86.009 0.443 2.95 2 1.5 0.0
432 -4 4 1 43.018 86.035 0.443 2.95 2 26.0 4.4
433 -6 -2 5 43.06 86.12 0.443 2.95 2 37.8 9.4
434 -6 3 2 43.112 86.225 0.444 2.95 2 9.4 0.6
435 3 -1 4 43.115 86.23 0.444 2.95 2 14.3 1.3
436 -7 -2 4 43.192 86.384 0.444 2.94 2 16.4 1.8
437 4 4 0 43.224 86.449 0.445 2.94 2 7.3 0.4
438 -7 1 0 43.255 86.51 0.445 2.93 2 19.4 2.4
439 3 1 4 43.265 86.529 0.445 2.93 2 27.0 4.8
440 -5 3 4 43.281 86.563 0.445 2.93 2 13.0 1.1
441 2 -4 2 43.287 86.573 0.445 2.93 2 12.9 1.1
442 -3 1 6 43.292 86.583 0.445 2.93 2 5.9 0.2
443 0 2 5 43.301 86.602 0.445 2.93 2 19.9 2.6
444 5 2 2 43.317 86.633 0.445 2.93 2 38.5 9.6
445 -8 0 3 43.319 86.637 0.445 2.93 2 29.1 5.5
446 -4 1 6 43.434 86.869 0.446 2.92 2 18.9 2.3
447 1 -3 4 43.448 86.896 0.446 2.92 2 16.5 1.8
448 2 4 2 43.448 86.896 0.446 2.92 2 12.7 1.0
449 -4 4 2 43.45 86.901 0.446 2.92 2 7.7 0.4
450 -4 -4 3 43.453 86.906 0.446 2.92 2 56.9 20.9
451 4 3 2 43.453 86.906 0.446 2.92 2 25.2 4.1
452 -2 -1 6 43.518 87.035 0.447 2.92 2 37.5 9.1
453 5 3 1 43.522 87.045 0.447 2.92 2 34.7 7.8
454 -3 4 3 43.61 87.219 0.448 2.91 2 63.9 26.3
455 5 -2 2 43.649 87.298 0.448 2.91 2 40.8 10.7
456 -8 0 2 43.68 87.361 0.448 2.91 2 46.7 14.0
457 -7 -1 5 43.688 87.376 0.448 2.9 2 29.7 5.7
458 -3 -3 5 43.704 87.408 0.448 2.9 2 29.1 5.5
459 -5 -1 6 43.74 87.479 0.449 2.9 2 12.3 1.0
460 4 -3 2 43.745 87.49 0.449 2.9 2 21.2 2.9
461 0 4 3 43.815 87.629 0.449 2.9 2 2.9 0.1
462 -6 3 1 43.903 87.806 0.45 2.89 2 9.7 0.6
463 6 2 1 43.916 87.833 0.45 2.89 2 22.1 3.1
464 -7 2 1 43.919 87.838 0.45 2.89 2 19.3 2.4
465 -6 3 3 44.062 88.125 0.451 2.88 2 11.4 0.8
466 -8 -1 3 44.105 88.21 0.452 2.88 2 11.8 0.9
467 -2 -3 5 44.15 88.301 0.452 2.88 2 32.8 6.8
468 -2 1 6 44.189 88.379 0.452 2.87 2 24.9 3.9
469 5 -3 1 44.288 88.575 0.453 2.87 2 5.4 0.2
470 -4 -3 5 44.298 88.596 0.453 2.87 2 21.7 3.0
471 1 3 4 44.31 88.619 0.453 2.87 2 30.5 5.9
472 4 2 3 44.32 88.639 0.454 2.87 2 46.4 13.7
473 -4 4 0 44.326 88.651 0.454 2.86 2 36.0 8.2
474 4 -2 3 44.336 88.672 0.454 2.86 2 15.6 1.5
475 -6 -3 4 44.445 88.89 0.455 2.86 2 21.6 2.9
476 -8 -1 2 44.511 89.022 0.455 2.85 2 36.6 8.5
477 6 -2 1 44.564 89.128 0.455 2.85 2 35.4 7.9
478 -7 1 5 44.614 89.228 0.456 2.85 2 22.9 3.3
479 -5 1 6 44.617 89.235 0.456 2.85 2 8.0 0.4
480 -1 0 6 44.631 89.261 0.456 2.85 2 25.9 4.2
481 -8 0 4 44.697 89.393 0.457 2.84 2 31.4 6.2
482 -6 2 5 44.776 89.551 0.457 2.84 2 17.3 1.9
483 3 -3 3 44.805 89.609 0.457 2.84 2 12.5 1.0
484 -7 2 4 44.867 89.734 0.458 2.84 2 1.2 0.0
485 -8 1 3 44.922 89.844 0.458 2.83 2 1.5 0.0
486 3 3 3 44.986 89.972 0.459 2.83 2 0.4 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 0 0 5.466 10.931 8.08722 311.0 14.2 14.3 5.6
2 -1 0 1 6.788 13.577 6.51651 163.1 7.5 7.5 5.6
3 0 0 1 7.075 14.149 6.25412 1283.7 58.7 59.0 5.6
4 -1 1 0 10.06 20.121 4.40956 76.8 3.5 3.5 5.6
5 -2 0 1 10.127 20.255 4.38062 159.0 7.3 7.3 5.6
6 -1 -1 1 10.537 21.073 4.21234 1350.3 61.7 61.8 5.6
7 1 0 1 10.706 21.412 4.14644 57.2 2.6 2.6 5.6
8 0 -1 1 10.819 21.639 4.10352 28.1 1.3 1.3 5.6
9 2 0 0 10.982 21.963 4.04361 2186.8 100.0 100.0 5.6
10 0 1 1 11.058 22.116 4.01603 54.0 2.5 2.5 5.6
11 -1 0 2 12.817 25.634 3.47229 88.0 4.0 4.0 5.6
12 -2 -1 1 12.893 25.785 3.45221 32.5 1.5 1.5 5.6
13 -2 1 1 13.404 26.808 3.32283 163.9 7.5 7.5 5.6
14 1 -1 1 13.586 27.171 3.27922 180.8 8.3 8.2 5.6
15 1 1 1 13.63 27.259 3.26882 78.1 3.6 3.6 5.6
16 2 1 0 13.68 27.36 3.25706 338.7 15.5 15.4 5.6
17 -2 1 0 13.976 27.952 3.18934 128.6 5.9 5.9 5.6
18 -3 0 1 14.888 29.775 2.99809 50.3 2.3 2.3 5.6
19 -1 -1 2 15.104 30.209 2.95603 450.3 20.6 20.5 5.6
20 -1 1 2 15.588 31.175 2.86657 1079.0 49.3 49.0 5.6
21 -2 1 2 16.375 32.751 2.73218 94.3 4.3 4.3 5.6
22 0 -1 2 16.427 32.853 2.7239 95.6 4.4 4.3 5.6
23 3 0 0 16.603 33.206 2.69574 23.0 1.1 1.0 5.6
24 0 1 2 16.752 33.503 2.67253 213.6 9.8 9.7 5.7
25 0 2 0 16.782 33.565 2.66774 497.9 22.8 22.6 5.7
26 -3 -1 1 16.876 33.752 2.65336 467.5 21.4 21.2 5.7
27 -3 1 1 17.4 34.801 2.57579 127.5 5.8 5.8 5.7
28 1 2 0 17.582 35.163 2.55007 40.9 1.9 1.8 5.7
29 2 1 1 17.698 35.395 2.53386 41.8 1.9 1.9 5.7
30 0 -2 1 18.145 36.291 2.47338 132.1 6.0 6.0 5.7
31 3 1 0 18.501 37.001 2.42749 85.5 3.9 3.9 5.7
32 -3 1 2 18.898 37.797 2.3782 140.4 6.4 6.3 5.7
33 1 -1 2 19.386 38.772 2.32061 54.2 2.5 2.4 5.7
34 -2 0 3 19.479 38.958 2.30994 98.7 4.5 4.4 5.7
35 1 1 2 19.559 39.119 2.30082 55.4 2.5 2.5 5.7
36 2 2 0 20.025 40.05 2.24946 22.9 1.0 1.0 5.7
37 -4 0 1 20.201 40.402 2.23064 124.1 5.7 5.6 5.7
38 -2 2 0 20.449 40.897 2.20478 31.9 1.5 1.4 5.7
39 -3 0 3 20.77 41.539 2.17217 65.5 3.0 2.9 5.7
40 3 0 1 20.931 41.862 2.15617 178.3 8.2 8.0 5.7
41 -1 -2 2 20.987 41.974 2.15067 60.1 2.7 2.7 5.7
42 -2 -2 2 21.452 42.904 2.10617 128.8 5.9 5.8 5.7
43 -2 1 3 21.604 43.209 2.09204 186.5 8.5 8.4 5.7
44 -1 2 2 21.714 43.429 2.08195 57.7 2.6 2.6 5.7
45 0 -2 2 22.051 44.101 2.05176 96.4 4.4 4.3 5.7
46 -3 -2 1 22.32 44.639 2.02827 33.0 1.5 1.5 5.7
47 -2 2 2 22.363 44.727 2.0245 43.3 2.0 1.9 5.7
48 4 0 0 22.395 44.79 2.02181 148.2 6.8 6.6 5.7
49 2 2 1 23.147 46.293 1.95957 62.5 2.9 2.8 5.7
50 2 -2 1 23.281 46.562 1.9489 124.5 5.7 5.6 5.7
51 -4 0 3 23.457 46.913 1.93511 182.9 8.4 8.2 5.7
52 2 1 2 23.518 47.037 1.93032 96.4 4.4 4.3 5.7
53 0 1 3 23.554 47.109 1.92754 45.7 2.1 2.0 5.7
54 4 1 0 23.858 47.715 1.90444 50.6 2.3 2.3 5.7
55 1 -2 2 24.484 48.967 1.85864 27.9 1.3 1.2 5.7
56 1 2 2 24.771 49.543 1.83838 32.1 1.5 1.4 5.7
57 -2 -2 3 25.66 51.319 1.77883 86.7 4.0 3.9 5.8
58 -5 0 1 25.887 51.775 1.76426 33.0 1.5 1.5 5.8
59 -1 -2 3 26.01 52.019 1.75653 30.7 1.4 1.4 5.8
60 1 -1 3 26.243 52.485 1.74203 26.0 1.2 1.2 5.8
61 -4 -2 1 26.296 52.593 1.73873 24.6 1.1 1.1 5.8
62 -1 -3 1 26.38 52.761 1.73359 82.3 3.8 3.7 5.8
63 -1 3 0 26.454 52.908 1.72909 31.2 1.4 1.4 5.8
64 -4 -2 2 26.504 53.007 1.72611 73.7 3.4 3.3 5.8
65 4 0 1 26.665 53.33 1.71642 134.6 6.2 6.0 5.8
66 -1 2 3 26.852 53.703 1.70537 39.7 1.8 1.8 5.8
67 -1 3 1 26.97 53.94 1.69843 49.8 2.3 2.2 5.8
68 -5 -1 1 27.112 54.224 1.69022 55.4 2.5 2.5 5.8
69 3 2 1 27.2 54.401 1.68513 73.0 3.3 3.2 5.8
70 -5 1 2 27.287 54.575 1.68017 61.9 2.8 2.7 5.8
71 -1 0 4 27.324 54.649 1.67808 65.2 3.0 2.9 5.8
72 -2 -1 4 27.512 55.024 1.66751 69.8 3.2 3.1 5.8
73 -5 1 1 27.642 55.283 1.6603 89.2 4.1 3.9 5.8
74 -3 2 3 27.79 55.581 1.65212 131.6 6.0 5.8 5.8
75 4 1 1 28.015 56.029 1.63996 63.7 2.9 2.8 5.8
76 1 -3 1 28.08 56.16 1.63643 40.8 1.9 1.8 5.8
77 -2 1 4 28.11 56.219 1.63486 34.8 1.6 1.5 5.8
78 4 -1 1 28.238 56.477 1.62801 65.3 3.0 2.9 5.8
79 -2 3 1 28.277 56.555 1.62595 83.0 3.8 3.7 5.8
80 3 -1 2 28.318 56.637 1.62379 40.4 1.8 1.8 5.8
81 5 0 0 28.44 56.879 1.61744 41.1 1.9 1.8 5.8
82 -1 -3 2 28.681 57.362 1.60497 115.2 5.3 5.1 5.8
83 -4 -2 3 28.819 57.637 1.59797 94.8 4.3 4.2 5.8
84 -4 2 0 28.884 57.767 1.59467 23.8 1.1 1.1 5.8
85 -5 1 3 29.028 58.056 1.58742 40.4 1.8 1.8 5.8
86 -1 3 2 29.551 59.103 1.56179 59.4 2.7 2.6 5.8
87 5 1 0 29.644 59.288 1.55735 42.3 1.9 1.9 5.8
88 -3 -3 1 29.726 59.451 1.55347 118.5 5.4 5.2 5.8
89 -4 2 3 30.084 60.168 1.53665 39.7 1.8 1.7 5.8
90 -2 3 2 30.114 60.228 1.53526 33.4 1.5 1.5 5.8
91 0 3 2 30.193 60.385 1.53165 37.7 1.7 1.7 5.8
92 2 -1 3 30.273 60.546 1.52796 35.8 1.6 1.6 5.8
93 2 1 3 30.421 60.843 1.52123 91.4 4.2 4.0 5.8
94 -3 -3 2 30.542 61.084 1.51579 44.1 2.0 1.9 5.8
95 -3 3 1 30.744 61.487 1.50682 54.5 2.5 2.4 5.8
96 1 2 3 30.868 61.735 1.50135 56.2 2.6 2.5 5.8
97 -6 0 2 30.92 61.841 1.49905 55.4 2.5 2.4 5.8
98 -5 -2 1 31.076 62.152 1.49228 39.6 1.8 1.7 5.8
99 -2 -2 4 31.41 62.82 1.47801 26.0 1.2 1.1 5.9
100 1 -3 2 31.629 63.258 1.46883 45.0 2.1 2.0 5.9
101 -6 0 3 31.838 63.675 1.46021 74.5 3.4 3.3 5.9
102 -5 -1 4 31.876 63.751 1.45865 29.2 1.3 1.3 5.9
103 -5 2 1 32.047 64.093 1.45169 22.2 1.0 1.0 5.9
104 -1 -2 4 32.372 64.744 1.43867 35.7 1.6 1.6 5.9
105 4 -2 1 32.457 64.914 1.4353 91.5 4.2 4.0 5.9
106 1 0 4 32.763 65.526 1.42338 46.2 2.1 2.0 5.9
107 -3 2 4 32.854 65.708 1.41987 28.5 1.3 1.2 5.9
108 -1 2 4 33.304 66.607 1.40287 43.5 2.0 1.9 5.9
109 5 -1 1 34.227 68.454 1.36945 38.4 1.8 1.7 5.9
110 0 -2 4 34.442 68.884 1.36195 22.0 1.0 1.0 5.9
111 2 3 2 34.859 69.718 1.34768 25.3 1.2 1.1 5.9
112 -2 -1 5 34.976 69.952 1.34375 55.4 2.5 2.4 5.9
113 -4 -1 5 35.279 70.557 1.3337 91.6 4.2 4.0 5.9
114 -6 -1 4 35.486 70.972 1.32692 50.0 2.3 2.2 5.9
115 -4 1 5 36.038 72.077 1.30927 28.7 1.3 1.2 5.9
116 -6 1 4 36.295 72.589 1.30129 38.9 1.8 1.7 6.0
117 -6 2 2 36.733 73.467 1.2879 30.1 1.4 1.3 6.0
118 -6 2 3 37.672 75.345 1.26039 26.1 1.2 1.1 6.0
119 1 2 4 38.13 76.259 1.24753 42.2 1.9 1.8 6.0
120 -5 3 1 38.618 77.236 1.23417 43.7 2.0 1.9 6.0
121 3 -3 2 38.778 77.557 1.22987 30.3 1.4 1.3 6.0
122 3 -2 3 38.816 77.632 1.22887 29.5 1.4 1.3 6.0
123 0 -1 5 39.009 78.018 1.22375 28.5 1.3 1.2 6.0
124 2 4 1 39.452 78.905 1.21221 38.6 1.8 1.6 6.0
125 -7 -1 4 40.004 80.007 1.19825 26.6 1.2 1.1 6.0
126 -7 1 4 40.852 81.703 1.17761 27.8 1.3 1.2 6.1
127 7 0 0 41.815 83.63 1.15532 22.0 1.0 0.9 6.1
128 3 4 1 42.534 85.067 1.13943 31.1 1.4 1.3 6.1
129 0 -4 3 42.746 85.491 1.13486 24.0 1.1 1.0 6.1
130 4 3 2 43.453 86.906 1.11998 30.5 1.4 1.3 6.1
131 -3 4 3 43.61 87.219 1.11676 26.3 1.2 1.1 6.2
132 -8 0 2 43.68 87.361 1.11532 25.2 1.2 1.0 6.2
133 -4 4 0 44.326 88.651 1.10239 32.3 1.5 1.3 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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