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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HURLBUTITE
1
CaBe(2)P(2)O(8)
Monoclinic P 2(1)/a Z = 4
R =0.062
19 .1 .1990
Ref.Str.:
Lindbloom J.T., Gibbs G.V., Ribbe P.H. (1974)
* Amer. Mineral., 59,1267-1271
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.299 alpha = 90.0
b = 8.782 beta = 90.5
c = 7.798 gamma = 90.0
Unit cell volume (cub. angs.) = 568.31
Molar volume ( cub.cm/mol.) = 85.58
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3869 0.0863 0.244 0.66 Ca = 1.00
2 0.2626 0.4177 0.4395 0.72 P = 1.00
3 0.268 0.4215 0.0707 0.75 Be = 1.00
4 0.0588 0.1976 0.9394 0.38 P = 1.00
5 0.0566 0.1949 0.5698 0.72 Be = 1.00
6 0.1928 0.0888 0.0028 0.6 O = 1.00
7 0.1881 0.0737 0.4965 0.59 O = 1.00
8 0.1224 0.3634 0.945 0.54 O = 1.00
9 0.1296 0.3689 0.563 0.78 O = 1.00
10 0.4215 0.3096 0.0675 0.72 O = 1.00
11 0.4034 0.3065 0.4371 0.61 O = 1.00
12 0.4999 0.6553 0.2388 0.73 O = 1.00
13 0.1854 0.4199 0.2591 0.77 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3869 0.0863 0.244
2 2 0.2626 0.4177 0.4395
3 3 0.268 0.4215 0.0707
4 4 0.0588 0.1976 0.9394
5 5 0.0566 0.1949 0.5698
6 6 0.1928 0.0888 0.0028
7 7 0.1881 0.0737 0.4965
8 8 0.1224 0.3634 0.945
9 9 0.1296 0.3689 0.563
10 10 0.4215 0.3096 0.0675
11 11 0.4034 0.3065 0.4371
12 12 0.4999 0.6553 0.2388
13 13 0.1854 0.4199 0.2591
14 1 0.6131 0.9137 0.756
15 2 0.7374 0.5823 0.5605
16 3 0.732 0.5785 0.9293
17 4 0.9412 0.8024 0.0606
18 5 0.9434 0.8051 0.4302
19 6 0.8072 0.9112 0.9972
20 7 0.8119 0.9263 0.5035
21 8 0.8776 0.6366 0.055
22 9 0.8704 0.6311 0.437
23 10 0.5785 0.6904 0.9325
24 11 0.5966 0.6935 0.5629
25 12 0.5001 0.3447 0.7612
26 13 0.8146 0.5801 0.7409
27 1 0.8869 0.4137 0.244
28 2 0.7626 0.0823 0.4395
29 3 0.768 0.0785 0.0707
30 4 0.5588 0.3024 0.9394
31 5 0.5566 0.3051 0.5698
32 6 0.6928 0.4112 0.0028
33 7 0.6881 0.4263 0.4965
34 8 0.6224 0.1366 0.945
35 9 0.6296 0.1311 0.563
36 10 0.9215 0.1904 0.0675
37 11 0.9034 0.1935 0.4371
38 12 0.0 0.8447 0.2388
39 13 0.6854 0.0801 0.2591
40 1 0.1131 0.5863 0.756
41 2 0.2374 0.9177 0.5605
42 3 0.232 0.9215 0.9293
43 4 0.4412 0.6976 0.0606
44 5 0.4434 0.6949 0.4302
45 6 0.3072 0.5888 0.9972
46 7 0.3119 0.5737 0.5035
47 8 0.3776 0.8634 0.055
48 9 0.3704 0.8689 0.437
49 10 0.0785 0.8096 0.9325
50 11 0.0966 0.8065 0.5629
51 12 0.0001 0.1553 0.7612
52 13 0.3146 0.9199 0.7409
X-ray density (g/cm cub.) = 2.9
MU (1/cm) = 147.008 Mass attenuation coefficient (cm**2/g) = 50.726
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 7
2.4658 6
2.5822 7
2.4144 10
2.454 11
2.4796 13
2.4511 8
2.4357 9
2 P 2.232 4
1.5323 9
1.5231 11
1.5408 13
1.5132 7
3 Be 2.04 4
1.6311 8
1.6093 10
1.6267 13
1.6113 6
4 P 2.232 4
1.5442 6
1.5493 8
1.5232 10
1.5148 12
5 Be 2.04 4
1.6314 7
1.6448 9
1.6323 11
1.6065 12
6 O 3.264 8
2.521 8
2.7568 10
2.4779 10
3.2548 12
2.5348 8
2.6839 10
2.5289 12
2.7256 13
7 O 3.264 8
2.6888 9
2.7571 11
2.6239 11
3.2349 12
2.3982 9
2.5215 11
2.6953 12
2.5542 13
8 O 3.264 8
2.521 6
2.9803 9
2.6937 10
2.5488 13
3.2634 8
2.4553 10
2.5348 6
2.5296 12
9 O 3.264 7
2.6888 7
2.9803 8
2.5429 11
2.4597 13
2.6131 11
2.3982 7
2.663 12
10 O 3.264 8
2.7568 6
2.6937 8
2.8875 11
2.6572 13
2.5006 12
2.4779 6
2.4553 8
2.6839 6
11 O 3.264 8
2.7571 7
2.5429 9
2.8875 10
2.4795 13
2.6662 12
2.6239 7
2.6131 9
2.5215 7
12 O 3.264 8
2.5006 10
2.6662 11
3.2552 6
3.2353 7
2.5289 6
2.6953 7
2.5296 8
2.663 9
13 O 3.264 6
2.5488 8
2.4597 9
2.6572 10
2.4795 11
2.7256 6
2.5542 7
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 0 0 1 5.669 11.338 0.064 201.99 2 3.5 1.5
2 1 1 0 7.337 14.674 0.083 119.68 4 5.6 4.6
3 0 1 1 7.591 15.182 0.086 111.65 4 21.9 66.5
4 1 1 -1 9.262 18.525 0.104 74.27 4 6.5 3.9
5 1 1 1 9.32 18.64 0.105 73.33 4 10.3 9.6
6 0 2 0 10.103 20.206 0.114 62.08 2 0.5 0.0
7 2 0 0 10.698 21.397 0.121 55.13 2 12.5 5.3
8 0 0 2 11.395 22.789 0.128 48.35 2 97.4 283.9
9 1 2 0 11.447 22.894 0.129 47.89 4 35.0 72.8
10 0 2 1 11.614 23.229 0.131 46.46 4 52.9 161.1
11 2 1 0 11.848 23.696 0.133 44.56 4 22.2 27.2
12 2 0 -1 12.094 24.189 0.136 42.68 2 30.2 24.1
13 2 0 1 12.184 24.367 0.137 42.03 2 172.6 775.4
14 0 1 2 12.484 24.967 0.14 39.93 4 37.3 68.6
15 1 2 -1 12.787 25.574 0.144 37.97 4 107.1 538.9
16 1 2 1 12.83 25.659 0.144 37.7 4 16.3 12.4
17 2 1 -1 13.129 26.258 0.147 35.91 4 70.4 220.4
18 2 1 1 13.211 26.423 0.148 35.44 4 14.1 8.7
19 1 1 -2 13.566 27.132 0.152 33.5 4 81.9 278.1
20 1 1 2 13.646 27.292 0.153 33.09 4 37.9 58.7
21 2 2 0 14.798 29.596 0.166 27.84 4 108.5 405.7
22 0 2 2 15.32 30.64 0.172 25.85 4 46.2 68.2
23 2 0 -2 15.659 31.318 0.175 24.66 2 62.9 60.5
24 2 0 2 15.8 31.6 0.177 24.19 2 28.8 12.4
25 2 2 -1 15.859 31.717 0.177 24.0 4 1.1 0.0
26 2 2 1 15.928 31.856 0.178 23.77 4 8.8 2.3
27 1 3 0 16.202 32.404 0.181 22.91 4 69.6 137.6
28 1 2 -2 16.228 32.457 0.181 22.83 4 18.7 9.9
29 1 2 2 16.296 32.593 0.182 22.62 4 56.7 90.0
30 0 3 1 16.324 32.648 0.182 22.54 4 90.5 228.5
31 2 1 -2 16.488 32.975 0.184 22.06 4 61.0 101.6
32 2 1 2 16.622 33.244 0.186 21.67 4 52.9 75.1
33 3 1 0 16.974 33.949 0.19 20.71 4 39.4 39.7
34 1 3 -1 17.201 34.402 0.192 20.12 4 27.4 18.7
35 1 3 1 17.233 34.467 0.192 20.04 4 28.8 20.6
36 0 0 3 17.238 34.477 0.192 20.02 2 6.2 0.5
37 3 1 -1 17.904 35.808 0.2 18.43 4 73.0 121.7
38 3 1 1 17.998 35.996 0.201 18.22 4 45.5 46.7
39 0 1 3 18.002 36.005 0.201 18.21 4 32.3 23.6
40 2 2 -2 18.779 37.557 0.209 16.6 4 41.7 35.8
41 1 1 -3 18.781 37.562 0.209 16.59 4 43.8 39.5
42 2 3 0 18.786 37.571 0.209 16.58 4 5.4 0.6
43 1 1 3 18.871 37.742 0.21 16.42 4 46.3 43.7
44 2 2 2 18.899 37.797 0.21 16.37 4 62.1 78.1
45 0 3 2 19.211 38.422 0.214 15.78 4 5.7 0.6
46 3 2 0 19.215 38.429 0.214 15.78 4 41.4 33.5
47 2 3 -1 19.655 39.311 0.218 15.0 4 10.4 2.0
48 2 3 1 19.713 39.426 0.219 14.91 4 38.6 27.6
49 1 3 -2 19.963 39.927 0.222 14.49 4 5.3 0.5
50 1 3 2 20.02 40.041 0.222 14.4 4 17.5 5.5
51 3 2 -1 20.055 40.109 0.223 14.35 4 14.5 3.7
52 3 2 1 20.14 40.28 0.223 14.21 4 10.5 1.9
53 0 2 3 20.144 40.288 0.224 14.21 4 21.2 7.9
54 2 0 -3 20.384 40.769 0.226 13.84 2 47.5 19.3
55 0 4 0 20.539 41.078 0.228 13.61 2 116.3 113.9
56 2 0 3 20.552 41.105 0.228 13.59 2 83.2 58.2
57 3 1 -2 20.558 41.115 0.228 13.58 4 94.8 151.0
58 3 1 2 20.724 41.449 0.23 13.34 4 49.9 41.1
59 1 2 -3 20.854 41.709 0.231 13.15 4 74.8 91.1
60 1 2 3 20.937 41.874 0.232 13.03 4 95.9 148.3
61 2 1 -3 21.05 42.101 0.233 12.88 4 36.0 20.7
62 2 1 3 21.214 42.428 0.235 12.66 4 2.9 0.1
63 1 4 0 21.279 42.559 0.236 12.57 4 14.9 3.4
64 0 4 1 21.376 42.752 0.237 12.44 4 12.4 2.4
65 4 0 0 21.794 43.589 0.241 11.91 2 42.6 13.4
66 1 4 -1 22.08 44.161 0.244 11.57 4 37.4 20.0
67 1 4 1 22.107 44.213 0.244 11.54 4 10.7 1.6
68 2 3 -2 22.145 44.29 0.245 11.49 4 44.5 28.1
69 2 3 2 22.25 44.5 0.246 11.37 4 101.0 143.7
70 4 1 0 22.427 44.853 0.248 11.17 4 14.1 2.7
71 3 2 -2 22.495 44.99 0.248 11.09 4 51.3 36.1
72 3 3 0 22.527 45.054 0.249 11.06 4 56.8 44.2
73 4 0 -1 22.542 45.084 0.249 11.04 2 74.3 37.7
74 4 0 1 22.645 45.291 0.25 10.93 2 39.9 10.8
75 3 2 2 22.65 45.3 0.25 10.92 4 48.8 32.2
76 2 2 -3 22.954 45.909 0.253 10.6 4 61.7 50.0
77 2 2 3 23.107 46.214 0.255 10.44 4 61.4 48.8
78 4 1 -1 23.158 46.316 0.255 10.39 4 52.5 35.4
79 4 1 1 23.259 46.518 0.256 10.29 4 12.2 1.9
80 3 3 -1 23.268 46.537 0.256 10.28 4 4.6 0.3
81 0 0 4 23.274 46.548 0.256 10.27 2 123.2 96.5
82 3 3 1 23.344 46.688 0.257 10.2 4 28.0 9.9
83 0 3 3 23.348 46.695 0.257 10.2 4 34.8 15.3
84 2 4 0 23.386 46.773 0.258 10.16 4 29.7 11.1
85 0 4 2 23.744 47.487 0.261 9.82 4 2.8 0.1
86 0 1 4 23.875 47.751 0.263 9.69 4 41.7 20.8
87 1 3 -3 23.982 47.963 0.264 9.6 4 4.4 0.2
88 1 3 3 24.056 48.111 0.265 9.53 4 17.1 3.5
89 2 4 -1 24.12 48.24 0.265 9.47 4 25.4 7.6
90 2 4 1 24.169 48.338 0.266 9.43 4 37.7 16.6
91 4 2 0 24.245 48.489 0.267 9.36 4 8.4 0.8
92 1 4 -2 24.382 48.764 0.268 9.24 4 18.5 3.9
93 1 4 2 24.431 48.862 0.268 9.2 4 10.1 1.2
94 3 1 -3 24.473 48.946 0.269 9.16 4 12.4 1.7
95 1 1 -4 24.487 48.974 0.269 9.15 4 5.2 0.3
96 1 1 4 24.584 49.168 0.27 9.07 4 32.6 11.9
97 3 1 3 24.691 49.382 0.271 8.98 4 22.1 5.4
98 4 0 -2 24.774 49.549 0.272 8.91 2 4.9 0.1
99 4 2 -1 24.935 49.87 0.274 8.78 4 11.1 1.3
100 4 0 2 24.967 49.933 0.274 8.76 2 54.9 16.3
101 4 2 1 25.031 50.062 0.275 8.71 4 25.8 7.2
102 4 1 -2 25.349 50.698 0.278 8.46 4 25.4 6.8
103 3 3 -2 25.464 50.928 0.279 8.37 4 5.7 0.3
104 4 1 2 25.538 51.076 0.28 8.32 4 4.0 0.2
105 3 3 2 25.605 51.211 0.281 8.27 4 23.7 5.7
106 0 2 4 25.615 51.23 0.281 8.26 4 43.1 19.0
107 2 0 -4 25.792 51.583 0.282 8.13 2 17.9 1.6
108 2 3 -3 25.883 51.766 0.283 8.07 4 24.9 6.2
109 2 0 4 25.978 51.957 0.284 8.0 2 9.4 0.4
110 2 3 3 26.023 52.046 0.285 7.97 4 18.1 3.2
111 3 2 -3 26.183 52.366 0.286 7.86 4 52.3 26.6
112 1 2 -4 26.196 52.393 0.287 7.85 4 48.0 22.4
113 2 4 -2 26.274 52.547 0.287 7.8 4 38.7 14.5
114 1 2 4 26.289 52.578 0.287 7.79 4 29.9 8.6
115 2 1 -4 26.35 52.7 0.288 7.74 4 0.6 0.0
116 2 4 2 26.366 52.732 0.288 7.73 4 44.2 18.7
117 3 2 3 26.391 52.782 0.289 7.72 4 72.4 50.1
118 2 1 4 26.534 53.068 0.29 7.62 4 5.6 0.3
119 3 4 0 26.61 53.22 0.291 7.57 4 60.7 34.5
120 1 5 0 26.633 53.266 0.291 7.56 4 103.4 100.1
121 0 5 1 26.714 53.429 0.292 7.51 4 61.4 35.1
122 4 2 -2 27.019 54.038 0.295 7.32 4 67.3 41.1
123 4 3 0 27.069 54.139 0.295 7.28 4 58.8 31.2
124 4 2 2 27.2 54.399 0.297 7.2 4 35.5 11.2
125 3 4 -1 27.268 54.537 0.297 7.16 4 91.2 73.8
126 1 5 -1 27.313 54.626 0.298 7.14 4 5.9 0.3
127 1 5 1 27.336 54.671 0.298 7.12 4 44.3 17.3
128 3 4 1 27.336 54.672 0.298 7.12 4 8.2 0.6
129 0 4 3 27.339 54.678 0.298 7.12 4 5.7 0.3
130 4 3 -1 27.709 55.418 0.302 6.91 4 3.8 0.1
131 4 3 1 27.798 55.596 0.303 6.86 4 41.3 14.5
132 1 4 -3 27.906 55.813 0.304 6.8 4 32.6 8.9
133 1 4 3 27.973 55.946 0.304 6.76 4 30.4 7.7
134 2 2 -4 27.978 55.956 0.305 6.76 4 1.4 0.0
135 2 2 4 28.155 56.309 0.306 6.66 4 39.4 12.8
136 5 1 0 28.185 56.369 0.307 6.65 4 72.1 42.8
137 4 0 -3 28.231 56.461 0.307 6.62 2 27.5 3.1
138 0 3 4 28.342 56.684 0.308 6.56 4 11.7 1.1
139 2 5 0 28.439 56.879 0.309 6.51 4 26.5 5.6
140 4 0 3 28.494 56.988 0.31 6.48 2 13.5 0.7
141 0 5 2 28.751 57.502 0.312 6.35 4 6.8 0.4
142 4 1 -3 28.756 57.513 0.312 6.35 4 43.0 14.5
143 5 1 -1 28.797 57.593 0.313 6.33 4 37.9 11.3
144 3 3 -3 28.873 57.746 0.313 6.29 4 39.7 12.3
145 1 3 -4 28.885 57.77 0.314 6.29 4 2.4 0.0
146 5 1 1 28.905 57.81 0.314 6.28 4 27.9 6.1
147 1 3 4 28.972 57.944 0.314 6.24 4 15.6 1.9
148 4 1 3 29.016 58.033 0.315 6.22 4 60.4 28.1
149 3 3 3 29.068 58.135 0.315 6.2 4 39.6 12.0
150 2 5 -1 29.08 58.161 0.315 6.19 4 8.2 0.5
151 2 5 1 29.124 58.247 0.316 6.17 4 2.9 0.1
152 3 4 -2 29.247 58.494 0.317 6.11 4 33.8 8.6
153 3 1 -4 29.296 58.593 0.318 6.09 4 16.2 2.0
154 1 5 -2 29.311 58.622 0.318 6.08 4 20.4 3.1
155 1 5 2 29.354 58.708 0.318 6.06 4 24.9 4.7
156 3 4 2 29.376 58.751 0.318 6.05 4 14.5 1.6
157 3 1 4 29.554 59.107 0.32 5.97 4 50.4 18.8
158 0 0 5 29.598 59.196 0.321 5.95 2 10.1 0.4
159 2 4 -3 29.629 59.258 0.321 5.94 4 2.2 0.0
160 4 3 -2 29.657 59.315 0.321 5.92 4 21.3 3.3
161 5 2 0 29.745 59.491 0.322 5.88 4 9.8 0.7
162 2 4 3 29.757 59.514 0.322 5.88 4 3.9 0.1
163 4 3 2 29.828 59.655 0.323 5.85 4 23.8 4.1
164 0 1 5 30.109 60.217 0.326 5.73 4 5.0 0.2
165 4 2 -3 30.298 60.597 0.327 5.65 4 58.1 23.6
166 5 2 -1 30.337 60.675 0.328 5.63 4 22.8 3.6
167 5 2 1 30.442 60.885 0.329 5.59 4 33.8 7.9
168 4 2 3 30.55 61.101 0.33 5.54 4 65.5 29.5
169 2 3 -4 30.563 61.125 0.33 5.54 4 45.0 13.9
170 1 1 -5 30.622 61.244 0.331 5.52 4 17.2 2.0
171 5 1 -2 30.691 61.381 0.331 5.49 4 10.0 0.7
172 4 4 0 30.719 61.437 0.332 5.48 4 21.4 3.1
173 1 1 5 30.727 61.453 0.332 5.47 4 5.7 0.2
174 2 3 4 30.73 61.46 0.332 5.47 4 20.3 2.8
175 3 2 -4 30.822 61.643 0.333 5.44 4 19.7 2.6
176 5 1 2 30.899 61.798 0.333 5.41 4 2.8 0.1
177 2 5 -2 30.995 61.99 0.334 5.37 4 7.6 0.4
178 3 2 4 31.071 62.142 0.335 5.34 4 29.9 5.9
179 2 5 2 31.078 62.156 0.335 5.34 4 16.0 1.7
180 3 5 0 31.298 62.596 0.337 5.26 4 5.1 0.2
181 4 4 -1 31.31 62.62 0.337 5.25 4 18.3 2.2
182 4 4 1 31.393 62.785 0.338 5.22 4 6.1 0.2
183 0 2 5 31.61 63.221 0.34 5.14 4 7.5 0.4
184 2 0 -5 31.744 63.489 0.342 5.09 2 111.4 39.2
185 0 6 0 31.754 63.507 0.342 5.09 2 64.9 13.3
186 3 5 -1 31.894 63.787 0.343 5.04 4 57.9 20.9
187 0 4 4 31.898 63.797 0.343 5.04 4 52.2 17.0
188 2 0 5 31.949 63.898 0.343 5.02 2 98.6 30.2
189 3 5 1 31.955 63.91 0.344 5.02 4 87.5 47.6
190 0 5 3 31.958 63.916 0.344 5.02 4 0.5 0.0
191 1 2 -5 32.11 64.22 0.345 4.97 4 28.1 4.8
192 5 2 -2 32.177 64.354 0.346 4.95 4 8.3 0.4
193 1 2 5 32.212 64.423 0.346 4.93 4 29.1 5.2
194 2 1 -5 32.235 64.47 0.346 4.93 4 36.5 8.1
195 5 3 0 32.242 64.485 0.346 4.92 4 0.2 0.0
196 1 6 0 32.303 64.605 0.347 4.9 4 14.0 1.2
197 0 6 1 32.375 64.75 0.348 4.88 4 35.4 7.6
198 5 2 2 32.38 64.76 0.348 4.88 4 8.2 0.4
199 3 4 -3 32.394 64.788 0.348 4.87 4 3.1 0.1
200 1 4 -4 32.405 64.811 0.348 4.87 4 11.9 0.9
201 2 1 5 32.438 64.876 0.348 4.86 4 49.8 14.9
202 1 5 -3 32.475 64.949 0.349 4.85 4 15.4 1.4
203 1 4 4 32.486 64.973 0.349 4.85 4 51.9 16.2
204 1 5 3 32.535 65.071 0.349 4.83 4 1.1 0.0
205 3 4 3 32.576 65.152 0.349 4.82 4 47.6 13.5
206 4 0 -4 32.672 65.344 0.35 4.79 2 65.1 12.6
207 4 3 -3 32.771 65.542 0.351 4.75 4 105.2 65.2
208 5 3 -1 32.809 65.617 0.352 4.74 4 18.2 1.9
209 1 6 -1 32.908 65.817 0.353 4.71 4 5.4 0.2
210 5 3 1 32.909 65.818 0.353 4.71 4 24.7 3.5
211 1 6 1 32.928 65.857 0.353 4.71 4 0.5 0.0
212 4 0 4 32.994 65.988 0.353 4.69 2 13.5 0.5
213 4 3 3 33.012 66.025 0.354 4.68 4 84.3 41.2
214 4 4 -2 33.129 66.258 0.355 4.65 4 7.8 0.4
215 4 1 -4 33.155 66.31 0.355 4.64 4 19.6 2.2
216 3 3 -4 33.273 66.545 0.356 4.6 4 3.8 0.1
217 4 4 2 33.289 66.578 0.356 4.6 4 6.9 0.3
218 4 1 4 33.475 66.95 0.358 4.54 4 25.2 3.6
219 3 3 4 33.512 67.024 0.358 4.53 4 32.8 6.0
220 2 2 -5 33.683 67.367 0.36 4.49 4 24.2 3.2
221 3 5 -2 33.706 67.411 0.36 4.48 4 50.9 14.4
222 5 1 -3 33.74 67.481 0.361 4.47 4 51.8 14.9
223 3 5 2 33.825 67.649 0.361 4.45 4 57.2 18.0
224 6 0 0 33.843 67.686 0.362 4.44 2 55.0 8.3
225 2 2 5 33.882 67.764 0.362 4.43 4 16.5 1.5
226 2 6 0 33.921 67.842 0.362 4.42 4 84.4 39.0
227 2 4 -4 33.982 67.964 0.363 4.4 4 9.6 0.5
228 0 3 5 34.031 68.061 0.363 4.39 4 77.8 32.9
229 5 1 3 34.037 68.075 0.363 4.39 4 32.9 5.9
230 2 5 -3 34.059 68.118 0.364 4.38 4 25.7 3.6
231 2 4 4 34.14 68.28 0.364 4.36 4 10.0 0.5
232 2 5 3 34.178 68.355 0.365 4.35 4 30.9 5.1
233 0 6 2 34.203 68.406 0.365 4.34 4 17.3 1.6
234 6 1 0 34.318 68.635 0.366 4.31 4 36.5 7.1
235 6 0 -1 34.386 68.771 0.367 4.3 2 35.6 3.4
236 2 6 -1 34.503 69.005 0.368 4.27 4 7.0 0.3
237 6 0 1 34.504 69.007 0.368 4.27 2 35.7 3.4
238 1 3 -5 34.512 69.023 0.368 4.27 4 7.0 0.3
239 2 6 1 34.542 69.084 0.368 4.26 4 32.5 5.6
240 5 3 -2 34.576 69.152 0.368 4.25 4 41.2 8.9
241 4 2 -4 34.584 69.168 0.368 4.25 4 2.4 0.0
242 1 3 5 34.61 69.22 0.369 4.24 4 0.8 0.0
243 1 6 -2 34.713 69.425 0.37 4.21 4 30.8 5.0
244 1 6 2 34.752 69.504 0.37 4.21 4 4.7 0.1
245 5 3 2 34.772 69.544 0.37 4.2 4 7.5 0.3
246 6 1 -1 34.857 69.714 0.371 4.18 4 37.1 7.1
247 3 1 -5 34.865 69.731 0.371 4.18 4 53.6 14.9
248 4 2 4 34.898 69.795 0.371 4.17 4 39.3 8.0
249 6 1 1 34.974 69.949 0.372 4.15 4 4.2 0.1
250 4 5 0 35.072 70.145 0.373 4.13 4 16.3 1.4
251 5 2 -3 35.158 70.316 0.374 4.11 4 39.3 7.8
252 3 1 5 35.158 70.316 0.374 4.11 4 47.5 11.5
253 5 2 3 35.449 70.899 0.376 4.04 4 3.1 0.0
254 5 4 0 35.576 71.153 0.378 4.01 4 71.2 25.2
255 4 5 -1 35.626 71.252 0.378 4.0 4 3.5 0.1
256 4 5 1 35.703 71.407 0.379 3.98 4 2.9 0.0
257 6 2 0 35.725 71.45 0.379 3.98 4 18.2 1.6
258 2 3 -5 36.034 72.068 0.382 3.91 4 21.9 2.3
259 4 4 -3 36.081 72.163 0.382 3.9 4 19.7 1.9
260 6 0 -2 36.107 72.214 0.383 3.9 2 51.1 6.3
261 5 4 -1 36.117 72.234 0.383 3.89 4 35.9 6.2
262 0 5 4 36.179 72.357 0.383 3.88 4 14.7 1.0
263 5 4 1 36.213 72.427 0.383 3.87 4 40.6 7.9
264 2 3 5 36.226 72.453 0.384 3.87 4 33.9 5.5
265 6 2 -1 36.255 72.51 0.384 3.87 4 42.5 8.6
266 2 6 -2 36.26 72.52 0.384 3.87 4 35.4 6.0
267 3 2 -5 36.263 72.526 0.384 3.86 4 22.8 2.5
268 4 4 3 36.312 72.624 0.384 3.85 4 31.3 4.7
269 2 6 2 36.337 72.673 0.385 3.85 4 43.9 9.2
270 6 0 2 36.338 72.676 0.385 3.85 2 28.7 2.0
271 0 0 6 36.349 72.697 0.385 3.85 2 114.5 31.3
272 6 2 1 36.37 72.74 0.385 3.84 4 4.2 0.1
273 3 6 0 36.541 73.082 0.386 3.81 4 24.1 2.7
274 3 2 5 36.551 73.102 0.387 3.81 4 14.3 1.0
275 3 4 -4 36.561 73.123 0.387 3.8 4 9.7 0.4
276 6 1 -2 36.569 73.137 0.387 3.8 4 23.4 2.6
277 3 5 -3 36.646 73.292 0.387 3.79 4 42.9 8.6
278 1 5 -4 36.657 73.314 0.388 3.79 4 2.4 0.0
279 1 5 4 36.733 73.467 0.388 3.77 4 44.7 9.3
280 3 4 4 36.791 73.582 0.389 3.76 4 28.8 3.9
281 6 1 2 36.798 73.597 0.389 3.76 4 6.4 0.2
282 0 1 6 36.809 73.618 0.389 3.76 4 33.5 5.2
283 3 5 3 36.818 73.636 0.389 3.75 4 56.5 14.9
284 4 3 -4 36.909 73.818 0.39 3.74 4 26.8 3.3
285 3 6 -1 37.095 74.19 0.392 3.7 4 20.1 1.9
286 3 6 1 37.152 74.304 0.392 3.69 4 25.9 3.1
287 0 6 3 37.155 74.31 0.392 3.69 4 15.7 1.1
288 4 3 4 37.214 74.428 0.393 3.68 4 62.9 18.0
289 1 1 -6 37.265 74.531 0.393 3.67 4 42.9 8.4
290 0 4 5 37.289 74.579 0.393 3.67 4 16.4 1.2
291 4 5 -2 37.342 74.684 0.394 3.66 4 11.5 0.6
292 1 1 6 37.379 74.759 0.394 3.65 4 2.5 0.0
293 5 3 -3 37.468 74.936 0.395 3.63 4 41.6 7.8
294 4 5 2 37.494 74.988 0.395 3.63 4 3.2 0.0
295 1 6 -3 37.638 75.276 0.396 3.61 4 32.7 4.8
296 1 6 3 37.695 75.389 0.397 3.6 4 33.2 4.9
297 5 3 3 37.752 75.505 0.397 3.59 4 44.0 8.6
298 1 4 -5 37.753 75.506 0.397 3.59 4 8.3 0.3
299 5 4 -2 37.815 75.63 0.398 3.57 4 32.4 4.6
300 5 1 -4 37.821 75.642 0.398 3.57 4 58.9 15.4
301 1 4 5 37.848 75.695 0.398 3.57 4 4.7 0.1
302 6 2 -2 37.941 75.882 0.399 3.55 4 43.1 8.2
303 4 0 -5 37.974 75.948 0.399 3.55 2 59.6 7.8
304 5 4 2 38.004 76.009 0.4 3.54 4 43.4 8.3
305 6 3 0 38.021 76.042 0.4 3.54 4 10.8 0.5
306 2 5 -4 38.154 76.307 0.401 3.52 4 12.4 0.7
307 6 2 2 38.168 76.336 0.401 3.52 4 8.2 0.3
308 0 2 6 38.178 76.357 0.401 3.51 4 14.2 0.9
309 5 1 4 38.199 76.398 0.401 3.51 4 32.0 4.5
310 2 0 -6 38.283 76.565 0.402 3.5 2 48.4 5.1
311 2 5 4 38.305 76.609 0.402 3.49 4 4.0 0.1
312 4 0 5 38.351 76.703 0.403 3.49 2 59.9 7.8
313 1 7 0 38.386 76.772 0.403 3.48 4 22.8 2.2
314 4 1 -5 38.428 76.855 0.403 3.48 4 5.7 0.1
315 0 7 1 38.453 76.906 0.404 3.47 4 35.8 5.5
316 2 0 6 38.509 77.017 0.404 3.46 2 5.2 0.1
317 6 3 -1 38.539 77.079 0.404 3.46 4 25.7 2.8
318 3 3 -5 38.547 77.095 0.405 3.46 4 29.4 3.7
319 1 2 -6 38.629 77.258 0.405 3.44 4 53.2 12.1
320 6 3 1 38.652 77.304 0.405 3.44 4 16.7 1.2
321 2 1 -6 38.735 77.47 0.406 3.43 4 18.6 1.5
322 1 2 6 38.742 77.483 0.406 3.43 4 14.7 0.9
323 3 6 -2 38.796 77.593 0.407 3.42 4 27.7 3.2
324 4 1 5 38.804 77.607 0.407 3.42 4 13.9 0.8
325 3 3 5 38.829 77.658 0.407 3.41 4 27.3 3.2
326 3 6 2 38.909 77.818 0.408 3.4 4 17.2 1.2
327 6 0 -3 38.945 77.889 0.408 3.4 2 54.6 6.3
328 1 7 -1 38.95 77.899 0.408 3.4 4 0.1 0.0
329 2 1 6 38.96 77.921 0.408 3.4 4 6.0 0.2
330 1 7 1 38.968 77.937 0.408 3.39 4 24.9 2.6
331 2 6 -3 39.131 78.262 0.41 3.37 4 54.0 12.2
332 5 2 -4 39.178 78.356 0.41 3.36 4 5.7 0.1
333 2 4 -5 39.226 78.452 0.41 3.36 4 31.2 4.1
334 2 6 3 39.243 78.487 0.411 3.35 4 41.8 7.2
335 6 0 3 39.282 78.564 0.411 3.35 2 57.1 6.8
336 6 1 -3 39.395 78.789 0.412 3.33 4 6.7 0.2
337 2 4 5 39.413 78.826 0.412 3.33 4 29.7 3.6
338 5 2 4 39.552 79.104 0.413 3.31 4 18.5 1.4
339 5 5 0 39.682 79.364 0.414 3.3 4 81.3 27.0
340 6 1 3 39.731 79.462 0.415 3.29 4 6.5 0.2
341 4 2 -5 39.779 79.557 0.415 3.28 4 29.9 3.6
342 2 7 0 39.898 79.797 0.416 3.27 4 7.4 0.2
343 4 4 -4 40.077 80.155 0.418 3.25 4 11.7 0.5
344 2 2 -6 40.083 80.166 0.418 3.24 4 32.9 4.4
345 4 6 0 40.095 80.189 0.418 3.24 4 1.1 0.0
346 4 2 5 40.151 80.302 0.419 3.24 4 29.2 3.4
347 0 7 2 40.164 80.329 0.419 3.23 4 6.0 0.1
348 4 5 -3 40.169 80.338 0.419 3.23 4 5.4 0.1
349 6 3 -2 40.194 80.388 0.419 3.23 4 59.9 14.3
350 5 5 -1 40.204 80.407 0.419 3.23 4 3.8 0.1
351 5 5 1 40.296 80.593 0.42 3.22 4 7.7 0.2
352 2 2 6 40.306 80.613 0.42 3.22 4 21.6 1.9
353 4 4 4 40.375 80.75 0.42 3.21 4 12.9 0.7
354 4 5 3 40.392 80.784 0.421 3.21 4 7.4 0.2
355 6 3 2 40.417 80.834 0.421 3.2 4 46.1 8.4
356 0 3 6 40.427 80.855 0.421 3.2 4 3.8 0.1
357 2 7 -1 40.447 80.894 0.421 3.2 4 11.4 0.5
358 2 7 1 40.484 80.968 0.421 3.2 4 3.4 0.0
359 5 4 -3 40.623 81.246 0.423 3.18 4 4.1 0.1
360 4 6 -1 40.624 81.248 0.423 3.18 4 27.7 3.0
361 3 5 -4 40.633 81.266 0.423 3.18 4 6.2 0.2
362 1 7 -2 40.646 81.292 0.423 3.18 4 85.0 28.4
363 1 7 2 40.683 81.366 0.423 3.17 4 62.6 15.4
364 4 6 1 40.698 81.397 0.423 3.17 4 13.1 0.7
365 6 2 -3 40.737 81.474 0.424 3.17 4 0.6 0.0
366 3 5 4 40.856 81.711 0.425 3.15 4 9.3 0.3
367 1 3 -6 40.871 81.742 0.425 3.15 4 34.2 4.6
368 5 4 3 40.901 81.802 0.425 3.15 4 1.9 0.0
369 7 1 0 40.967 81.935 0.426 3.14 4 47.9 8.9
370 1 3 6 40.982 81.964 0.426 3.14 4 28.2 3.1
371 6 2 3 41.071 82.141 0.426 3.13 4 18.9 1.4
372 0 6 4 41.155 82.309 0.427 3.12 4 54.1 11.3
373 6 4 0 41.164 82.328 0.427 3.12 4 2.2 0.0
374 3 1 -6 41.187 82.373 0.427 3.12 4 62.1 14.9
375 0 5 5 41.339 82.679 0.429 3.1 4 60.6 14.1
376 5 3 -4 41.413 82.826 0.429 3.09 4 9.6 0.4
377 7 1 -1 41.467 82.933 0.43 3.09 4 30.5 3.6
378 3 1 6 41.52 83.039 0.43 3.08 4 33.1 4.2
379 7 1 1 41.596 83.192 0.431 3.08 4 31.5 3.8
380 3 6 -3 41.605 83.209 0.431 3.08 4 18.9 1.4
381 1 6 -4 41.615 83.23 0.431 3.07 4 21.9 1.8
382 6 4 -1 41.672 83.344 0.432 3.07 4 37.4 5.3
383 3 4 -5 41.68 83.36 0.432 3.07 4 26.4 2.7
384 1 6 4 41.689 83.378 0.432 3.07 4 22.3 1.9
385 3 6 3 41.771 83.542 0.432 3.06 4 7.7 0.2
386 5 3 4 41.782 83.564 0.433 3.06 4 35.1 4.7
387 6 4 1 41.783 83.566 0.433 3.06 4 15.3 0.9
388 1 5 -5 41.79 83.581 0.433 3.06 4 19.1 1.4
389 5 5 -2 41.851 83.702 0.433 3.05 4 56.5 12.1
390 1 5 5 41.883 83.765 0.433 3.05 4 13.3 0.7
391 3 4 5 41.957 83.913 0.434 3.04 4 50.9 9.8
392 4 3 -5 42.006 84.012 0.434 3.04 4 6.2 0.1
393 5 5 2 42.035 84.071 0.435 3.04 4 4.0 0.1
394 2 7 -2 42.12 84.241 0.435 3.03 4 11.9 0.5
395 2 7 2 42.194 84.388 0.436 3.02 4 39.2 5.8
396 4 6 -2 42.278 84.555 0.437 3.01 4 75.6 21.3
397 7 2 0 42.299 84.598 0.437 3.01 4 32.2 3.9
398 2 3 -6 42.307 84.614 0.437 3.01 4 10.7 0.4
399 4 3 5 42.374 84.749 0.437 3.0 4 15.2 0.9
400 3 7 0 42.39 84.78 0.438 3.0 4 11.2 0.5
401 4 6 2 42.425 84.85 0.438 3.0 4 66.9 16.6
402 3 2 -6 42.517 85.035 0.439 2.99 4 43.2 6.9
403 2 3 6 42.528 85.056 0.439 2.99 4 64.8 15.6
404 7 2 -1 42.796 85.592 0.441 2.97 4 1.8 0.0
405 6 0 -4 42.846 85.692 0.441 2.97 2 3.9 0.0
406 3 2 6 42.848 85.697 0.441 2.97 4 50.0 9.2
407 5 1 -5 42.88 85.76 0.442 2.96 4 39.9 5.8
408 3 7 -1 42.923 85.847 0.442 2.96 4 33.1 4.0
409 7 2 1 42.925 85.849 0.442 2.96 4 22.0 1.8
410 6 3 -3 42.955 85.91 0.442 2.96 4 16.5 1.0
411 3 7 1 42.978 85.957 0.443 2.96 4 4.2 0.1
412 0 7 3 42.981 85.962 0.443 2.96 4 16.4 1.0
413 2 6 -4 43.066 86.132 0.443 2.95 4 6.1 0.1
414 7 1 -2 43.087 86.175 0.443 2.95 4 52.3 10.0
415 2 6 4 43.213 86.426 0.444 2.94 4 40.1 5.9
416 2 5 -5 43.231 86.462 0.445 2.94 4 0.3 0.0
417 6 3 3 43.286 86.572 0.445 2.93 4 18.3 1.2
418 6 0 4 43.287 86.575 0.445 2.93 2 32.4 1.9
419 6 1 -4 43.288 86.576 0.445 2.93 4 3.6 0.0
420 6 4 -2 43.301 86.602 0.445 2.93 4 6.8 0.2
421 5 1 5 43.339 86.679 0.445 2.93 4 62.5 14.2
422 7 1 2 43.345 86.689 0.446 2.93 4 19.0 1.3
423 2 5 5 43.415 86.829 0.446 2.92 4 17.7 1.1
424 1 7 -3 43.448 86.896 0.446 2.92 4 48.1 8.4
425 1 7 3 43.503 87.006 0.447 2.92 4 66.9 16.2
426 6 4 2 43.521 87.042 0.447 2.92 4 7.7 0.2
427 0 4 6 43.532 87.063 0.447 2.92 4 33.2 4.0
428 6 1 4 43.729 87.458 0.449 2.9 4 52.1 9.8
429 0 0 7 43.747 87.495 0.449 2.9 2 9.9 0.2
430 1 4 -6 43.971 87.941 0.451 2.89 4 8.7 0.3
431 4 5 -4 44.069 88.137 0.451 2.88 4 7.7 0.2
432 1 4 6 44.081 88.161 0.452 2.88 4 36.8 4.8
433 4 0 -6 44.157 88.315 0.452 2.87 2 3.1 0.0
434 0 1 7 44.189 88.377 0.452 2.87 4 21.0 1.6
435 5 2 -5 44.204 88.408 0.453 2.87 4 11.8 0.5
436 4 5 4 44.362 88.724 0.454 2.86 4 31.7 3.6
437 7 2 -2 44.411 88.822 0.454 2.86 4 78.2 21.6
438 7 3 0 44.507 89.014 0.455 2.85 4 36.1 4.6
439 5 4 -4 44.508 89.015 0.455 2.85 4 7.1 0.2
440 5 6 0 44.561 89.123 0.455 2.85 4 9.9 0.3
441 0 8 0 44.563 89.125 0.455 2.85 2 74.4 9.8
442 3 7 -2 44.575 89.15 0.456 2.85 4 55.9 11.0
443 4 0 6 44.598 89.195 0.456 2.85 2 44.2 3.4
444 4 1 -6 44.598 89.197 0.456 2.85 4 2.0 0.0
445 5 5 -3 44.607 89.214 0.456 2.85 4 13.2 0.6
446 6 2 -4 44.611 89.223 0.456 2.85 4 20.0 1.4
447 1 1 -7 44.618 89.236 0.456 2.85 4 21.1 1.6
448 5 2 5 44.663 89.325 0.456 2.85 4 0.9 0.0
449 7 2 2 44.668 89.336 0.456 2.85 4 92.4 30.1
450 3 7 2 44.685 89.37 0.456 2.84 4 14.2 0.7
451 3 3 -6 44.724 89.449 0.457 2.84 4 32.2 3.7
452 1 1 7 44.746 89.493 0.457 2.84 4 12.6 0.6
453 5 4 4 44.874 89.749 0.458 2.83 4 34.0 4.1
454 5 5 3 44.882 89.764 0.458 2.83 4 17.9 1.1
455 2 7 -3 44.902 89.805 0.458 2.83 4 10.1 0.4
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 0 1 1 7.591 15.182 5.83088 66.5 8.6 8.6 5.6
2 1 1 1 9.32 18.64 4.75637 9.6 1.2 1.2 5.6
3 0 0 2 11.395 22.789 3.89885 283.9 36.6 36.7 5.6
4 1 2 0 11.447 22.894 3.88118 72.8 9.4 9.4 5.6
5 0 2 1 11.614 23.229 3.82608 161.1 20.8 20.8 5.6
6 2 1 0 11.848 23.696 3.75166 27.2 3.5 3.5 5.6
7 2 0 -1 12.094 24.189 3.67635 24.1 3.1 3.1 5.6
8 2 0 1 12.184 24.367 3.64984 775.4 100.0 100.0 5.6
9 0 1 2 12.484 24.967 3.56346 68.6 8.9 8.8 5.6
10 1 2 -1 12.787 25.574 3.48025 538.9 69.5 69.4 5.6
11 1 2 1 12.83 25.659 3.46893 12.4 1.6 1.6 5.6
12 2 1 -1 13.129 26.258 3.39119 220.4 28.4 28.4 5.6
13 2 1 1 13.211 26.423 3.37035 8.7 1.1 1.1 5.6
14 1 1 -2 13.566 27.132 3.28386 278.1 35.9 35.8 5.6
15 1 1 2 13.646 27.292 3.26492 58.7 7.6 7.6 5.6
16 2 2 0 14.798 29.596 3.01584 405.7 52.3 52.1 5.6
17 0 2 2 15.32 30.64 2.91544 68.2 8.8 8.8 5.6
18 2 0 -2 15.659 31.318 2.85379 60.5 7.8 7.8 5.6
19 2 0 2 15.8 31.6 2.82904 12.4 1.6 1.6 5.6
20 1 3 0 16.202 32.404 2.76062 147.5 19.0 18.9 5.6
21 0 3 1 16.324 32.648 2.74058 318.5 41.1 40.8 5.6
22 2 1 -2 16.488 32.975 2.71408 101.6 13.1 13.0 5.6
23 2 1 2 16.622 33.244 2.69277 75.1 9.7 9.6 5.6
24 3 1 0 16.974 33.949 2.63843 39.7 5.1 5.1 5.7
25 1 3 -1 17.201 34.402 2.60472 18.7 2.4 2.4 5.7
26 1 3 1 17.233 34.467 2.59997 21.1 2.7 2.7 5.7
27 3 1 -1 17.904 35.808 2.50558 121.7 15.7 15.5 5.7
28 3 1 1 17.998 35.996 2.49295 70.3 9.1 9.0 5.7
29 1 1 -3 18.781 37.562 2.39255 75.8 9.8 9.7 5.7
30 2 2 2 18.899 37.797 2.37819 121.7 15.7 15.5 5.7
31 3 2 0 19.215 38.429 2.34051 33.5 4.3 4.3 5.7
32 2 3 1 19.713 39.426 2.28358 27.6 3.6 3.5 5.7
33 0 2 3 20.144 40.288 2.23673 9.8 1.3 1.3 5.7
34 2 0 -3 20.384 40.769 2.21144 19.3 2.5 2.5 5.7
35 3 1 -2 20.558 41.115 2.19361 323.2 41.7 41.1 5.7
36 3 1 2 20.724 41.449 2.17672 41.1 5.3 5.2 5.7
37 1 2 -3 20.854 41.709 2.16375 91.1 11.8 11.6 5.7
38 1 2 3 20.937 41.874 2.1556 148.3 19.1 18.8 5.7
39 2 1 -3 21.05 42.101 2.14449 20.7 2.7 2.6 5.7
40 4 0 0 21.794 43.589 2.07467 13.4 1.7 1.7 5.7
41 1 4 -1 22.08 44.161 2.04913 21.7 2.8 2.7 5.7
42 2 3 -2 22.145 44.29 2.04344 28.1 3.6 3.6 5.7
43 2 3 2 22.25 44.5 2.0343 143.7 18.5 18.2 5.7
44 3 2 -2 22.495 44.99 2.01327 36.1 4.7 4.6 5.7
45 3 3 0 22.527 45.054 2.01056 81.9 10.6 10.4 5.7
46 3 2 2 22.65 45.3 2.00019 42.9 5.5 5.4 5.7
47 2 2 -3 22.954 45.909 1.97509 50.0 6.4 6.3 5.7
48 2 2 3 23.107 46.214 1.96274 48.8 6.3 6.2 5.7
49 4 1 -1 23.158 46.316 1.95867 35.4 4.6 4.5 5.7
50 0 0 4 23.274 46.548 1.94943 98.6 12.7 12.5 5.7
51 0 3 3 23.348 46.695 1.94363 25.2 3.2 3.2 5.7
52 2 4 0 23.386 46.773 1.94059 11.1 1.4 1.4 5.7
53 0 1 4 23.875 47.751 1.9031 20.8 2.7 2.6 5.7
54 2 4 1 24.169 48.338 1.88135 16.6 2.1 2.1 5.7
55 1 1 4 24.584 49.168 1.85152 11.9 1.5 1.5 5.7
56 4 0 2 24.967 49.933 1.82492 16.3 2.1 2.1 5.7
57 0 2 4 25.615 51.23 1.78173 24.8 3.2 3.1 5.8
58 3 2 -3 26.183 52.366 1.74571 49.0 6.3 6.1 5.8
59 2 4 -2 26.274 52.547 1.74012 23.1 3.0 2.9 5.8
60 3 2 3 26.391 52.782 1.73294 68.8 8.9 8.6 5.8
61 1 5 0 26.633 53.266 1.71834 134.6 17.4 16.9 5.8
62 0 5 1 26.714 53.429 1.71347 35.1 4.5 4.4 5.8
63 4 2 -2 27.019 54.038 1.6956 41.1 5.3 5.1 5.8
64 4 3 0 27.069 54.139 1.69267 31.2 4.0 3.9 5.8
65 4 2 2 27.2 54.399 1.68518 11.2 1.4 1.4 5.8
66 3 4 -1 27.268 54.537 1.68125 73.8 9.5 9.2 5.8
67 1 5 1 27.336 54.671 1.67744 18.2 2.4 2.3 5.8
68 4 3 1 27.798 55.596 1.65171 14.5 1.9 1.8 5.8
69 1 4 -3 27.906 55.813 1.6458 8.9 1.2 1.1 5.8
70 2 2 4 28.155 56.309 1.63246 12.8 1.7 1.6 5.8
71 5 1 0 28.185 56.369 1.63087 42.8 5.5 5.3 5.8
72 4 1 -3 28.756 57.513 1.60113 14.5 1.9 1.8 5.8
73 5 1 -1 28.797 57.593 1.59908 11.3 1.5 1.4 5.8
74 3 3 -3 28.873 57.746 1.59522 12.3 1.6 1.5 5.8
75 4 1 3 29.016 58.033 1.58801 28.1 3.6 3.5 5.8
76 3 3 3 29.068 58.135 1.58546 12.5 1.6 1.6 5.8
77 3 4 -2 29.247 58.494 1.57659 8.6 1.1 1.1 5.8
78 3 1 4 29.554 59.107 1.56169 18.8 2.4 2.3 5.8
79 4 2 -3 30.298 60.597 1.52681 23.6 3.0 2.9 5.8
80 5 2 1 30.442 60.885 1.52027 7.9 1.0 1.0 5.8
81 4 2 3 30.55 61.101 1.51542 43.4 5.6 5.4 5.8
82 2 0 -5 31.744 63.489 1.46405 52.5 6.8 6.5 5.9
83 3 5 -1 31.894 63.787 1.45791 37.9 4.9 4.7 5.9
84 3 5 1 31.955 63.91 1.45541 77.8 10.0 9.6 5.9
85 2 1 -5 32.235 64.47 1.44412 13.3 1.7 1.6 5.9
86 0 6 1 32.375 64.75 1.43854 8.0 1.0 1.0 5.9
87 2 1 5 32.438 64.876 1.43606 14.9 1.9 1.8 5.9
88 1 4 4 32.486 64.973 1.43415 17.6 2.3 2.2 5.9
89 3 4 3 32.576 65.152 1.43064 13.5 1.7 1.7 5.9
90 4 0 -4 32.672 65.344 1.42689 12.6 1.6 1.5 5.9
91 4 3 -3 32.771 65.542 1.42306 65.2 8.4 8.0 5.9
92 4 3 3 33.012 66.025 1.41382 41.2 5.3 5.1 5.9
93 3 5 -2 33.706 67.411 1.38808 17.6 2.3 2.2 5.9
94 5 1 -3 33.74 67.481 1.38682 14.9 1.9 1.8 5.9
95 3 5 2 33.825 67.649 1.38377 26.3 3.4 3.2 5.9
96 2 6 0 33.921 67.842 1.38031 39.0 5.0 4.8 5.9
97 0 3 5 34.031 68.061 1.3764 42.4 5.5 5.2 5.9
98 5 3 -2 34.576 69.152 1.35732 9.0 1.2 1.1 5.9
99 3 1 -5 34.865 69.731 1.34747 22.0 2.8 2.7 5.9
100 4 2 4 34.898 69.795 1.34638 8.0 1.0 1.0 5.9
101 3 1 5 35.158 70.316 1.33768 19.3 2.5 2.4 5.9
102 5 4 0 35.576 71.153 1.32398 25.2 3.2 3.1 5.9
103 6 0 -2 36.107 72.214 1.30712 14.4 1.9 1.7 5.9
104 5 4 1 36.213 72.427 1.30381 13.4 1.7 1.6 5.9
105 6 2 -1 36.255 72.51 1.30252 17.1 2.2 2.1 5.9
106 0 0 6 36.349 72.697 1.29962 47.2 6.1 5.7 6.0
107 3 5 -3 36.646 73.292 1.29053 8.7 1.1 1.1 6.0
108 1 5 4 36.733 73.467 1.28789 9.3 1.2 1.1 6.0
109 3 5 3 36.818 73.636 1.28535 24.1 3.1 2.9 6.0
110 4 3 4 37.214 74.428 1.27362 18.0 2.3 2.2 6.0
111 1 1 -6 37.265 74.531 1.27212 9.6 1.2 1.2 6.0
112 5 3 -3 37.468 74.936 1.26625 7.8 1.0 0.9 6.0
113 5 3 3 37.752 75.505 1.25812 8.9 1.1 1.1 6.0
114 5 1 -4 37.821 75.642 1.25617 20.0 2.6 2.4 6.0
115 6 2 -2 37.941 75.882 1.25279 8.2 1.1 1.0 6.0
116 4 0 -5 37.974 75.948 1.25187 7.8 1.0 0.9 6.0
117 5 4 2 38.004 76.009 1.25102 8.8 1.1 1.1 6.0
118 1 2 -6 38.629 77.258 1.23388 13.3 1.7 1.6 6.0
119 6 0 -3 38.945 77.889 1.22545 9.0 1.2 1.1 6.0
120 2 6 -3 39.131 78.262 1.22054 12.2 1.6 1.5 6.0
121 2 6 3 39.243 78.487 1.21761 11.3 1.5 1.4 6.0
122 5 5 0 39.682 79.364 1.20634 27.0 3.5 3.2 6.0
123 6 3 -2 40.194 80.388 1.19354 14.4 1.9 1.7 6.0
124 6 3 2 40.417 80.834 1.18807 9.0 1.2 1.1 6.1
125 1 7 -2 40.646 81.292 1.18253 31.6 4.1 3.8 6.1
126 1 7 2 40.683 81.366 1.18164 16.1 2.1 1.9 6.1
127 7 1 0 40.967 81.935 1.17487 12.0 1.5 1.4 6.1
128 0 6 4 41.155 82.309 1.17047 11.3 1.5 1.3 6.1
129 3 1 -6 41.187 82.373 1.16972 14.9 1.9 1.8 6.1
130 0 5 5 41.339 82.679 1.16618 14.1 1.8 1.7 6.1
131 6 4 -1 41.672 83.344 1.15855 9.9 1.3 1.2 6.1
132 5 5 -2 41.851 83.702 1.1545 12.1 1.6 1.4 6.1
133 3 4 5 41.957 83.913 1.15213 9.8 1.3 1.2 6.1
134 4 6 -2 42.278 84.555 1.14502 25.6 3.3 3.0 6.1
135 4 6 2 42.425 84.85 1.14179 16.6 2.1 2.0 6.1
136 2 3 6 42.528 85.056 1.13955 22.5 2.9 2.7 6.1
137 3 2 6 42.848 85.697 1.13266 9.2 1.2 1.1 6.1
138 7 1 -2 43.087 86.175 1.1276 10.0 1.3 1.2 6.1
139 5 1 5 43.339 86.679 1.12234 15.5 2.0 1.8 6.1
140 1 7 -3 43.448 86.896 1.12009 8.4 1.1 1.0 6.1
141 1 7 3 43.503 87.006 1.11895 20.4 2.6 2.4 6.1
142 6 1 4 43.729 87.458 1.11434 9.9 1.3 1.2 6.2
143 7 2 -2 44.411 88.822 1.10071 21.6 2.8 2.5 6.2
144 3 7 -2 44.575 89.15 1.09751 27.8 3.6 3.3 6.2
145 7 2 2 44.668 89.336 1.09571 30.8 4.0 3.6 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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