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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KYANITE
13, t-kyanite, at 37 kbar, f-kyanite
Al(2)SiO(5)
Triclinic P 1(-) Z = 4
R =0.068 NR =1113
11 .12 .1998
Ref.Str.:
Comodi P., Zanazzi P.F., Poli S., Schmidt M.W. (1997)
* Amer. Mineral., 82, 452-459
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.065 alpha = 90.12
b = 7.805 beta = 101.08
c = 5.537 gamma = 105.86
Unit cell volume (cub. angs.) = 287.74
Molar volume ( cub.cm/mol.) = 43.33
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.299 0.066 0.708 0.0 Si = 1.00
2 0.293 0.3319 0.1892 0.0 Si = 1.00
3 0.328 0.7051 0.46 0.01 Al = 1.00
4 0.297 0.6989 0.9495 0.0 Al = 1.00
5 0.102 0.3867 0.6409 0.0 Al = 1.00
6 0.113 0.9184 0.1653 0.01 Al = 1.00
7 0.109 0.148 0.13 0.0 O = 1.00
8 0.128 0.685 0.181 0.0 O = 1.00
9 0.276 0.454 0.951 0.01 O = 1.00
10 0.283 0.933 0.935 0.01 O = 1.00
11 0.113 0.152 0.666 0.0 O = 1.00
12 0.115 0.629 0.638 0.01 O = 1.00
13 0.284 0.444 0.429 0.01 O = 1.00
14 0.292 0.946 0.465 0.0 O = 1.00
15 0.504 0.275 0.245 0.01 O = 1.00
16 0.499 0.232 0.753 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.299 0.066 0.708
2 2 0.293 0.3319 0.1892
3 3 0.328 0.7051 0.46
4 4 0.297 0.6989 0.9495
5 5 0.102 0.3867 0.6409
6 6 0.113 0.9184 0.1653
7 7 0.109 0.148 0.13
8 8 0.128 0.685 0.181
9 9 0.276 0.454 0.951
10 10 0.283 0.933 0.935
11 11 0.113 0.152 0.666
12 12 0.115 0.629 0.638
13 13 0.284 0.444 0.429
14 14 0.292 0.946 0.465
15 15 0.504 0.275 0.245
16 16 0.499 0.232 0.753
17 1 0.701 0.934 0.292
18 2 0.707 0.6681 0.8108
19 3 0.672 0.2949 0.54
20 4 0.703 0.3011 0.0505
21 5 0.898 0.6133 0.3591
22 6 0.887 0.0816 0.8347
23 7 0.891 0.852 0.87
24 8 0.872 0.315 0.819
25 9 0.724 0.546 0.049
26 10 0.717 0.067 0.065
27 11 0.887 0.848 0.334
28 12 0.885 0.371 0.362
29 13 0.716 0.556 0.571
30 14 0.708 0.054 0.535
31 15 0.496 0.725 0.755
32 16 0.501 0.768 0.247
X-ray density (g/cm cub.) = 3.74
MU (1/cm) = 121.023 Mass attenuation coefficient (cm**2/g) = 32.365
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.1 4
1.6328 10
1.6114 11
1.6229 14
1.6125 16
2 Si 2.1 4
1.6346 7
1.6337 9
1.6095 13
1.6433 15
3 Al 2.316 6
1.8565 8
1.9164 12
1.9776 13
1.9659 14
1.8039 15
1.8315 16
4 Al 2.316 6
1.897 8
1.8765 9
1.8577 10
1.9199 12
1.8985 15
1.934 16
5 Al 2.316 6
1.8887 9
1.8589 11
1.8684 12
1.8702 13
2.0118 8
1.9331 12
6 Al 2.316 6
1.8104 7
1.8547 8
1.8963 10
1.8554 14
1.9921 7
1.9544 11
7 O 3.264 12
2.6453 9
2.6689 10
2.9625 11
2.5749 11
2.6913 13
2.7933 14
2.6416 15
2.6403 7
2.7499 8
2.6188 10
2.8113 11
3.076 12
8 O 3.264 11
2.7383 9
2.4954 10
2.5835 12
3.0175 12
2.6834 13
2.4416 14
2.7499 7
2.713 9
2.6399 11
2.8862 12
2.4887 16
9 O 3.264 12
2.6453 7
2.7383 8
2.6786 11
2.5029 12
2.6382 13
2.903 13
2.7255 15
2.9723 16
2.713 8
2.9873 9
2.6322 15
2.8411 16
10 O 3.264 12
2.6689 7
2.4954 8
2.651 11
2.7271 12
2.924 14
2.6169 14
3.0302 15
2.7285 16
2.6188 7
2.8999 10
2.7926 15
2.6619 16
11 O 3.264 12
2.5749 7
2.9625 7
2.6786 9
2.651 10
2.7373 13
2.6585 14
2.5733 16
2.8113 7
2.6399 8
2.8881 11
2.9706 12
2.7022 14
12 O 3.264 12
3.0175 8
2.5835 8
2.5029 9
2.7271 10
2.5132 13
2.717 14
3.076 7
2.8862 8
2.9706 11
2.505 12
2.6698 13
2.5401 15
13 O 3.264 12
2.6913 7
2.6834 8
2.903 9
2.6382 9
2.7373 11
2.5132 12
2.6301 15
2.933 16
2.6698 12
2.8834 13
2.7314 15
2.8716 16
14 O 3.264 12
2.7933 7
2.4416 8
2.6169 10
2.924 10
2.6585 11
2.717 12
2.9889 15
2.6399 16
2.7022 11
2.7759 14
2.8481 15
2.7142 16
15 O 3.264 12
2.6416 7
2.7255 9
3.0302 10
2.6301 13
2.9889 14
2.8393 16
2.7364 16
2.6322 9
2.7926 10
2.5401 12
2.7314 13
2.8481 14
16 O 3.264 12
2.9723 9
2.7285 10
2.5733 11
2.933 13
2.6399 14
2.7364 15
2.8393 15
2.4887 8
2.8411 9
2.6619 10
2.8716 13
2.7142 14
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 1 0 5.899 11.797 0.067 186.4 2 0.5 0.1
2 1 0 0 6.643 13.287 0.075 146.47 2 6.4 14.7
3 -1 1 0 7.561 15.122 0.085 112.56 2 7.9 17.1
4 0 0 1 8.163 16.327 0.092 96.25 2 0.6 0.1
5 -1 0 1 9.451 18.902 0.107 71.25 2 0.1 0.0
6 0 -1 1 9.811 19.622 0.111 65.96 2 0.2 0.0
7 1 1 0 10.071 20.141 0.114 62.49 2 14.9 33.4
8 0 1 1 10.372 20.744 0.117 58.79 2 25.9 95.1
9 -1 1 1 10.399 20.798 0.117 58.48 2 25.4 91.1
10 1 0 1 11.556 23.112 0.13 46.95 2 1.5 0.3
11 0 2 0 11.861 23.722 0.133 44.46 2 20.4 44.5
12 -1 2 0 11.878 23.756 0.134 44.33 2 20.5 45.2
13 1 -1 1 11.879 23.758 0.134 44.32 2 10.7 12.2
14 -1 -1 1 11.893 23.785 0.134 44.21 2 8.2 7.1
15 -2 1 0 13.03 26.06 0.146 36.49 2 18.8 31.0
16 2 0 0 13.378 26.756 0.15 34.51 2 72.1 433.1
17 1 1 1 14.059 28.118 0.158 31.06 2 57.9 251.4
18 0 -2 1 14.061 28.123 0.158 31.05 2 50.2 189.3
19 -1 2 1 14.097 28.194 0.158 30.88 2 45.0 151.2
20 -2 1 1 14.121 28.241 0.158 30.77 2 59.1 259.4
21 -2 0 1 14.243 28.486 0.16 30.21 2 6.4 3.0
22 1 -2 1 14.856 29.712 0.166 27.61 2 28.7 54.9
23 0 2 1 14.862 29.723 0.166 27.59 2 33.4 74.4
24 1 2 0 15.217 30.434 0.17 26.23 2 30.6 59.4
25 -2 2 0 15.258 30.516 0.171 26.08 2 29.8 55.8
26 2 1 0 16.149 32.298 0.181 23.07 2 13.3 9.9
27 -1 -2 1 16.334 32.668 0.183 22.51 2 1.5 0.1
28 -2 2 1 16.391 32.781 0.183 22.34 2 8.4 3.8
29 0 0 2 16.499 32.997 0.184 22.03 2 17.2 15.7
30 -1 0 2 16.521 33.043 0.185 21.96 2 17.0 15.3
31 2 -1 1 16.689 33.379 0.186 21.48 2 58.2 175.7
32 -2 -1 1 16.709 33.419 0.187 21.43 2 60.9 191.8
33 2 0 1 17.141 34.283 0.191 20.27 2 13.2 8.5
34 0 -1 2 17.24 34.479 0.192 20.02 2 20.1 19.5
35 -1 1 2 17.274 34.548 0.193 19.93 2 24.0 27.7
36 -1 3 0 17.311 34.622 0.193 19.84 2 23.2 25.9
37 0 1 2 17.912 35.824 0.2 18.42 2 61.5 168.5
38 -1 -1 2 17.921 35.842 0.2 18.39 2 49.7 109.5
39 0 3 0 17.957 35.914 0.2 18.31 2 61.9 169.4
40 1 2 1 18.341 36.681 0.204 17.48 2 15.3 9.9
41 2 -2 1 18.359 36.718 0.204 17.44 2 24.6 25.6
42 -1 3 1 19.111 38.221 0.213 15.97 2 1.1 0.0
43 1 0 2 19.112 38.224 0.213 15.97 2 33.5 43.2
44 1 -1 2 19.163 38.326 0.213 15.87 2 59.6 136.3
45 -2 0 2 19.172 38.344 0.213 15.85 2 33.5 43.1
46 -2 1 2 19.235 38.469 0.214 15.74 2 66.5 168.0
47 -2 3 0 19.259 38.519 0.214 15.7 2 61.4 142.7
48 0 -3 1 19.383 38.767 0.215 15.47 2 39.4 58.0
49 1 -3 1 19.39 38.78 0.216 15.46 2 40.2 60.2
50 -3 1 0 19.472 38.944 0.216 15.32 2 0.4 0.0
51 2 1 1 19.586 39.173 0.218 15.12 2 3.8 0.5
52 -3 1 1 19.663 39.326 0.218 14.99 2 6.1 1.3
53 0 -2 2 19.925 39.851 0.221 14.56 2 23.5 19.4
54 -1 2 2 19.967 39.933 0.222 14.49 2 29.6 30.8
55 0 3 1 20.293 40.585 0.225 13.98 2 26.5 23.7
56 3 0 0 20.308 40.616 0.225 13.95 2 24.7 20.5
57 -2 3 1 20.344 40.687 0.226 13.9 2 28.0 26.4
58 -3 0 1 20.344 40.688 0.226 13.9 2 6.1 1.3
59 2 2 0 20.47 40.941 0.227 13.71 2 31.9 33.7
60 -3 2 0 20.523 41.046 0.228 13.63 2 36.4 43.6
61 -2 -2 1 20.785 41.57 0.23 13.25 2 33.1 35.0
62 -3 2 1 20.852 41.703 0.231 13.15 2 29.4 27.5
63 1 1 2 20.944 41.887 0.232 13.02 2 38.3 46.1
64 -2 -1 2 20.989 41.978 0.233 12.96 2 48.4 73.4
65 1 3 0 20.992 41.983 0.233 12.96 2 47.6 70.9
66 1 -2 2 21.086 42.171 0.234 12.83 2 8.9 2.4
67 -1 -2 2 21.102 42.204 0.234 12.81 2 10.5 3.4
68 0 2 2 21.104 42.209 0.234 12.8 2 11.6 4.1
69 -2 2 2 21.162 42.324 0.234 12.73 2 15.8 7.7
70 -1 -3 1 21.711 43.422 0.24 12.01 2 5.6 0.9
71 2 -3 1 21.729 43.458 0.24 11.99 2 2.9 0.2
72 3 -1 1 22.734 45.468 0.251 10.83 2 38.3 38.4
73 -3 -1 1 22.757 45.514 0.251 10.81 2 42.5 47.2
74 3 1 0 22.859 45.719 0.252 10.7 2 4.4 0.5
75 2 -1 2 23.141 46.281 0.255 10.4 2 28.5 20.5
76 -3 1 2 23.236 46.473 0.256 10.31 2 17.9 8.0
77 -3 3 0 23.25 46.5 0.256 10.29 2 19.0 9.0
78 -1 4 0 23.251 46.503 0.256 10.29 2 119.0 352.0
79 2 2 1 23.501 47.002 0.259 10.05 2 30.6 22.7
80 3 -2 1 23.535 47.07 0.259 10.01 2 25.6 15.8
81 1 3 1 23.589 47.179 0.26 9.96 2 10.6 2.7
82 3 0 1 23.607 47.214 0.26 9.95 2 7.4 1.3
83 2 0 2 23.619 47.238 0.26 9.93 2 118.7 338.0
84 -3 3 1 23.68 47.359 0.261 9.88 2 15.9 6.1
85 -3 0 2 23.703 47.407 0.261 9.85 2 121.3 350.3
86 0 -3 2 24.011 48.021 0.264 9.57 2 4.6 0.5
87 -1 3 2 24.056 48.111 0.265 9.53 2 2.5 0.1
88 0 4 0 24.272 48.545 0.267 9.34 2 24.7 13.7
89 1 2 2 24.309 48.618 0.267 9.3 2 5.3 0.6
90 -2 4 0 24.309 48.618 0.267 9.3 2 20.9 9.8
91 2 -2 2 24.311 48.622 0.267 9.3 2 11.7 3.1
92 -2 -2 2 24.34 48.68 0.268 9.28 2 10.1 2.3
93 -3 2 2 24.412 48.824 0.268 9.22 2 6.4 0.9
94 1 -3 2 24.52 49.039 0.269 9.12 2 8.6 1.6
95 -2 3 2 24.597 49.193 0.27 9.06 2 5.1 0.6
96 -1 0 3 24.737 49.473 0.272 8.94 2 1.0 0.0
97 1 -4 1 24.792 49.584 0.272 8.9 2 15.6 5.2
98 -1 4 1 24.817 49.635 0.272 8.88 2 25.4 13.8
99 0 0 3 25.213 50.426 0.277 8.56 2 8.9 1.6
100 0 -4 1 25.282 50.564 0.277 8.51 2 2.2 0.1
101 -2 4 1 25.343 50.686 0.278 8.46 2 1.1 0.0
102 -1 1 3 25.408 50.816 0.279 8.41 2 0.2 0.0
103 -1 -3 2 25.525 51.051 0.28 8.33 2 4.0 0.3
104 0 3 2 25.536 51.073 0.28 8.32 2 0.9 0.0
105 0 -1 3 25.619 51.238 0.281 8.26 2 6.1 0.7
106 -1 -1 3 25.639 51.277 0.281 8.24 2 10.2 2.1
107 2 1 2 25.675 51.35 0.281 8.22 2 2.1 0.1
108 2 3 0 25.723 51.446 0.282 8.18 2 11.1 2.4
109 -3 -1 2 25.746 51.491 0.282 8.17 2 11.0 2.4
110 -2 -3 1 25.864 51.729 0.283 8.08 2 3.4 0.2
111 3 -3 1 25.891 51.782 0.283 8.06 2 4.5 0.4
112 3 1 1 26.025 52.05 0.285 7.97 2 64.5 80.0
113 -4 1 1 26.111 52.222 0.286 7.91 2 61.8 72.8
114 -2 0 3 26.241 52.483 0.287 7.82 2 10.9 2.2
115 0 4 1 26.27 52.54 0.287 7.8 2 11.5 2.5
116 2 -4 1 26.28 52.561 0.287 7.79 2 15.0 4.3
117 0 1 3 26.356 52.712 0.288 7.74 2 21.2 8.4
118 -2 1 3 26.412 52.823 0.289 7.7 2 17.2 5.5
119 -4 1 0 26.434 52.869 0.289 7.69 2 8.1 1.2
120 -3 -2 1 26.531 53.062 0.29 7.62 2 6.6 0.8
121 -4 2 1 26.604 53.208 0.291 7.58 2 17.1 5.3
122 3 2 0 26.743 53.486 0.292 7.49 2 1.2 0.0
123 -4 2 0 26.803 53.606 0.293 7.45 2 4.6 0.4
124 2 -3 2 26.968 53.935 0.294 7.35 2 2.5 0.1
125 -3 3 2 27.071 54.141 0.295 7.28 2 14.2 3.5
126 -4 0 1 27.132 54.264 0.296 7.25 2 11.8 2.4
127 1 4 0 27.197 54.393 0.297 7.21 2 1.5 0.0
128 -3 4 0 27.265 54.529 0.297 7.17 2 1.8 0.1
129 1 -1 3 27.518 55.035 0.3 7.02 2 32.0 17.4
130 0 -2 3 27.526 55.051 0.3 7.01 2 41.6 29.3
131 4 0 0 27.565 55.13 0.3 6.99 2 9.0 1.4
132 -1 2 3 27.57 55.14 0.3 6.99 2 29.8 15.0
133 -2 -1 3 27.573 55.146 0.3 6.98 2 33.6 19.0
134 1 0 3 27.597 55.194 0.301 6.97 2 10.3 1.8
135 -1 -4 1 27.675 55.35 0.301 6.93 2 0.3 0.0
136 -3 4 1 27.766 55.532 0.302 6.88 2 8.8 1.3
137 -1 -2 3 28.005 56.01 0.305 6.74 2 25.1 10.2
138 -2 2 3 28.065 56.131 0.305 6.71 2 22.1 7.9
139 2 3 1 28.438 56.876 0.309 6.51 2 3.0 0.1
140 3 -1 2 28.515 57.029 0.31 6.47 2 43.4 29.5
141 -4 3 1 28.557 57.113 0.31 6.45 2 4.4 0.3
142 -4 1 2 28.627 57.253 0.311 6.42 2 38.1 22.4
143 -4 3 0 28.632 57.264 0.311 6.41 2 33.8 17.7
144 1 3 2 28.813 57.626 0.313 6.32 2 18.0 5.0
145 -2 -3 2 28.832 57.665 0.313 6.31 2 9.8 1.5
146 1 -2 3 28.892 57.785 0.314 6.28 2 1.3 0.0
147 0 2 3 28.919 57.838 0.314 6.27 2 7.2 0.8
148 2 2 2 29.068 58.136 0.315 6.2 2 26.1 10.2
149 0 -4 2 29.073 58.146 0.315 6.2 2 40.7 24.8
150 1 -4 2 29.075 58.15 0.315 6.19 2 42.3 26.8
151 3 -2 2 29.086 58.171 0.316 6.19 2 35.7 19.1
152 -1 4 2 29.121 58.242 0.316 6.17 2 43.2 27.9
153 1 1 3 29.123 58.245 0.316 6.17 2 55.4 45.7
154 -3 -2 2 29.124 58.249 0.316 6.17 2 32.5 15.7
155 -2 4 2 29.152 58.303 0.316 6.16 2 44.9 29.9
156 -4 2 2 29.204 58.409 0.317 6.13 2 30.5 13.8
157 -3 1 3 29.226 58.453 0.317 6.12 2 53.8 42.8
158 3 0 2 29.374 58.749 0.318 6.05 2 13.7 2.7
159 -4 0 2 29.476 58.952 0.319 6.01 2 16.3 3.9
160 1 4 1 29.494 58.988 0.32 6.0 2 29.8 12.9
161 -3 0 3 29.513 59.025 0.32 5.99 2 1.8 0.0
162 4 -1 1 29.534 59.067 0.32 5.98 2 14.1 2.9
163 3 -4 1 29.536 59.072 0.32 5.98 2 24.1 8.4
164 -4 -1 1 29.559 59.119 0.32 5.97 2 10.0 1.4
165 -1 5 0 29.619 59.237 0.321 5.94 2 6.1 0.5
166 3 2 1 29.72 59.44 0.322 5.9 2 6.4 0.6
167 4 -2 1 29.765 59.53 0.322 5.88 2 11.4 1.8
168 4 1 0 30.081 60.163 0.325 5.74 2 2.4 0.1
169 -2 5 0 30.083 60.166 0.325 5.74 2 22.8 7.2
170 -2 -2 3 30.273 60.546 0.327 5.66 2 13.2 2.4
171 -3 2 3 30.346 60.693 0.328 5.63 2 19.5 5.2
172 4 0 1 30.699 61.398 0.331 5.48 2 22.0 6.4
173 0 -3 3 30.743 61.487 0.332 5.47 2 1.7 0.0
174 1 -5 1 30.824 61.649 0.333 5.44 2 0.7 0.0
175 -1 -4 2 30.844 61.688 0.333 5.43 2 5.6 0.4
176 2 -4 2 30.849 61.698 0.333 5.43 2 11.3 1.7
177 0 4 2 30.862 61.724 0.333 5.42 2 2.7 0.1
178 0 5 0 30.92 61.84 0.334 5.4 2 53.6 37.5
179 -3 4 2 30.951 61.903 0.334 5.39 2 3.6 0.2
180 -1 3 3 31.012 62.024 0.334 5.36 2 29.0 10.9
181 3 -3 2 31.038 62.075 0.335 5.35 2 15.6 3.1
182 -2 3 3 31.045 62.09 0.335 5.35 2 29.7 11.4
183 -1 5 1 31.066 62.132 0.335 5.34 2 49.2 31.3
184 -2 5 1 31.093 62.185 0.335 5.33 2 48.5 30.3
185 2 -1 3 31.095 62.19 0.335 5.33 2 7.0 0.6
186 -4 3 2 31.16 62.32 0.336 5.31 2 4.8 0.3
187 -3 -1 3 31.181 62.362 0.336 5.3 2 5.2 0.3
188 -3 -3 1 31.341 62.682 0.338 5.24 2 0.4 0.0
189 4 -3 1 31.374 62.748 0.338 5.23 2 10.9 1.5
190 3 1 2 31.592 63.184 0.34 5.15 2 52.0 33.6
191 2 0 3 31.596 63.192 0.34 5.15 2 17.2 3.7
192 1 -3 3 31.6 63.2 0.34 5.15 2 40.5 20.4
193 -1 -3 3 31.618 63.237 0.34 5.14 2 37.9 17.8
194 3 3 0 31.64 63.281 0.341 5.13 2 45.5 25.6
195 2 4 0 31.665 63.329 0.341 5.12 2 19.4 4.6
196 0 -5 1 31.676 63.353 0.341 5.12 2 56.3 39.1
197 -2 -4 1 31.68 63.36 0.341 5.12 2 36.1 16.1
198 -4 -1 2 31.682 63.364 0.341 5.12 2 51.1 32.3
199 2 -5 1 31.701 63.403 0.341 5.11 2 54.3 36.4
200 -4 4 0 31.758 63.515 0.342 5.09 2 20.2 5.0
201 -4 4 1 31.795 63.59 0.342 5.08 2 25.8 8.1
202 2 -2 3 31.954 63.907 0.344 5.02 2 17.7 3.8
203 1 2 3 31.963 63.926 0.344 5.02 2 39.5 18.9
204 -3 5 0 32.267 64.534 0.347 4.92 2 55.6 36.8
205 0 3 3 32.691 65.381 0.351 4.78 2 24.6 7.0
206 0 5 1 32.749 65.498 0.351 4.76 2 1.9 0.0
207 -3 3 3 32.786 65.573 0.352 4.75 2 21.8 5.5
208 -3 5 1 32.827 65.653 0.352 4.74 2 1.4 0.0
209 4 1 1 33.174 66.349 0.355 4.63 2 32.8 12.1
210 -4 -2 1 33.204 66.408 0.355 4.62 2 35.0 13.7
211 -5 1 1 33.269 66.539 0.356 4.6 2 26.8 8.0
212 -5 2 1 33.283 66.565 0.356 4.6 2 11.9 1.6
213 2 1 3 33.422 66.845 0.358 4.56 2 32.2 11.4
214 2 3 2 33.553 67.107 0.359 4.52 2 10.5 1.2
215 -4 1 3 33.567 67.133 0.359 4.52 2 34.7 13.1
216 -3 -3 2 33.598 67.196 0.359 4.51 2 2.0 0.0
217 4 2 0 33.798 67.597 0.361 4.45 2 5.1 0.3
218 -1 0 4 33.812 67.623 0.361 4.45 2 152.3 249.4
219 -5 2 0 33.866 67.732 0.362 4.44 2 10.8 1.3
220 1 5 0 33.869 67.737 0.362 4.43 2 30.2 9.8
221 -5 1 0 33.957 67.914 0.363 4.41 2 15.5 2.6
222 2 -3 3 34.115 68.231 0.364 4.37 2 27.8 8.2
223 -3 -2 3 34.116 68.232 0.364 4.37 2 21.2 4.8
224 -2 -3 3 34.151 68.302 0.364 4.36 2 23.6 5.9
225 2 4 1 34.182 68.365 0.365 4.35 2 1.2 0.0
226 -1 -5 1 34.186 68.372 0.365 4.35 2 21.4 4.8
227 -4 2 3 34.199 68.399 0.365 4.35 2 31.9 10.7
228 1 4 2 34.217 68.434 0.365 4.34 2 139.1 203.0
229 -2 -4 2 34.227 68.454 0.365 4.34 2 147.2 227.0
230 3 -5 1 34.234 68.468 0.365 4.34 2 22.8 5.4
231 3 -4 2 34.235 68.469 0.365 4.34 2 147.4 227.7
232 -4 0 3 34.241 68.482 0.365 4.33 2 6.7 0.5
233 4 -4 1 34.251 68.501 0.365 4.33 2 20.0 4.2
234 -4 4 2 34.358 68.717 0.366 4.3 2 144.2 216.1
235 -1 -1 4 34.456 68.911 0.367 4.28 2 12.2 1.6
236 3 3 1 34.46 68.921 0.367 4.28 2 25.3 6.6
237 -1 1 4 34.471 68.941 0.367 4.28 2 10.5 1.1
238 1 -5 2 34.523 69.046 0.368 4.26 2 12.3 1.5
239 -5 0 1 34.563 69.126 0.368 4.25 2 10.2 1.1
240 -2 5 2 34.601 69.201 0.369 4.24 2 15.8 2.6
241 -5 3 1 34.602 69.205 0.369 4.24 2 24.4 6.1
242 0 0 4 34.61 69.219 0.369 4.24 2 0.3 0.0
243 -2 0 4 34.663 69.326 0.369 4.23 2 2.4 0.1
244 0 -1 4 34.843 69.685 0.371 4.18 2 18.8 3.6
245 -2 1 4 34.911 69.821 0.371 4.17 2 8.8 0.8
246 0 -5 2 34.927 69.855 0.372 4.16 2 28.3 8.1
247 4 -1 2 34.947 69.894 0.372 4.16 2 38.4 14.8
248 -1 5 2 34.978 69.956 0.372 4.15 2 31.4 9.9
249 3 2 2 35.025 70.049 0.373 4.14 2 34.1 11.6
250 4 -2 2 35.055 70.111 0.373 4.13 2 28.0 7.8
251 -5 3 0 35.072 70.145 0.373 4.13 2 43.9 19.2
252 0 -4 3 35.073 70.145 0.373 4.13 2 6.1 0.4
253 -5 1 2 35.073 70.147 0.373 4.13 2 46.0 21.1
254 -4 -2 2 35.102 70.205 0.373 4.12 2 27.7 7.6
255 -2 4 3 35.164 70.329 0.374 4.11 2 19.4 3.8
256 -5 2 2 35.189 70.379 0.374 4.1 2 29.2 8.4
257 5 0 0 35.341 70.682 0.375 4.06 2 139.8 191.9
258 1 -4 3 35.474 70.949 0.377 4.03 2 1.0 0.0
259 -1 4 3 35.536 71.073 0.377 4.02 2 0.6 0.0
260 0 1 4 35.664 71.327 0.378 3.99 2 2.8 0.1
261 -2 -1 4 35.701 71.403 0.379 3.98 2 15.3 2.3
262 2 -5 2 35.75 71.501 0.379 3.97 2 24.3 5.7
263 -3 5 2 35.853 71.706 0.38 3.95 2 18.4 3.2
264 1 3 3 35.955 71.91 0.381 3.93 2 3.6 0.1
265 -4 5 0 36.003 72.006 0.382 3.92 2 17.5 2.9
266 1 5 1 36.016 72.033 0.382 3.92 2 0.3 0.0
267 3 -1 3 36.077 72.154 0.382 3.9 2 39.8 14.9
268 -4 3 3 36.107 72.215 0.383 3.9 2 4.7 0.2
269 4 0 2 36.118 72.237 0.383 3.89 2 0.2 0.0
270 -4 5 1 36.14 72.28 0.383 3.89 2 1.4 0.0
271 -4 -1 3 36.189 72.377 0.383 3.88 2 40.1 15.1
272 -5 0 2 36.236 72.472 0.384 3.87 2 0.9 0.0
273 -1 -4 3 36.292 72.584 0.384 3.86 2 3.2 0.1
274 0 -2 4 36.352 72.703 0.385 3.85 2 8.2 0.6
275 -1 -2 4 36.37 72.741 0.385 3.84 2 7.7 0.6
276 -1 2 4 36.4 72.8 0.385 3.84 2 18.9 3.3
277 -3 4 3 36.411 72.822 0.385 3.83 2 19.2 3.4
278 -2 2 4 36.433 72.866 0.385 3.83 2 19.6 3.5
279 4 -3 2 36.439 72.879 0.386 3.83 2 5.5 0.3
280 2 2 3 36.475 72.951 0.386 3.82 2 4.2 0.2
281 3 -2 3 36.481 72.962 0.386 3.82 2 16.2 2.4
282 -1 6 0 36.499 72.999 0.386 3.82 2 19.0 3.3
283 -2 6 0 36.521 73.042 0.386 3.81 2 21.8 4.4
284 -5 3 2 36.578 73.157 0.387 3.8 2 0.7 0.0
285 4 2 1 36.829 73.658 0.389 3.75 2 18.2 3.0
286 1 -1 4 36.84 73.68 0.389 3.75 2 12.3 1.4
287 5 -2 1 36.884 73.767 0.39 3.74 2 42.5 16.4
288 3 0 3 36.94 73.879 0.39 3.73 2 2.3 0.0
289 -1 -5 2 36.94 73.88 0.39 3.73 2 3.3 0.1
290 -3 1 4 36.958 73.916 0.39 3.73 2 13.3 1.6
291 0 5 2 36.963 73.927 0.39 3.73 2 12.9 1.5
292 1 0 4 37.008 74.017 0.391 3.72 2 44.8 18.0
293 -3 -4 1 37.029 74.059 0.391 3.71 2 1.2 0.0
294 5 -1 1 37.072 74.144 0.391 3.71 2 4.5 0.2
295 -5 -1 1 37.101 74.202 0.392 3.7 2 0.9 0.0
296 -3 0 4 37.112 74.223 0.392 3.7 2 45.0 18.1
297 -5 4 1 37.165 74.329 0.392 3.69 2 21.0 3.9
298 3 4 0 37.406 74.813 0.394 3.65 2 26.3 6.1
299 2 -4 3 37.475 74.95 0.395 3.63 2 17.5 2.7
300 1 -6 1 37.49 74.98 0.395 3.63 2 19.1 3.2
301 0 4 3 37.507 75.014 0.395 3.63 2 11.7 1.2
302 -5 4 0 37.521 75.042 0.395 3.63 2 33.6 9.9
303 -2 6 1 37.542 75.083 0.396 3.62 2 26.1 5.9
304 2 -6 1 37.901 75.802 0.399 3.56 2 6.9 0.4
305 -1 6 1 37.91 75.82 0.399 3.56 2 4.2 0.2
306 -4 -3 1 37.911 75.822 0.399 3.56 2 36.3 11.4
307 1 -2 4 37.926 75.853 0.399 3.56 2 25.3 5.5
308 5 -3 1 37.95 75.9 0.399 3.55 2 39.9 13.6
309 5 1 0 37.957 75.915 0.399 3.55 2 19.6 3.3
310 0 2 4 37.96 75.919 0.399 3.55 2 22.4 4.3
311 -2 -2 4 37.982 75.964 0.399 3.55 2 20.3 3.5
312 -3 2 4 38.058 76.116 0.4 3.53 2 17.9 2.7
313 0 6 0 38.069 76.138 0.4 3.53 2 15.0 1.9
314 -3 6 0 38.133 76.266 0.401 3.52 2 12.9 1.4
315 3 -3 3 38.136 76.272 0.401 3.52 2 10.3 0.9
316 -3 -3 3 38.187 76.374 0.401 3.51 2 6.3 0.3
317 -2 -5 1 38.2 76.401 0.401 3.51 2 3.9 0.1
318 4 -5 1 38.269 76.538 0.402 3.5 2 0.5 0.0
319 2 5 0 38.286 76.571 0.402 3.5 2 52.6 23.3
320 1 1 4 38.426 76.852 0.403 3.48 2 13.8 1.6
321 5 0 1 38.509 77.018 0.404 3.46 2 5.8 0.3
322 -3 -1 4 38.514 77.028 0.404 3.46 2 6.9 0.4
323 4 1 2 38.523 77.047 0.404 3.46 2 28.3 6.7
324 3 -5 2 38.545 77.089 0.404 3.46 2 8.6 0.6
325 4 3 0 38.573 77.147 0.405 3.45 2 27.4 6.3
326 -5 -1 2 38.631 77.262 0.405 3.44 2 21.8 3.9
327 0 -6 1 38.66 77.319 0.405 3.44 2 11.5 1.1
328 -4 5 2 38.67 77.34 0.406 3.44 2 3.6 0.1
329 -3 6 1 38.753 77.507 0.406 3.43 2 18.1 2.7
330 2 4 2 39.001 78.002 0.409 3.39 2 3.0 0.1
331 -3 -4 2 39.036 78.072 0.409 3.38 2 2.7 0.1
332 3 1 3 39.038 78.076 0.409 3.38 2 2.1 0.0
333 4 -4 2 39.046 78.092 0.409 3.38 2 0.5 0.0
334 -2 -4 3 39.072 78.144 0.409 3.38 2 28.8 6.8
335 0 -3 4 39.079 78.158 0.409 3.38 2 11.7 1.1
336 -2 3 4 39.173 78.346 0.41 3.36 2 22.8 4.2
337 -5 4 2 39.189 78.378 0.41 3.36 2 3.1 0.1
338 -4 4 3 39.217 78.433 0.41 3.36 2 19.8 3.2
339 -5 1 3 39.219 78.437 0.41 3.36 2 0.1 0.0
340 -4 -2 3 39.335 78.67 0.411 3.34 2 0.8 0.0
341 -5 2 3 39.429 78.857 0.412 3.33 2 15.7 2.0
342 -1 -3 4 39.485 78.97 0.413 3.32 2 42.7 14.6
343 -1 3 4 39.528 79.056 0.413 3.32 2 48.0 18.5
344 3 3 2 39.551 79.102 0.413 3.31 2 4.5 0.2
345 -4 -3 2 39.618 79.237 0.414 3.3 2 2.2 0.0
346 0 6 1 39.844 79.689 0.416 3.27 2 31.0 7.6
347 3 -6 1 39.878 79.756 0.416 3.27 2 19.8 3.1
348 3 4 1 40.146 80.291 0.419 3.24 2 20.9 3.4
349 1 -3 4 40.235 80.47 0.419 3.23 2 49.7 19.2
350 5 -4 1 40.238 80.476 0.419 3.23 2 5.1 0.2
351 -5 0 3 40.24 80.481 0.419 3.23 2 6.9 0.4
352 -2 5 3 40.312 80.624 0.42 3.22 2 0.2 0.0
353 2 -1 4 40.359 80.718 0.42 3.21 2 1.0 0.0
354 -3 3 4 40.378 80.757 0.421 3.21 2 43.6 14.8
355 1 -5 3 40.405 80.81 0.421 3.21 2 40.1 12.4
356 0 -5 3 40.406 80.813 0.421 3.21 2 44.8 15.5
357 1 5 2 40.471 80.941 0.421 3.2 2 14.7 1.7
358 -2 -5 2 40.473 80.946 0.421 3.2 2 5.2 0.2
359 -4 1 4 40.524 81.048 0.422 3.19 2 1.7 0.0
360 2 3 3 40.66 81.319 0.423 3.18 2 20.0 3.1
361 2 5 1 40.725 81.449 0.423 3.17 2 15.4 1.8
362 -5 -2 1 40.804 81.608 0.424 3.16 2 31.1 7.4
363 1 -6 2 40.823 81.646 0.424 3.16 2 10.1 0.8
364 -5 3 3 40.865 81.731 0.425 3.15 2 13.5 1.4
365 -6 2 1 40.891 81.781 0.425 3.15 2 23.9 4.3
366 -5 5 1 40.891 81.782 0.425 3.15 2 11.2 1.0
367 -2 6 2 40.903 81.807 0.425 3.15 2 2.5 0.0
368 2 0 4 40.907 81.814 0.425 3.15 2 23.1 4.1
369 3 -4 3 40.994 81.988 0.426 3.14 2 23.2 4.1
370 1 4 3 40.997 81.995 0.426 3.14 2 28.5 6.2
371 2 -2 4 41.035 82.07 0.426 3.13 2 11.1 0.9
372 -1 5 3 41.051 82.103 0.426 3.13 2 56.2 23.9
373 1 2 4 41.053 82.107 0.426 3.13 2 5.2 0.2
374 -4 0 4 41.058 82.115 0.426 3.13 2 24.1 4.4
375 -3 5 3 41.124 82.248 0.427 3.12 2 53.4 21.5
376 -3 -2 4 41.125 82.251 0.427 3.12 2 8.0 0.5
377 -5 5 0 41.14 82.281 0.427 3.12 2 42.9 13.9
378 5 1 1 41.154 82.309 0.427 3.12 2 3.2 0.1
379 1 6 0 41.172 82.343 0.427 3.12 2 10.7 0.9
380 -4 2 4 41.214 82.428 0.428 3.12 2 2.5 0.0
381 -6 1 1 41.262 82.524 0.428 3.11 2 7.7 0.4
382 -4 6 0 41.276 82.553 0.428 3.11 2 12.4 1.2
383 -1 -6 1 41.371 82.742 0.429 3.1 2 27.2 5.5
384 0 3 4 41.434 82.867 0.43 3.09 2 30.7 7.1
385 -2 -3 4 41.441 82.883 0.43 3.09 2 39.1 11.4
386 -4 6 1 41.505 83.01 0.43 3.09 2 33.3 8.3
387 4 3 1 41.573 83.146 0.431 3.08 2 11.6 1.0
388 0 -6 2 41.588 83.177 0.431 3.08 2 9.5 0.7
389 2 -6 2 41.605 83.21 0.431 3.08 2 10.2 0.8
390 -1 6 2 41.643 83.287 0.431 3.07 2 6.9 0.4
391 -3 6 2 41.71 83.42 0.432 3.07 2 12.4 1.1
392 5 2 0 41.736 83.472 0.432 3.06 2 26.7 5.3
393 -6 3 1 41.74 83.481 0.432 3.06 2 8.6 0.5
394 -6 2 0 41.813 83.625 0.433 3.06 2 23.3 4.0
395 2 -5 3 41.951 83.903 0.434 3.04 2 13.1 1.3
396 -1 -5 3 41.955 83.911 0.434 3.04 2 13.6 1.4
397 4 2 2 42.102 84.205 0.435 3.03 2 3.6 0.1
398 5 -2 2 42.145 84.29 0.436 3.03 2 7.0 0.4
399 -5 -2 2 42.201 84.401 0.436 3.02 2 2.7 0.1
400 -6 1 0 42.28 84.559 0.437 3.01 2 1.5 0.0
401 -6 2 2 42.297 84.594 0.437 3.01 2 1.6 0.0
402 3 2 3 42.322 84.645 0.437 3.01 2 32.3 7.6
403 4 -1 3 42.336 84.673 0.437 3.01 2 12.6 1.2
404 4 -2 3 42.342 84.683 0.437 3.01 2 9.9 0.7
405 5 -1 2 42.424 84.849 0.438 3.0 2 8.7 0.6
406 -5 -1 3 42.474 84.947 0.438 3.0 2 18.2 2.4
407 -6 3 0 42.562 85.124 0.439 2.99 2 2.0 0.0
408 -6 1 2 42.569 85.138 0.439 2.99 2 10.5 0.8
409 2 1 4 42.67 85.341 0.44 2.98 2 5.5 0.2
410 -4 -1 4 42.806 85.612 0.441 2.97 2 1.7 0.0
411 4 -5 2 42.819 85.639 0.441 2.97 2 5.6 0.2
412 -6 0 1 42.848 85.697 0.441 2.97 2 8.8 0.6
413 2 -3 4 42.924 85.849 0.442 2.96 2 16.8 2.0
414 -5 5 2 42.967 85.934 0.442 2.96 2 9.7 0.7
415 0 -4 4 42.968 85.936 0.442 2.96 2 76.7 42.0
416 -2 4 4 43.074 86.149 0.443 2.95 2 61.9 27.3
417 5 -3 2 43.081 86.162 0.443 2.95 2 9.4 0.6
418 -4 3 4 43.116 86.232 0.444 2.95 2 12.8 1.2
419 -6 3 2 43.239 86.478 0.445 2.94 2 7.6 0.4
420 1 6 1 43.295 86.59 0.445 2.93 2 27.0 5.1
421 0 5 3 43.327 86.655 0.445 2.93 2 22.0 3.4
422 -3 -4 3 43.336 86.671 0.445 2.93 2 4.4 0.1
423 4 -6 1 43.37 86.739 0.446 2.93 2 29.4 6.1
424 -4 5 3 43.472 86.943 0.447 2.92 2 21.4 3.2
425 -5 4 3 43.505 87.01 0.447 2.92 2 10.2 0.7
426 4 0 3 43.544 87.089 0.447 2.91 2 6.0 0.3
427 4 -3 3 43.56 87.121 0.447 2.91 2 24.8 4.3
428 -3 -5 1 43.62 87.241 0.448 2.91 2 31.8 7.1
429 -4 -3 3 43.627 87.253 0.448 2.91 2 26.9 5.1
430 -4 -4 1 43.642 87.283 0.448 2.91 2 16.8 2.0
431 5 -5 1 43.709 87.418 0.449 2.9 2 36.9 9.5
432 1 -4 4 43.725 87.451 0.449 2.9 2 17.3 2.1
433 -1 -4 4 43.747 87.495 0.449 2.9 2 22.4 3.5
434 -2 7 0 43.751 87.501 0.449 2.9 2 2.6 0.0
435 -6 4 1 43.8 87.6 0.449 2.9 2 2.5 0.0
436 -1 4 4 43.804 87.607 0.449 2.9 2 10.8 0.8
437 -3 4 4 43.881 87.762 0.45 2.89 2 10.7 0.8
438 -1 -6 2 43.888 87.777 0.45 2.89 2 4.8 0.2
439 5 0 2 43.916 87.832 0.45 2.89 2 29.6 6.1
440 0 6 2 43.918 87.836 0.45 2.89 2 3.1 0.1
441 3 -6 2 43.922 87.843 0.45 2.89 2 8.6 0.5
442 6 0 0 43.958 87.916 0.451 2.89 2 2.0 0.0
443 -4 6 2 44.051 88.102 0.451 2.88 2 2.0 0.0
444 -6 0 2 44.053 88.105 0.451 2.88 2 30.8 6.6
445 3 5 0 44.081 88.162 0.452 2.88 2 15.0 1.6
446 -1 7 0 44.11 88.22 0.452 2.88 2 5.7 0.2
447 -1 0 5 44.114 88.227 0.452 2.88 2 0.1 0.0
448 4 4 0 44.383 88.765 0.454 2.86 2 57.0 22.5
449 -6 4 0 44.521 89.042 0.455 2.85 2 63.5 27.8
450 -2 0 5 44.528 89.057 0.455 2.85 2 9.7 0.6
451 -1 -1 5 44.615 89.23 0.456 2.85 2 0.3 0.0
452 -1 1 5 44.823 89.645 0.458 2.84 2 16.8 1.9
453 -2 7 1 44.829 89.658 0.458 2.84 2 2.3 0.0
454 -2 1 5 44.857 89.715 0.458 2.84 2 19.7 2.7
455 1 3 4 44.858 89.717 0.458 2.84 2 6.2 0.3
456 -3 -3 4 44.916 89.832 0.458 2.83 2 9.4 0.6
457 -3 7 0 44.925 89.851 0.458 2.83 2 8.5 0.5
458 1 -7 1 44.965 89.931 0.459 2.83 2 7.0 0.3
459 5 2 1 44.978 89.956 0.459 2.83 2 22.7 3.5
460 2 -7 1 44.983 89.967 0.459 2.83 2 8.4 0.5
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 6.643 13.287 6.65822 14.7 2.2 2.3 5.6
2 -1 1 0 7.561 15.122 5.85401 17.1 2.6 2.7 5.6
3 1 1 0 10.071 20.141 4.40508 33.4 5.0 5.3 5.6
4 0 1 1 10.372 20.744 4.27851 186.1 27.9 29.4 5.6
5 -1 2 0 11.878 23.756 3.7423 109.1 16.3 17.2 5.6
6 -2 1 0 13.03 26.06 3.41643 31.0 4.6 4.9 5.6
7 2 0 0 13.378 26.756 3.32911 433.1 64.9 68.2 5.6
8 1 1 1 14.059 28.118 3.17089 440.7 66.0 69.3 5.6
9 -2 1 1 14.121 28.241 3.15736 410.6 61.5 64.5 5.6
10 0 2 1 14.862 29.723 3.00321 129.3 19.4 20.3 5.6
11 1 2 0 15.217 30.434 2.9347 59.4 8.9 9.3 5.6
12 -2 2 0 15.258 30.516 2.92701 55.8 8.4 8.8 5.6
13 2 1 0 16.149 32.298 2.76943 9.9 1.5 1.6 5.6
14 0 0 2 16.499 32.997 2.71234 31.0 4.6 4.9 5.6
15 -2 -1 1 16.709 33.419 2.67906 367.4 55.0 57.5 5.7
16 2 0 1 17.141 34.283 2.61352 8.5 1.3 1.3 5.7
17 0 -1 2 17.24 34.479 2.59905 19.5 2.9 3.0 5.7
18 -1 1 2 17.274 34.548 2.59404 27.7 4.1 4.3 5.7
19 -1 3 0 17.311 34.622 2.58866 25.9 3.9 4.0 5.7
20 0 1 2 17.912 35.824 2.50454 278.0 41.6 43.4 5.7
21 0 3 0 17.957 35.914 2.49844 169.4 25.4 26.4 5.7
22 2 -2 1 18.359 36.718 2.44555 35.5 5.3 5.5 5.7
23 1 0 2 19.112 38.224 2.3526 43.2 6.5 6.7 5.7
24 1 -1 2 19.163 38.326 2.34656 179.4 26.9 27.9 5.7
25 -2 1 2 19.235 38.469 2.33818 310.7 46.5 48.4 5.7
26 1 -3 1 19.39 38.78 2.32014 118.2 17.7 18.4 5.7
27 0 -2 2 19.925 39.851 2.26024 19.4 2.9 3.0 5.7
28 -1 2 2 19.967 39.933 2.25575 30.8 4.6 4.8 5.7
29 0 3 1 20.293 40.585 2.22102 44.2 6.6 6.9 5.7
30 -2 3 1 20.344 40.687 2.21568 27.6 4.1 4.3 5.7
31 2 2 0 20.47 40.941 2.20254 33.7 5.0 5.2 5.7
32 -3 2 0 20.523 41.046 2.19712 43.6 6.5 6.8 5.7
33 -2 -2 1 20.785 41.57 2.17066 35.0 5.2 5.4 5.7
34 -3 2 1 20.852 41.703 2.16401 27.5 4.1 4.3 5.7
35 1 1 2 20.944 41.887 2.15493 46.1 6.9 7.2 5.7
36 -2 -1 2 20.989 41.978 2.15048 144.3 21.6 22.4 5.7
37 0 2 2 21.104 42.209 2.13925 10.0 1.5 1.6 5.7
38 -2 2 2 21.162 42.324 2.1337 7.7 1.1 1.2 5.7
39 -3 -1 1 22.757 45.514 1.99128 85.6 12.8 13.2 5.7
40 2 -1 2 23.141 46.281 1.96005 20.5 3.1 3.2 5.7
41 -1 4 0 23.251 46.503 1.95124 369.0 55.3 57.0 5.7
42 2 2 1 23.501 47.002 1.93167 22.7 3.4 3.5 5.7
43 3 -2 1 23.535 47.07 1.92904 15.8 2.4 2.4 5.7
44 2 0 2 23.619 47.238 1.92258 338.0 50.6 52.2 5.7
45 -3 0 2 23.703 47.407 1.91611 356.3 53.4 55.0 5.7
46 0 4 0 24.272 48.545 1.87383 13.7 2.1 2.1 5.7
47 -2 4 0 24.309 48.618 1.87115 12.9 1.9 2.0 5.7
48 -1 4 1 24.817 49.635 1.83518 19.0 2.8 2.9 5.7
49 3 1 1 26.025 52.05 1.75558 80.0 12.0 12.3 5.8
50 -4 1 1 26.111 52.222 1.75021 72.8 10.9 11.2 5.8
51 0 4 1 26.27 52.54 1.74034 9.0 1.3 1.4 5.8
52 0 1 3 26.356 52.712 1.73506 8.4 1.3 1.3 5.8
53 -2 1 3 26.412 52.823 1.73168 6.7 1.0 1.0 5.8
54 0 -2 3 27.526 55.051 1.66675 46.7 7.0 7.1 5.8
55 -2 -1 3 27.573 55.146 1.6641 37.1 5.6 5.7 5.8
56 -1 -2 3 28.005 56.01 1.64047 10.2 1.5 1.6 5.8
57 -2 2 3 28.065 56.131 1.63723 7.9 1.2 1.2 5.8
58 3 -1 2 28.515 57.029 1.61354 29.5 4.4 4.5 5.8
59 -4 1 2 28.627 57.253 1.60776 40.1 6.0 6.1 5.8
60 3 -2 2 29.086 58.171 1.58456 80.9 12.1 12.3 5.8
61 1 1 3 29.123 58.245 1.58273 89.3 13.4 13.6 5.8
62 -2 4 2 29.152 58.303 1.58128 29.9 4.5 4.6 5.8
63 -3 1 3 29.226 58.453 1.57759 56.6 8.5 8.6 5.8
64 1 4 1 29.494 58.988 1.56455 16.7 2.5 2.5 5.8
65 3 -4 1 29.536 59.072 1.56254 12.7 1.9 1.9 5.8
66 -2 5 0 30.083 60.166 1.53671 7.2 1.1 1.1 5.8
67 0 5 0 30.92 61.84 1.49906 37.5 5.6 5.7 5.8
68 -1 3 3 31.012 62.024 1.49505 14.0 2.1 2.1 5.8
69 -1 5 1 31.066 62.132 1.49272 73.6 11.0 11.1 5.8
70 3 1 2 31.592 63.184 1.47037 75.4 11.3 11.4 5.9
71 3 3 0 31.64 63.281 1.46836 30.3 4.5 4.6 5.9
72 0 -5 1 31.676 63.353 1.46686 124.0 18.6 18.7 5.9
73 -4 4 1 31.795 63.59 1.46197 8.1 1.2 1.2 5.9
74 1 2 3 31.963 63.926 1.45508 22.7 3.4 3.4 5.9
75 -3 5 0 32.267 64.534 1.44283 36.8 5.5 5.5 5.9
76 0 3 3 32.691 65.381 1.42617 7.0 1.0 1.0 5.9
77 4 1 1 33.174 66.349 1.40771 12.1 1.8 1.8 5.9
78 -4 -2 1 33.204 66.408 1.40659 13.7 2.1 2.1 5.9
79 -5 1 1 33.269 66.539 1.40415 9.6 1.4 1.4 5.9
80 2 1 3 33.422 66.845 1.39845 11.4 1.7 1.7 5.9
81 -4 1 3 33.567 67.133 1.39315 14.3 2.1 2.2 5.9
82 -1 0 4 33.812 67.623 1.38424 249.4 37.3 37.4 5.9
83 1 5 0 33.869 67.737 1.38218 11.0 1.7 1.7 5.9
84 2 -3 3 34.115 68.231 1.37339 12.9 1.9 1.9 5.9
85 -4 2 3 34.199 68.399 1.37042 15.5 2.3 2.3 5.9
86 3 -4 2 34.235 68.469 1.36918 667.8 100.0 100.0 5.9
87 -4 4 2 34.358 68.717 1.36486 216.1 32.4 32.3 5.9
88 3 3 1 34.46 68.921 1.36132 9.3 1.4 1.4 5.9
89 -5 3 1 34.602 69.205 1.35641 8.7 1.3 1.3 5.9
90 4 -1 2 34.947 69.894 1.34473 22.9 3.4 3.4 5.9
91 -1 5 2 34.978 69.956 1.34368 9.9 1.5 1.5 5.9
92 3 2 2 35.025 70.049 1.34212 11.6 1.7 1.7 5.9
93 -5 1 2 35.073 70.147 1.34049 56.1 8.4 8.4 5.9
94 -5 2 2 35.189 70.379 1.33664 12.2 1.8 1.8 5.9
95 5 0 0 35.341 70.682 1.33164 191.9 28.7 28.6 5.9
96 3 -1 3 36.077 72.154 1.30806 14.9 2.2 2.2 5.9
97 -4 -1 3 36.189 72.377 1.30457 15.1 2.3 2.2 5.9
98 -3 4 3 36.411 72.822 1.29769 10.5 1.6 1.6 6.0
99 -1 6 0 36.499 72.999 1.29499 10.1 1.5 1.5 6.0
100 5 -2 1 36.884 73.767 1.28339 16.4 2.4 2.4 6.0
101 1 0 4 37.008 74.017 1.27968 18.0 2.7 2.7 6.0
102 -3 0 4 37.112 74.223 1.27663 18.1 2.7 2.7 6.0
103 -5 4 0 37.521 75.042 1.26471 17.0 2.6 2.5 6.0
104 -4 -3 1 37.911 75.822 1.25363 16.8 2.5 2.5 6.0
105 5 -3 1 37.95 75.9 1.25255 21.2 3.2 3.1 6.0
106 2 5 0 38.286 76.571 1.24322 23.3 3.5 3.4 6.0
107 4 1 2 38.523 77.047 1.23673 7.3 1.1 1.1 6.0
108 -2 -4 3 39.072 78.144 1.2221 7.9 1.2 1.2 6.0
109 -1 -3 4 39.485 78.97 1.21137 14.6 2.2 2.1 6.0
110 -1 3 4 39.528 79.056 1.21027 18.6 2.8 2.7 6.0
111 0 6 1 39.844 79.689 1.20224 7.6 1.1 1.1 6.0
112 1 -3 4 40.235 80.47 1.19253 19.8 3.0 2.9 6.0
113 0 -5 3 40.406 80.813 1.18833 42.7 6.4 6.2 6.1
114 -5 -2 1 40.804 81.608 1.17875 8.2 1.2 1.2 6.1
115 -6 2 1 40.891 81.781 1.17668 10.7 1.6 1.6 6.1
116 1 4 3 40.997 81.995 1.17416 10.2 1.5 1.5 6.1
117 -1 5 3 41.051 82.103 1.17289 28.5 4.3 4.2 6.1
118 -3 5 3 41.124 82.248 1.17119 35.9 5.4 5.2 6.1
119 -2 -3 4 41.441 82.883 1.16382 18.5 2.8 2.7 6.1
120 -4 6 1 41.505 83.01 1.16236 8.3 1.2 1.2 6.1
121 5 2 0 41.736 83.472 1.1571 7.0 1.0 1.0 6.1
122 3 2 3 42.322 84.645 1.14403 9.4 1.4 1.4 6.1
123 0 -4 4 42.968 85.936 1.13012 42.0 6.3 6.1 6.1
124 -2 4 4 43.074 86.149 1.12788 27.9 4.2 4.0 6.1
125 -3 -5 1 43.62 87.241 1.11655 14.2 2.1 2.0 6.2
126 5 -5 1 43.709 87.418 1.11473 11.6 1.7 1.7 6.2
127 -6 0 2 44.053 88.105 1.10781 8.1 1.2 1.2 6.2
128 4 4 0 44.383 88.765 1.10127 22.5 3.4 3.2 6.2
129 -6 4 0 44.521 89.042 1.09856 28.4 4.3 4.1 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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