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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EPIDOTE
3, t-epidote, at 15 K, f-epidote, s-epidote
Ca(2)Al(2.2)Fe(0.8)Si(3)O(13)H
Monoclinic P 2(1)/m Z = 2
R =0.0246 NR =2409
8 .2 .1993
Ref.Str.:
Kvick A., Pluth J.J., Richardson J.W., Smith J. (1988)
* Acta Cryst., B44, 351-355
Reserv:
Neutron diffraction method. T.V.Ushakovskaya
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.893 alpha = 90.0
b = 5.63 beta = 115.36
c = 10.15 gamma = 90.0
Unit cell volume (cub. angs.) = 459.21
Molar volume ( cub.cm/mol.) = 138.3
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.2 Al = 1.00
2 0.0 0.0 0.5 0.17 Al = 1.00
3 0.2937 0.25 0.2237 0.19 Fe = 1.00
4 0.7574 0.75 0.1518 0.31 Ca = 1.00
5 0.6066 0.75 0.4252 0.29 Ca = 1.00
6 0.3398 0.75 0.0482 0.15 Si = 1.00
7 0.684 0.25 0.275 0.2 Si = 1.00
8 0.1838 0.75 0.3184 0.17 Si = 1.00
9 0.2343 0.995 0.0419 0.36 O = 1.00
10 0.3036 0.9828 0.3551 0.21 O = 1.00
11 0.7947 0.0132 0.3401 0.4 O = 1.00
12 0.0519 0.25 0.1296 0.26 O = 1.00
13 0.0411 0.75 0.1453 0.25 O = 1.00
14 0.0667 0.75 0.407 0.29 O = 1.00
15 0.5155 0.75 0.1814 0.34 O = 1.00
16 0.5251 0.25 0.3092 0.56 O = 1.00
17 0.6277 0.25 0.0993 0.51 O = 1.00
18 0.082 0.25 0.4279 0.27 O = 1.00
19 0.5362 0.25 0.3238 1.29 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.0 0.0 0.5
3 3 0.2937 0.25 0.2237
4 4 0.7574 0.75 0.1518
5 5 0.6066 0.75 0.4252
6 6 0.3398 0.75 0.0482
7 7 0.684 0.25 0.275
8 8 0.1838 0.75 0.3184
9 9 0.2343 0.995 0.0419
10 10 0.3036 0.9828 0.3551
11 11 0.7947 0.0132 0.3401
12 12 0.0519 0.25 0.1296
13 13 0.0411 0.75 0.1453
14 14 0.0667 0.75 0.407
15 15 0.5155 0.75 0.1814
16 16 0.5251 0.25 0.3092
17 17 0.6277 0.25 0.0993
18 18 0.082 0.25 0.4279
19 19 0.5362 0.25 0.3238
20 1 0.0 0.5 0.0
21 2 0.0 0.5 0.5
22 3 0.7063 0.75 0.7763
23 4 0.2426 0.25 0.8482
24 5 0.3934 0.25 0.5748
25 6 0.6602 0.25 0.9518
26 7 0.316 0.75 0.725
27 8 0.8162 0.25 0.6816
28 9 0.7657 0.495 0.9581
29 10 0.6964 0.4828 0.6449
30 11 0.2053 0.5132 0.6599
31 12 0.9481 0.75 0.8704
32 13 0.9589 0.25 0.8547
33 14 0.9333 0.25 0.593
34 15 0.4845 0.25 0.8186
35 16 0.4749 0.75 0.6909
36 17 0.3723 0.75 0.9007
37 18 0.918 0.75 0.5721
38 19 0.4638 0.75 0.6762
39 9 0.2343 0.505 0.0419
40 10 0.3036 0.5172 0.3551
41 11 0.7947 0.4868 0.3401
42 9 0.7657 0.005 0.9581
43 10 0.6964 0.0172 0.6449
44 11 0.2053 0.9868 0.6599
X-ray density (g/cm cub.) = 3.49
MU (1/cm) = 291.414 Mass attenuation coefficient (cm**2/g) = 83.414
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Al 2.316 6
1.9406 9
1.8454 12
1.9566 13
1.8454 12
1.9566 13
1.9406 9
2 Al 2.316 6
1.8532 11
1.9249 14
1.8726 18
1.9249 14
1.8726 18
1.8532 11
3 Fe 2.592 6
2.2164 9
1.9871 10
1.9434 12
1.86 16
2.2164 9
1.9871 10
4 Ca 2.88 7
2.3271 11
2.5519 13
2.8589 14
2.2957 15
2.4609 9
2.3271 11
2.4609 9
5 Ca 2.88 8
2.8007 10
2.6413 11
2.2507 15
2.5193 10
2.5205 18
2.8007 10
2.6413 11
2.5193 10
6 Si 2.1 4
1.6536 9
1.5683 15
1.641 17
1.6536 9
7 Si 2.1 4
1.6208 11
1.5924 16
1.6332 17
1.6208 11
8 Si 2.1 4
1.6283 10
1.6694 13
1.6408 14
1.6283 10
9 O 3.264 10
2.9688 10
2.5934 12
2.7392 13
2.6694 15
3.1776 16
2.7598 12
2.7722 13
2.6389 17
2.8714 9
2.7586 9
10 O 3.264 8
2.9688 9
2.8502 12
2.7282 13
2.7165 14
2.674 16
2.8173 18
3.0091 10
2.6209 10
11 O 3.264 9
2.6651 14
2.744 15
2.6416 16
2.6173 17
2.6742 18
2.679 14
2.5944 18
2.6668 11
2.9632 11
12 O 3.264 10
2.5934 9
2.8502 10
2.8234 13
2.8234 13
2.9222 18
2.7598 9
2.5486 13
2.5934 9
2.8502 10
2.7598 9
13 O 3.264 10
2.7392 9
2.7282 10
2.8234 12
2.8234 12
2.5663 14
2.7722 9
2.5486 12
2.7392 9
2.7282 10
2.7722 9
14 O 3.264 10
2.7165 10
2.6651 11
2.5663 13
2.8219 18
2.8219 18
2.679 11
2.5419 18
2.7165 10
2.6651 11
2.679 11
15 O 3.264 9
2.6694 9
2.744 11
3.0853 16
3.0853 16
3.2137 17
3.2137 17
2.5743 17
2.6694 9
2.744 11
16 O 3.264 9
3.1776 9
2.674 10
2.6416 11
3.0853 15
3.0853 15
2.6529 17
3.1776 9
2.674 10
2.6416 11
17 O 3.264 8
2.6173 11
3.2137 15
3.2137 15
2.6529 16
2.6389 9
2.5743 15
2.6173 11
2.6389 9
18 O 3.264 10
2.8173 10
2.6742 11
2.9222 12
2.8219 14
2.8219 14
2.5944 11
2.5419 14
2.8173 10
2.6742 11
2.5944 11
19 H 1.632 1
0.1387 16
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 4.818 9.635 0.055 280.58 2 6.3 10.6
2 1 0 0 5.5 11.001 0.062 214.7 2 9.6 18.8
3 1 0 -1 5.547 11.095 0.063 211.04 2 17.5 61.6
4 1 0 1 8.749 17.498 0.099 83.51 2 17.1 23.2
5 1 0 -2 8.839 17.677 0.1 81.78 2 61.7 295.5
6 0 1 1 9.238 18.476 0.104 74.68 4 1.3 0.2
7 1 1 0 9.617 19.233 0.108 68.74 4 18.7 45.7
8 1 1 -1 9.644 19.288 0.109 68.34 4 20.3 53.3
9 0 0 2 9.67 19.339 0.109 67.97 2 7.9 4.0
10 2 0 -1 9.976 19.953 0.112 63.72 2 3.1 0.6
11 2 0 0 11.052 22.105 0.124 51.52 2 66.0 213.0
12 2 0 -2 11.148 22.296 0.126 50.61 2 60.8 177.5
13 1 1 1 11.805 23.611 0.133 44.9 4 27.0 62.0
14 1 1 -2 11.873 23.745 0.134 44.37 4 21.5 38.9
15 0 1 2 12.512 25.023 0.141 39.75 4 1.4 0.1
16 2 1 -1 12.753 25.507 0.143 38.18 4 69.3 347.7
17 1 0 2 13.077 26.153 0.147 36.21 2 52.9 96.1
18 1 0 -3 13.179 26.357 0.148 35.62 2 16.4 9.1
19 2 1 0 13.622 27.245 0.153 33.21 4 11.5 8.4
20 2 1 -2 13.701 27.402 0.154 32.81 4 13.0 10.5
21 2 0 1 13.886 27.772 0.156 31.89 2 57.3 99.5
22 2 0 -3 14.04 28.08 0.157 31.15 2 8.9 2.3
23 0 0 3 14.593 29.186 0.164 28.69 2 29.7 23.9
24 3 0 -1 15.235 30.471 0.171 26.16 2 15.7 6.1
25 3 0 -2 15.289 30.577 0.171 25.96 2 71.6 126.3
26 1 1 2 15.332 30.663 0.172 25.81 4 15.7 12.0
27 1 1 -3 15.42 30.84 0.173 25.49 4 144.1 1004.0
28 0 2 0 15.881 31.761 0.178 23.92 2 137.1 426.8
29 2 1 1 16.037 32.073 0.179 23.42 4 40.3 72.1
30 2 1 -3 16.172 32.344 0.181 23.0 4 30.8 41.3
31 0 2 1 16.633 33.265 0.186 21.64 4 13.2 7.1
32 0 1 3 16.66 33.321 0.186 21.57 4 89.6 328.1
33 3 0 0 16.712 33.424 0.187 21.42 2 95.7 186.3
34 1 2 0 16.854 33.708 0.188 21.03 4 71.2 202.5
35 3 0 -3 16.859 33.717 0.188 21.02 2 15.2 4.6
36 1 2 -1 16.87 33.741 0.188 20.99 4 0.6 0.0
37 3 1 -1 17.234 34.467 0.192 20.04 4 107.5 439.3
38 3 1 -2 17.281 34.563 0.193 19.92 4 21.1 16.8
39 2 0 2 17.711 35.422 0.197 18.88 2 101.5 184.6
40 1 0 3 17.79 35.581 0.198 18.69 2 5.6 0.6
41 2 0 -4 17.897 35.794 0.199 18.45 2 16.9 5.0
42 1 0 -4 17.899 35.797 0.199 18.44 2 37.9 25.2
43 1 2 1 18.244 36.489 0.203 17.69 4 11.3 4.3
44 1 2 -2 18.29 36.579 0.204 17.59 4 47.6 75.5
45 3 1 0 18.569 37.138 0.207 17.01 4 22.3 16.0
46 3 1 -3 18.703 37.406 0.208 16.75 4 100.3 319.8
47 0 2 2 18.728 37.456 0.208 16.7 4 88.5 247.8
48 2 2 -1 18.897 37.794 0.21 16.37 4 35.0 38.0
49 3 0 1 19.409 38.818 0.216 15.43 2 21.2 6.6
50 2 1 2 19.485 38.971 0.217 15.3 4 22.8 15.1
51 2 2 0 19.518 39.036 0.217 15.24 4 16.8 8.2
52 1 1 3 19.559 39.117 0.217 15.17 4 43.3 54.0
53 2 2 -2 19.575 39.151 0.217 15.14 4 59.1 100.2
54 3 0 -4 19.624 39.248 0.218 15.06 2 32.6 15.1
55 0 0 4 19.629 39.258 0.218 15.05 2 7.0 0.7
56 2 1 -4 19.657 39.313 0.218 15.0 4 41.3 48.4
57 1 1 -4 19.658 39.317 0.218 15.0 4 32.6 30.1
58 4 0 -2 20.273 40.545 0.225 14.01 2 27.0 9.7
59 1 2 2 20.797 41.594 0.23 13.23 4 10.9 3.0
60 4 0 -1 20.832 41.665 0.231 13.18 2 114.8 164.7
61 1 2 -3 20.865 41.73 0.231 13.13 4 55.4 76.6
62 4 0 -3 20.941 41.881 0.232 13.03 2 29.8 11.0
63 3 1 1 21.062 42.124 0.233 12.86 4 0.2 0.0
64 3 1 -4 21.263 42.525 0.235 12.59 4 11.0 2.9
65 0 1 4 21.268 42.535 0.235 12.58 4 23.7 13.4
66 2 2 1 21.344 42.688 0.236 12.48 4 82.2 159.9
67 2 2 -3 21.45 42.9 0.237 12.35 4 91.1 194.2
68 0 2 3 21.836 43.673 0.241 11.86 4 79.3 141.6
69 4 1 -2 21.871 43.742 0.242 11.82 4 14.8 4.9
70 2 0 3 22.105 44.21 0.244 11.54 2 77.9 66.4
71 3 2 -1 22.296 44.591 0.246 11.32 4 32.4 22.5
72 2 0 -5 22.311 44.622 0.246 11.3 2 16.3 2.8
73 3 2 -2 22.334 44.668 0.247 11.27 4 20.8 9.3
74 4 1 -1 22.398 44.797 0.247 11.2 4 6.4 0.9
75 4 1 -3 22.501 45.001 0.248 11.09 4 0.5 0.0
76 4 0 0 22.545 45.091 0.249 11.04 2 77.1 62.2
77 4 0 -4 22.748 45.497 0.251 10.82 2 20.2 4.2
78 1 0 4 22.756 45.512 0.251 10.81 2 23.8 5.8
79 1 0 -5 22.87 45.739 0.252 10.69 2 39.7 15.9
80 3 0 2 22.969 45.937 0.253 10.58 2 16.1 2.6
81 3 0 -5 23.231 46.462 0.256 10.31 2 41.2 16.6
82 3 2 0 23.387 46.775 0.258 10.16 4 23.4 10.6
83 3 2 -3 23.499 46.997 0.259 10.05 4 23.6 10.6
84 2 1 3 23.603 47.207 0.26 9.95 4 51.4 49.8
85 2 1 -5 23.799 47.599 0.262 9.76 4 4.9 0.4
86 4 1 0 24.022 48.045 0.264 9.56 4 1.2 0.0
87 2 2 2 24.153 48.306 0.266 9.44 4 80.1 115.0
88 1 2 3 24.215 48.429 0.266 9.39 4 31.2 17.3
89 4 1 -4 24.216 48.432 0.266 9.39 4 1.9 0.1
90 1 1 4 24.223 48.446 0.266 9.38 4 42.4 32.0
91 2 2 -4 24.297 48.595 0.267 9.31 4 86.1 130.9
92 1 2 -4 24.299 48.598 0.267 9.31 4 58.1 59.7
93 1 1 -5 24.331 48.663 0.267 9.29 4 45.8 37.0
94 3 1 2 24.426 48.852 0.268 9.2 4 49.4 42.7
95 3 1 -5 24.676 49.353 0.271 8.99 4 2.3 0.1
96 0 3 1 24.769 49.537 0.272 8.92 4 2.1 0.1
97 0 0 5 24.829 49.658 0.273 8.87 2 16.4 2.3
98 1 3 0 24.929 49.858 0.274 8.79 4 30.7 15.8
99 1 3 -1 24.941 49.882 0.274 8.78 4 12.0 2.4
100 4 0 1 25.226 50.453 0.277 8.55 2 23.2 4.4
101 3 2 1 25.498 50.995 0.279 8.35 4 29.4 13.7
102 4 0 -5 25.506 51.012 0.28 8.34 2 11.0 1.0
103 3 2 -4 25.671 51.342 0.281 8.22 4 3.5 0.2
104 0 2 4 25.675 51.351 0.281 8.22 4 31.1 15.1
105 5 0 -2 25.765 51.531 0.282 8.15 2 78.9 48.1
106 5 0 -3 25.823 51.646 0.283 8.11 2 30.3 7.1
107 1 3 1 25.959 51.918 0.284 8.01 4 26.5 10.7
108 1 3 -2 25.993 51.987 0.284 7.99 4 20.8 6.6
109 4 2 -2 26.2 52.4 0.287 7.85 4 37.2 20.6
110 0 1 5 26.209 52.417 0.287 7.84 4 41.0 25.0
111 0 3 2 26.327 52.653 0.288 7.76 4 0.9 0.0
112 2 3 -1 26.456 52.913 0.289 7.67 4 54.3 42.9
113 4 1 1 26.591 53.182 0.291 7.59 4 7.5 0.8
114 4 2 -1 26.662 53.323 0.291 7.54 4 31.0 13.7
115 5 0 -1 26.727 53.455 0.292 7.5 2 10.9 0.9
116 4 2 -3 26.752 53.503 0.292 7.48 4 26.2 9.7
117 4 1 -5 26.86 53.721 0.293 7.41 4 63.0 55.8
118 5 0 -4 26.895 53.791 0.294 7.39 2 27.6 5.4
119 2 0 4 26.905 53.81 0.294 7.39 2 34.2 8.2
120 2 3 0 26.937 53.874 0.294 7.37 4 11.8 2.0
121 2 3 -2 26.982 53.964 0.295 7.34 4 7.6 0.8
122 5 1 -2 27.111 54.221 0.296 7.26 4 44.0 26.6
123 2 0 -6 27.128 54.256 0.296 7.25 2 64.3 28.4
124 3 0 3 27.15 54.3 0.296 7.23 2 27.7 5.3
125 5 1 -3 27.166 54.332 0.296 7.23 4 41.5 23.6
126 3 0 -6 27.449 54.897 0.299 7.06 2 83.9 47.1
127 2 2 3 27.728 55.456 0.302 6.9 4 1.9 0.0
128 2 2 -5 27.903 55.805 0.304 6.8 4 24.5 7.7
129 1 3 2 27.949 55.897 0.304 6.77 4 11.2 1.6
130 1 0 5 27.972 55.943 0.304 6.76 2 52.6 17.7
131 1 3 -3 28.003 56.006 0.305 6.74 4 98.2 123.4
132 5 1 -1 28.041 56.081 0.305 6.72 4 106.3 144.0
133 1 0 -6 28.091 56.182 0.306 6.7 2 134.2 114.4
134 4 2 0 28.102 56.204 0.306 6.69 4 46.1 27.0
135 5 1 -4 28.203 56.406 0.307 6.64 4 26.2 8.6
136 2 1 4 28.212 56.425 0.307 6.63 4 40.0 20.1
137 4 2 -4 28.275 56.551 0.307 6.6 4 105.8 140.1
138 1 2 4 28.282 56.564 0.308 6.59 4 70.1 61.4
139 1 2 -5 28.379 56.758 0.309 6.54 4 7.4 0.7
140 2 3 1 28.39 56.779 0.309 6.54 4 31.1 12.0
141 2 1 -6 28.428 56.857 0.309 6.52 4 37.8 17.7
142 3 1 3 28.45 56.9 0.309 6.51 4 25.7 8.2
143 3 2 2 28.464 56.928 0.309 6.5 4 61.9 47.2
144 2 3 -3 28.476 56.951 0.309 6.49 4 22.4 6.2
145 5 0 0 28.638 57.275 0.311 6.41 2 15.0 1.4
146 4 0 2 28.684 57.369 0.312 6.39 2 13.0 1.0
147 3 2 -5 28.689 57.379 0.312 6.38 4 12.1 1.8
148 3 1 -6 28.74 57.479 0.312 6.36 4 10.6 1.4
149 0 3 3 28.791 57.581 0.313 6.33 4 68.0 55.6
150 5 0 -5 28.905 57.809 0.314 6.28 2 10.0 0.6
151 4 0 -6 29.026 58.051 0.315 6.22 2 141.6 118.3
152 3 3 -1 29.168 58.335 0.316 6.15 4 90.1 94.7
153 3 3 -2 29.199 58.399 0.317 6.13 4 29.9 10.4
154 1 1 5 29.247 58.495 0.317 6.11 4 78.1 70.7
155 1 1 -6 29.364 58.727 0.318 6.06 4 21.6 5.3
156 5 1 0 29.895 59.79 0.324 5.82 4 54.8 33.2
157 4 1 2 29.941 59.881 0.324 5.8 4 77.8 66.6
158 3 3 0 30.077 60.154 0.325 5.74 4 24.7 6.6
159 0 2 5 30.08 60.159 0.325 5.74 4 10.9 1.3
160 5 1 -5 30.155 60.31 0.326 5.71 4 20.0 4.3
161 3 3 -3 30.17 60.34 0.326 5.7 4 72.6 57.0
162 0 0 6 30.258 60.516 0.327 5.66 2 34.5 6.4
163 4 1 -6 30.273 60.546 0.327 5.66 4 7.9 0.7
164 4 2 1 30.429 60.859 0.329 5.59 4 8.5 0.8
165 4 2 -5 30.677 61.353 0.331 5.49 4 52.3 28.5
166 2 3 2 30.724 61.447 0.332 5.47 4 20.0 4.2
167 1 3 3 30.776 61.552 0.332 5.45 4 23.7 5.8
168 2 3 -4 30.847 61.693 0.333 5.43 4 25.9 6.9
169 1 3 -4 30.848 61.696 0.333 5.43 4 15.9 2.6
170 5 2 -2 30.907 61.813 0.333 5.4 4 18.0 3.3
171 5 2 -3 30.958 61.916 0.334 5.38 4 2.7 0.1
172 6 0 -3 31.314 62.628 0.337 5.25 2 46.3 10.7
173 5 0 1 31.386 62.771 0.338 5.22 2 6.4 0.2
174 0 1 6 31.476 62.952 0.339 5.19 4 0.6 0.0
175 6 0 -2 31.707 63.414 0.341 5.11 2 15.0 1.1
176 5 0 -6 31.739 63.479 0.341 5.1 2 48.1 11.2
177 5 2 -1 31.766 63.531 0.342 5.09 4 27.2 7.1
178 6 0 -4 31.828 63.655 0.342 5.07 2 96.1 44.4
179 3 0 4 31.839 63.678 0.342 5.06 2 56.3 15.2
180 3 3 1 31.878 63.756 0.343 5.05 4 10.7 1.1
181 5 2 -4 31.917 63.833 0.343 5.03 4 114.5 125.1
182 2 2 4 31.925 63.85 0.343 5.03 4 64.2 39.4
183 3 3 -4 32.029 64.057 0.344 5.0 4 5.7 0.3
184 0 3 4 32.032 64.064 0.344 5.0 4 15.1 2.2
185 2 0 5 32.078 64.156 0.345 4.98 2 9.3 0.4
186 2 2 -6 32.126 64.252 0.345 4.96 4 68.0 43.6
187 3 2 3 32.146 64.292 0.345 4.96 4 41.6 16.3
188 3 0 -7 32.17 64.34 0.346 4.95 2 10.0 0.5
189 2 0 -7 32.318 64.636 0.347 4.9 2 25.6 3.1
190 3 2 -6 32.415 64.831 0.348 4.87 4 96.6 86.2
191 4 3 -2 32.489 64.979 0.349 4.84 4 7.1 0.5
192 6 1 -3 32.509 65.019 0.349 4.84 4 14.1 1.8
193 5 1 1 32.579 65.159 0.35 4.82 4 25.6 6.0
194 4 0 3 32.786 65.573 0.352 4.75 2 52.5 12.4
195 1 2 5 32.889 65.779 0.352 4.72 4 19.1 3.3
196 6 1 -2 32.894 65.788 0.353 4.72 4 25.9 6.0
197 4 3 -1 32.894 65.788 0.353 4.72 4 8.7 0.7
198 5 1 -6 32.926 65.852 0.353 4.71 4 9.5 0.8
199 4 3 -3 32.973 65.947 0.353 4.69 4 3.0 0.1
200 6 0 -1 32.988 65.976 0.353 4.69 2 18.8 1.6
201 1 2 -6 32.998 65.996 0.354 4.69 4 24.2 5.2
202 6 1 -4 33.013 66.025 0.354 4.68 4 17.4 2.7
203 3 1 4 33.024 66.047 0.354 4.68 4 2.5 0.1
204 0 4 0 33.18 66.36 0.355 4.63 2 230.0 232.4
205 4 0 -7 33.181 66.363 0.355 4.63 2 17.8 1.4
206 6 0 -5 33.225 66.449 0.356 4.62 2 39.2 6.7
207 2 1 5 33.258 66.516 0.356 4.61 4 76.3 50.8
208 3 1 -7 33.348 66.697 0.357 4.58 4 39.8 13.7
209 1 0 6 33.49 66.98 0.358 4.54 2 22.9 2.3
210 2 1 -7 33.494 66.987 0.358 4.54 4 40.5 14.1
211 5 2 0 33.496 66.992 0.358 4.54 4 55.2 26.3
212 4 2 2 33.539 67.078 0.359 4.53 4 137.4 162.0
213 1 0 -7 33.617 67.234 0.359 4.5 2 32.1 4.4
214 0 4 1 33.619 67.239 0.359 4.5 4 4.9 0.2
215 5 2 -5 33.741 67.481 0.361 4.47 4 11.4 1.1
216 1 4 0 33.752 67.504 0.361 4.47 4 5.6 0.3
217 1 4 -1 33.762 67.523 0.361 4.46 4 10.0 0.8
218 2 3 3 33.838 67.675 0.361 4.44 4 39.3 13.0
219 4 2 -6 33.851 67.703 0.362 4.44 4 41.8 14.7
220 4 1 3 33.954 67.908 0.363 4.41 4 1.2 0.0
221 2 3 -5 33.994 67.987 0.363 4.4 4 6.2 0.3
222 6 1 -1 34.152 68.304 0.364 4.36 4 39.7 13.0
223 4 3 0 34.172 68.343 0.365 4.35 4 1.0 0.0
224 4 3 -4 34.327 68.653 0.366 4.31 4 2.3 0.0
225 1 3 4 34.333 68.665 0.366 4.31 4 42.1 14.5
226 4 1 -7 34.342 68.684 0.366 4.31 4 32.6 8.7
227 6 1 -5 34.385 68.769 0.367 4.3 4 7.1 0.4
228 1 3 -5 34.42 68.839 0.367 4.29 4 34.5 9.7
229 3 3 2 34.496 68.992 0.368 4.27 4 28.2 6.4
230 1 4 1 34.612 69.224 0.369 4.24 4 9.2 0.7
231 1 4 -2 34.641 69.281 0.369 4.23 4 33.7 9.1
232 1 1 6 34.646 69.291 0.369 4.23 4 1.9 0.0
233 3 3 -5 34.698 69.397 0.37 4.22 4 10.0 0.8
234 1 1 -7 34.771 69.542 0.37 4.2 4 4.1 0.1
235 5 0 2 34.87 69.741 0.371 4.18 2 75.6 22.6
236 0 4 2 34.922 69.844 0.372 4.16 4 2.5 0.1
237 0 2 6 34.988 69.975 0.372 4.15 4 67.0 35.3
238 2 4 -1 35.032 70.064 0.373 4.14 4 2.8 0.1
239 6 0 0 35.108 70.216 0.373 4.12 2 29.1 3.3
240 5 0 -7 35.302 70.603 0.375 4.07 2 9.4 0.3
241 2 4 0 35.442 70.883 0.376 4.04 4 37.2 10.6
242 6 0 -6 35.452 70.905 0.377 4.04 2 9.1 0.3
243 2 4 -2 35.48 70.96 0.377 4.03 4 34.8 9.3
244 0 3 5 35.958 71.916 0.381 3.93 4 33.1 8.2
245 6 2 -3 35.97 71.94 0.381 3.93 4 47.0 16.4
246 5 1 2 36.006 72.011 0.382 3.92 4 17.6 2.3
247 0 0 7 36.007 72.013 0.382 3.92 2 18.5 1.3
248 5 2 1 36.037 72.074 0.382 3.91 4 19.7 2.9
249 6 1 0 36.24 72.48 0.384 3.87 4 16.4 2.0
250 4 3 1 36.278 72.556 0.384 3.86 4 8.1 0.5
251 1 4 2 36.313 72.626 0.384 3.85 4 30.5 6.8
252 6 2 -2 36.337 72.675 0.385 3.85 4 70.3 36.1
253 1 4 -3 36.36 72.72 0.385 3.84 4 10.9 0.9
254 5 2 -6 36.368 72.736 0.385 3.84 4 35.6 9.2
255 5 1 -7 36.431 72.862 0.385 3.83 4 0.2 0.0
256 6 2 -4 36.451 72.901 0.386 3.83 4 72.7 38.4
257 3 2 4 36.461 72.922 0.386 3.82 4 7.3 0.4
258 4 3 -5 36.504 73.009 0.386 3.82 4 51.3 19.0
259 6 1 -6 36.58 73.16 0.387 3.8 4 25.8 4.8
260 2 2 5 36.685 73.371 0.388 3.78 4 27.4 5.4
261 2 4 1 36.697 73.393 0.388 3.78 4 36.5 9.5
262 5 3 -2 36.716 73.432 0.388 3.77 4 44.7 14.3
263 5 3 -3 36.763 73.526 0.388 3.76 4 29.4 6.2
264 2 4 -3 36.772 73.544 0.389 3.76 4 1.8 0.0
265 3 2 -7 36.772 73.544 0.389 3.76 4 9.7 0.7
266 2 2 -7 36.911 73.822 0.39 3.74 4 12.4 1.1
267 3 0 5 37.016 74.033 0.391 3.72 2 69.3 16.9
268 0 4 3 37.048 74.095 0.391 3.71 4 13.1 1.2
269 0 1 7 37.127 74.255 0.392 3.7 4 53.8 20.3
270 4 2 3 37.353 74.705 0.394 3.66 4 73.6 37.5
271 3 4 -1 37.379 74.759 0.394 3.65 4 10.1 0.7
272 3 0 -8 37.381 74.763 0.394 3.65 2 93.2 30.1
273 7 0 -3 37.398 74.796 0.394 3.65 2 26.2 2.4
274 3 4 -2 37.407 74.815 0.394 3.65 4 49.6 17.0
275 7 0 -4 37.463 74.927 0.395 3.64 2 32.1 3.6
276 4 0 4 37.476 74.952 0.395 3.63 2 61.4 13.0
277 5 3 -1 37.509 75.018 0.395 3.63 4 97.3 65.2
278 6 2 -1 37.543 75.086 0.396 3.62 4 43.2 12.8
279 5 3 -4 37.649 75.298 0.396 3.6 4 14.8 1.5
280 2 3 4 37.657 75.314 0.397 3.6 4 34.4 8.1
281 2 0 6 37.667 75.334 0.397 3.6 2 66.5 15.1
282 4 2 -7 37.726 75.452 0.397 3.59 4 5.2 0.2
283 6 2 -5 37.767 75.534 0.398 3.58 4 87.5 52.0
284 2 3 -6 37.843 75.686 0.398 3.57 4 32.4 7.1
285 3 3 3 37.862 75.724 0.398 3.57 4 26.7 4.8
286 4 0 -8 37.923 75.847 0.399 3.56 2 21.9 1.6
287 2 0 -8 37.928 75.856 0.399 3.56 2 60.4 12.3
288 6 0 1 38.009 76.018 0.4 3.54 2 22.7 1.7
289 1 2 6 38.018 76.037 0.4 3.54 4 40.8 11.2
290 3 3 -6 38.113 76.226 0.401 3.53 4 14.3 1.4
291 3 1 5 38.126 76.252 0.401 3.52 4 11.4 0.9
292 1 2 -7 38.139 76.278 0.401 3.52 4 17.7 2.1
293 7 0 -2 38.168 76.335 0.401 3.52 2 2.4 0.0
294 3 4 0 38.186 76.372 0.401 3.51 4 65.6 28.6
295 3 4 -3 38.27 76.539 0.402 3.5 4 8.0 0.4
296 7 0 -5 38.362 76.724 0.403 3.49 2 10.0 0.3
297 6 0 -7 38.454 76.908 0.404 3.47 2 16.5 0.9
298 3 1 -8 38.487 76.975 0.404 3.47 4 0.3 0.0
299 7 1 -3 38.504 77.008 0.404 3.46 4 3.1 0.1
300 1 3 5 38.555 77.11 0.405 3.46 4 68.6 30.8
301 7 1 -4 38.569 77.138 0.405 3.45 4 25.4 4.2
302 4 1 4 38.581 77.162 0.405 3.45 4 15.5 1.6
303 1 3 -6 38.657 77.314 0.405 3.44 4 10.3 0.7
304 2 4 2 38.766 77.532 0.406 3.42 4 79.8 41.4
305 2 1 6 38.771 77.541 0.406 3.42 4 25.6 4.3
306 1 4 3 38.813 77.626 0.407 3.42 4 1.1 0.0
307 2 4 -4 38.877 77.753 0.407 3.41 4 5.3 0.2
308 1 4 -4 38.878 77.755 0.407 3.41 4 31.1 6.2
309 4 1 -8 39.024 78.049 0.409 3.39 4 11.5 0.9
310 2 1 -8 39.029 78.058 0.409 3.39 4 6.9 0.3
311 5 0 3 39.033 78.066 0.409 3.38 2 5.3 0.1
312 6 1 1 39.109 78.218 0.409 3.37 4 4.4 0.1
313 5 3 0 39.124 78.249 0.41 3.37 4 48.7 15.2
314 4 3 2 39.165 78.329 0.41 3.37 4 62.9 25.3
315 7 1 -2 39.266 78.533 0.411 3.35 4 11.6 0.9
316 5 2 2 39.333 78.667 0.411 3.34 4 27.6 4.8
317 5 3 -5 39.354 78.709 0.412 3.34 4 6.9 0.3
318 1 0 7 39.41 78.821 0.412 3.33 2 8.1 0.2
319 4 3 -6 39.459 78.918 0.413 3.33 4 7.5 0.4
320 7 1 -5 39.46 78.919 0.413 3.33 4 6.4 0.3
321 5 0 -8 39.539 79.078 0.413 3.31 2 4.5 0.1
322 1 0 -8 39.548 79.096 0.413 3.31 2 9.6 0.3
323 6 1 -7 39.551 79.101 0.413 3.31 4 78.8 39.0
324 6 2 0 39.561 79.122 0.413 3.31 4 18.6 2.2
325 5 2 -7 39.747 79.493 0.415 3.29 4 28.2 5.0
326 7 0 -1 39.756 79.512 0.415 3.29 2 20.4 1.3
327 3 4 1 39.811 79.623 0.416 3.28 4 16.1 1.6
328 6 2 -6 39.891 79.782 0.416 3.27 4 45.6 12.9
329 3 4 -4 39.949 79.897 0.417 3.26 4 36.0 8.0
330 0 4 4 39.952 79.904 0.417 3.26 4 8.9 0.5
331 7 0 -6 40.077 80.154 0.418 3.25 2 3.3 0.0
332 5 1 3 40.125 80.25 0.418 3.24 4 11.6 0.8
333 4 4 -2 40.371 80.741 0.42 3.21 4 5.1 0.2
334 0 2 7 40.424 80.848 0.421 3.2 4 61.1 22.7
335 1 1 7 40.5 80.999 0.422 3.19 4 13.0 1.0
336 0 3 6 40.535 81.069 0.422 3.19 4 5.1 0.2
337 5 1 -8 40.628 81.255 0.423 3.18 4 1.1 0.0
338 1 1 -8 40.637 81.273 0.423 3.18 4 2.7 0.0
339 4 4 -1 40.743 81.486 0.424 3.17 4 62.2 23.2
340 4 4 -3 40.816 81.632 0.424 3.16 4 14.2 1.2
341 7 1 -1 40.843 81.687 0.425 3.16 4 17.0 1.7
342 7 1 -6 41.162 82.324 0.427 3.12 4 39.3 9.2
343 3 2 5 41.4 82.8 0.429 3.1 4 36.1 7.7
344 6 3 -3 41.472 82.945 0.43 3.09 4 11.2 0.7
345 5 3 1 41.537 83.073 0.43 3.08 4 28.1 4.6
346 2 4 3 41.618 83.236 0.431 3.07 4 40.8 9.7
347 6 0 2 41.653 83.307 0.431 3.07 2 18.0 0.9
348 3 2 -8 41.754 83.508 0.432 3.06 4 40.0 9.3
349 2 4 -5 41.763 83.526 0.432 3.06 4 8.1 0.4
350 7 2 -3 41.77 83.54 0.432 3.06 4 45.6 12.1
351 6 3 -2 41.825 83.65 0.433 3.05 4 23.8 3.3
352 7 2 -4 41.834 83.667 0.433 3.05 4 0.6 0.0
353 4 2 4 41.846 83.692 0.433 3.05 4 23.5 3.2
354 5 3 -6 41.854 83.709 0.433 3.05 4 4.2 0.1
355 4 4 0 41.929 83.859 0.434 3.04 4 47.3 12.9
356 6 3 -4 41.934 83.867 0.434 3.04 4 18.7 2.0
357 3 3 4 41.944 83.887 0.434 3.04 4 5.5 0.2
358 2 2 6 42.032 84.064 0.435 3.04 4 30.4 5.3
359 4 4 -4 42.074 84.149 0.435 3.03 4 14.2 1.2
360 1 4 4 42.08 84.16 0.435 3.03 4 15.7 1.4
361 7 0 0 42.142 84.285 0.436 3.03 2 1.6 0.0
362 2 3 5 42.16 84.319 0.436 3.02 4 65.7 24.7
363 1 4 -5 42.161 84.323 0.436 3.02 4 22.0 2.8
364 6 0 -8 42.198 84.395 0.436 3.02 2 72.2 14.9
365 0 0 8 42.211 84.422 0.436 3.02 2 5.9 0.1
366 3 4 2 42.233 84.466 0.436 3.02 4 9.8 0.6
367 3 3 -7 42.243 84.486 0.436 3.02 4 36.2 7.5
368 4 2 -8 42.281 84.562 0.437 3.01 4 21.8 2.7
369 2 2 -8 42.285 84.571 0.437 3.01 4 24.7 3.5
370 6 2 1 42.364 84.729 0.437 3.01 4 15.4 1.3
371 2 3 -7 42.377 84.754 0.438 3.0 4 34.4 6.8
372 3 4 -5 42.423 84.846 0.438 3.0 4 25.1 3.6
373 7 2 -2 42.519 85.038 0.439 2.99 4 26.2 3.9
374 7 0 -7 42.586 85.172 0.439 2.99 2 20.8 1.2
375 7 2 -5 42.709 85.418 0.44 2.98 4 8.8 0.4
376 6 1 2 42.731 85.462 0.44 2.98 4 18.6 2.0
377 3 0 6 42.747 85.495 0.441 2.97 2 8.4 0.2
378 4 0 5 42.777 85.555 0.441 2.97 2 5.8 0.1
379 6 2 -7 42.799 85.598 0.441 2.97 4 4.6 0.1
380 4 3 3 42.804 85.607 0.441 2.97 4 1.8 0.0
381 6 3 -1 42.988 85.976 0.443 2.95 4 33.2 6.2
382 3 0 -9 43.154 86.308 0.444 2.94 2 15.6 0.7
383 4 3 -7 43.165 86.33 0.444 2.94 4 30.5 5.2
384 6 3 -5 43.205 86.41 0.444 2.94 4 4.0 0.1
385 7 1 0 43.218 86.437 0.445 2.94 4 66.2 24.4
386 6 1 -8 43.274 86.547 0.445 2.93 4 29.4 4.8
387 4 0 -9 43.284 86.567 0.445 2.93 2 6.1 0.1
388 0 1 8 43.287 86.574 0.445 2.93 4 53.0 15.6
389 5 2 3 43.365 86.731 0.446 2.93 4 9.9 0.5
390 1 3 6 43.449 86.898 0.446 2.92 4 6.6 0.2
391 1 3 -7 43.566 87.133 0.447 2.91 4 9.5 0.5
392 0 5 1 43.568 87.137 0.447 2.91 4 2.5 0.0
393 0 4 5 43.615 87.229 0.448 2.91 4 9.7 0.5
394 7 1 -7 43.661 87.322 0.448 2.91 4 62.4 21.5
395 1 5 0 43.691 87.382 0.448 2.9 4 0.2 0.0
396 1 5 -1 43.7 87.4 0.448 2.9 4 10.4 0.6
397 1 2 7 43.735 87.471 0.449 2.9 4 2.7 0.0
398 2 0 7 43.79 87.581 0.449 2.9 2 42.5 5.0
399 3 1 6 43.822 87.644 0.449 2.9 4 31.5 5.4
400 4 1 5 43.852 87.704 0.45 2.89 4 40.6 9.0
401 5 2 -8 43.862 87.724 0.45 2.89 4 55.7 17.0
402 8 0 -4 43.866 87.732 0.45 2.89 2 6.6 0.1
403 1 2 -8 43.871 87.741 0.45 2.89 4 55.5 16.9
404 5 0 4 43.88 87.76 0.45 2.89 2 3.6 0.0
405 4 4 1 43.919 87.839 0.45 2.89 4 7.7 0.3
406 7 2 -1 44.075 88.151 0.452 2.88 4 29.5 4.8
407 2 0 -9 44.079 88.158 0.452 2.88 2 44.4 5.4
408 4 4 -5 44.136 88.272 0.452 2.88 4 0.4 0.0
409 8 0 -3 44.198 88.396 0.453 2.87 2 86.8 20.5
410 3 1 -9 44.228 88.456 0.453 2.87 4 14.7 1.2
411 5 4 -2 44.338 88.677 0.454 2.86 4 51.4 14.3
412 8 0 -5 44.342 88.685 0.454 2.86 2 34.2 3.2
413 4 1 -9 44.357 88.714 0.454 2.86 4 81.6 36.2
414 5 4 -3 44.384 88.767 0.454 2.86 4 14.7 1.2
415 7 2 -6 44.391 88.782 0.454 2.86 4 31.4 5.4
416 5 0 -9 44.467 88.933 0.455 2.86 2 7.5 0.2
417 1 5 1 44.491 88.981 0.455 2.86 4 8.1 0.4
418 1 5 -2 44.518 89.035 0.455 2.85 4 5.7 0.2
419 5 3 2 44.733 89.466 0.457 2.84 4 23.2 2.9
420 0 5 2 44.781 89.563 0.457 2.84 4 2.1 0.0
421 2 1 7 44.863 89.726 0.458 2.84 4 29.2 4.6
422 2 5 -1 44.885 89.769 0.458 2.83 4 35.5 6.8
423 8 1 -4 44.939 89.877 0.459 2.83 4 18.0 1.7
424 5 1 4 44.953 89.906 0.459 2.83 4 13.6 1.0
425 6 3 0 44.956 89.912 0.459 2.83 4 13.4 1.0
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 0 0 1 4.818 9.635 9.17189 10.6 1.1 1.1 5.6
2 1 0 0 5.5 11.001 8.03602 18.8 1.9 1.9 5.6
3 1 0 -1 5.547 11.095 7.96807 61.6 6.1 6.2 5.6
4 1 0 1 8.749 17.498 5.06405 23.2 2.3 2.3 5.6
5 1 0 -2 8.839 17.677 5.01316 295.5 29.4 29.7 5.6
6 1 1 -1 9.644 19.288 4.59804 103.0 10.3 10.4 5.6
7 2 0 0 11.052 22.105 4.01801 213.0 21.2 21.4 5.6
8 2 0 -2 11.148 22.296 3.98404 177.5 17.7 17.8 5.6
9 1 1 1 11.805 23.611 3.76506 62.0 6.2 6.2 5.6
10 1 1 -2 11.873 23.745 3.744 38.9 3.9 3.9 5.6
11 2 1 -1 12.753 25.507 3.48932 347.7 34.6 34.8 5.6
12 1 0 2 13.077 26.153 3.40447 96.1 9.6 9.6 5.6
13 2 1 -2 13.701 27.402 3.25213 10.5 1.0 1.0 5.6
14 2 0 1 13.886 27.772 3.20961 99.5 9.9 9.9 5.6
15 0 0 3 14.593 29.186 3.0573 23.9 2.4 2.4 5.6
16 3 0 -2 15.289 30.577 2.92123 126.3 12.6 12.6 5.6
17 1 1 2 15.332 30.663 2.91325 12.0 1.2 1.2 5.6
18 1 1 -3 15.42 30.84 2.89699 1004.0 100.0 100.0 5.6
19 0 2 0 15.881 31.761 2.815 426.8 42.5 42.5 5.6
20 2 1 1 16.037 32.073 2.78833 72.1 7.2 7.2 5.6
21 2 1 -3 16.172 32.344 2.76561 41.3 4.1 4.1 5.6
22 0 1 3 16.66 33.321 2.68671 335.2 33.4 33.3 5.7
23 3 0 0 16.712 33.424 2.67867 186.3 18.6 18.5 5.7
24 1 2 0 16.854 33.708 2.65671 207.1 20.6 20.6 5.7
25 3 1 -1 17.234 34.467 2.59993 439.3 43.8 43.6 5.7
26 3 1 -2 17.281 34.563 2.59296 16.8 1.7 1.7 5.7
27 2 0 2 17.711 35.422 2.53203 184.6 18.4 18.3 5.7
28 1 0 -4 17.899 35.797 2.50633 30.1 3.0 3.0 5.7
29 1 2 -2 18.29 36.579 2.45451 75.5 7.5 7.5 5.7
30 3 1 0 18.569 37.138 2.41885 16.0 1.6 1.6 5.7
31 3 1 -3 18.703 37.406 2.40213 567.6 56.5 56.2 5.7
32 2 2 -1 18.897 37.794 2.3784 38.0 3.8 3.8 5.7
33 2 1 2 19.485 38.971 2.30923 15.1 1.5 1.5 5.7
34 2 2 -2 19.575 39.151 2.29902 154.2 15.4 15.2 5.7
35 3 0 -4 19.624 39.248 2.29356 15.8 1.6 1.6 5.7
36 2 1 -4 19.657 39.313 2.28988 78.6 7.8 7.8 5.7
37 4 0 -1 20.832 41.665 2.16593 164.7 16.4 16.2 5.7
38 1 2 -3 20.865 41.73 2.1627 76.6 7.6 7.6 5.7
39 4 0 -3 20.941 41.881 2.15523 11.0 1.1 1.1 5.7
40 0 1 4 21.268 42.535 2.1236 16.3 1.6 1.6 5.7
41 2 2 1 21.344 42.688 2.11635 159.9 15.9 15.7 5.7
42 2 2 -3 21.45 42.9 2.10636 194.2 19.3 19.1 5.7
43 0 2 3 21.836 43.673 2.07087 141.6 14.1 13.9 5.7
44 2 0 3 22.105 44.21 2.04697 66.4 6.6 6.5 5.7
45 3 2 -1 22.296 44.591 2.03034 25.3 2.5 2.5 5.7
46 4 0 0 22.545 45.091 2.00901 62.2 6.2 6.1 5.7
47 1 0 -5 22.87 45.739 1.98202 15.9 1.6 1.6 5.7
48 3 0 -5 23.231 46.462 1.95285 16.6 1.7 1.6 5.7
49 3 2 0 23.387 46.775 1.94051 10.6 1.1 1.0 5.7
50 3 2 -3 23.499 46.997 1.93185 10.6 1.1 1.0 5.7
51 2 1 3 23.603 47.207 1.92376 49.8 5.0 4.9 5.7
52 2 2 2 24.153 48.306 1.88253 115.0 11.5 11.3 5.7
53 1 1 4 24.223 48.446 1.8774 49.3 4.9 4.8 5.7
54 2 2 -4 24.297 48.595 1.872 190.6 19.0 18.6 5.7
55 1 1 -5 24.331 48.663 1.86955 37.0 3.7 3.6 5.7
56 3 1 2 24.426 48.852 1.86275 42.7 4.2 4.2 5.7
57 1 3 0 24.929 49.858 1.82749 18.2 1.8 1.8 5.7
58 3 2 1 25.498 50.995 1.78938 14.7 1.5 1.4 5.8
59 0 2 4 25.675 51.351 1.77782 15.1 1.5 1.5 5.8
60 5 0 -2 25.765 51.531 1.77204 48.1 4.8 4.7 5.8
61 1 3 1 25.959 51.918 1.75972 10.7 1.1 1.0 5.8
62 0 1 5 26.209 52.417 1.74413 45.6 4.5 4.4 5.8
63 2 3 -1 26.456 52.913 1.72897 42.9 4.3 4.2 5.8
64 4 2 -1 26.662 53.323 1.71661 13.7 1.4 1.3 5.8
65 4 1 -5 26.86 53.721 1.70485 55.8 5.6 5.4 5.8
66 2 0 4 26.905 53.81 1.70223 13.5 1.3 1.3 5.8
67 2 0 -6 27.128 54.256 1.6893 55.1 5.5 5.3 5.8
68 5 1 -3 27.166 54.332 1.6871 28.9 2.9 2.8 5.8
69 3 0 -6 27.449 54.897 1.67105 47.1 4.7 4.6 5.8
70 1 0 5 27.972 55.943 1.64227 19.3 1.9 1.9 5.8
71 1 3 -3 28.003 56.006 1.64057 123.4 12.3 12.0 5.8
72 5 1 -1 28.041 56.081 1.63856 144.0 14.3 14.0 5.8
73 1 0 -6 28.091 56.182 1.63584 141.5 14.1 13.7 5.8
74 2 1 4 28.212 56.425 1.62939 28.7 2.9 2.8 5.8
75 4 2 -4 28.275 56.551 1.62606 201.5 20.1 19.5 5.8
76 2 3 1 28.39 56.779 1.62006 12.0 1.2 1.2 5.8
77 2 1 -6 28.428 56.857 1.61803 25.8 2.6 2.5 5.8
78 3 2 2 28.464 56.928 1.61618 53.3 5.3 5.2 5.8
79 0 3 3 28.791 57.581 1.59939 55.6 5.5 5.4 5.8
80 4 0 -6 29.026 58.051 1.58755 118.3 11.8 11.4 5.8
81 3 3 -1 29.168 58.335 1.58049 94.7 9.4 9.1 5.8
82 3 3 -2 29.199 58.399 1.57892 10.4 1.0 1.0 5.8
83 1 1 5 29.247 58.495 1.57656 70.7 7.0 6.8 5.8
84 5 1 0 29.895 59.79 1.54546 33.2 3.3 3.2 5.8
85 4 1 2 29.941 59.881 1.54333 66.6 6.6 6.4 5.8
86 3 3 -3 30.17 60.34 1.53268 61.3 6.1 5.9 5.8
87 4 2 -5 30.677 61.353 1.50979 28.5 2.8 2.7 5.8
88 6 0 -3 31.314 62.628 1.48208 10.7 1.1 1.0 5.8
89 5 0 -6 31.739 63.479 1.46425 18.3 1.8 1.8 5.9
90 6 0 -4 31.828 63.655 1.46062 59.6 5.9 5.7 5.9
91 5 2 -4 31.917 63.833 1.45697 164.5 16.4 15.8 5.9
92 2 2 -6 32.126 64.252 1.44849 59.9 6.0 5.7 5.9
93 3 2 -6 32.415 64.831 1.43694 86.2 8.6 8.3 5.9
94 4 0 3 32.786 65.573 1.42247 12.4 1.2 1.2 5.9
95 0 4 0 33.18 66.36 1.4075 233.8 23.3 22.3 5.9
96 2 1 5 33.258 66.516 1.40457 50.8 5.1 4.9 5.9
97 3 1 -7 33.348 66.697 1.4012 13.7 1.4 1.3 5.9
98 5 2 0 33.496 66.992 1.39574 42.6 4.2 4.1 5.9
99 4 2 2 33.539 67.078 1.39416 162.0 16.1 15.4 5.9
100 4 2 -6 33.851 67.703 1.3828 27.7 2.8 2.6 5.9
101 6 1 -1 34.152 68.304 1.37209 13.0 1.3 1.2 5.9
102 1 3 4 34.333 68.665 1.36576 23.2 2.3 2.2 5.9
103 5 0 2 34.87 69.741 1.3473 22.6 2.3 2.1 5.9
104 0 2 6 34.988 69.975 1.34336 35.3 3.5 3.3 5.9
105 2 4 0 35.442 70.883 1.32836 10.9 1.1 1.0 5.9
106 6 2 -3 35.97 71.94 1.31142 24.6 2.5 2.3 5.9
107 6 2 -2 36.337 72.675 1.29996 42.9 4.3 4.0 6.0
108 6 2 -4 36.451 72.901 1.29648 38.8 3.9 3.7 6.0
109 4 3 -5 36.504 73.009 1.29484 19.0 1.9 1.8 6.0
110 2 4 1 36.697 73.393 1.289 29.2 2.9 2.8 6.0
111 3 0 5 37.016 74.033 1.27945 16.9 1.7 1.6 6.0
112 0 1 7 37.127 74.255 1.27617 20.3 2.0 1.9 6.0
113 4 2 3 37.353 74.705 1.26958 68.3 6.8 6.4 6.0
114 3 4 -2 37.407 74.815 1.26799 19.4 1.9 1.8 6.0
115 4 0 4 37.476 74.952 1.26601 16.6 1.6 1.6 6.0
116 5 3 -1 37.509 75.018 1.26507 65.2 6.5 6.1 6.0
117 6 2 -1 37.543 75.086 1.26408 12.8 1.3 1.2 6.0
118 2 0 6 37.667 75.334 1.26053 24.7 2.5 2.3 6.0
119 6 2 -5 37.767 75.534 1.2577 52.0 5.2 4.9 6.0
120 2 3 -6 37.843 75.686 1.25555 12.0 1.2 1.1 6.0
121 2 0 -8 37.928 75.856 1.25316 13.9 1.4 1.3 6.0
122 1 2 6 38.018 76.037 1.25063 12.9 1.3 1.2 6.0
123 3 4 0 38.186 76.372 1.24597 28.6 2.9 2.7 6.0
124 1 3 5 38.555 77.11 1.23587 36.6 3.6 3.4 6.0
125 2 4 2 38.766 77.532 1.23021 45.6 4.5 4.3 6.0
126 5 3 0 39.124 78.249 1.22072 15.2 1.5 1.4 6.0
127 4 3 2 39.165 78.329 1.21967 25.3 2.5 2.4 6.0
128 6 1 -7 39.551 79.101 1.20969 41.2 4.1 3.8 6.0
129 6 2 -6 39.891 79.782 1.20107 12.9 1.3 1.2 6.0
130 0 2 7 40.424 80.848 1.18789 22.7 2.3 2.1 6.1
131 4 4 -1 40.743 81.486 1.1802 23.2 2.3 2.1 6.1
132 7 2 -3 41.77 83.54 1.15632 21.8 2.2 2.0 6.1
133 4 4 0 41.929 83.859 1.15275 15.1 1.5 1.4 6.1
134 2 3 5 42.16 84.319 1.14762 27.5 2.7 2.5 6.1
135 6 0 -8 42.198 84.395 1.14678 15.0 1.5 1.4 6.1
136 7 1 0 43.218 86.437 1.12486 24.4 2.4 2.2 6.1
137 0 1 8 43.287 86.574 1.12343 20.5 2.0 1.9 6.1
138 7 1 -7 43.661 87.322 1.11572 21.5 2.1 2.0 6.2
139 5 2 -8 43.862 87.724 1.11164 48.6 4.8 4.4 6.2
140 2 0 -9 44.079 88.158 1.10728 10.2 1.0 0.9 6.2
141 8 0 -3 44.198 88.396 1.10491 21.7 2.2 2.0 6.2
142 4 1 -9 44.357 88.714 1.10177 53.7 5.3 4.9 6.2
143 2 5 -1 44.885 89.769 1.09154 11.4 1.1 1.0 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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