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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MEDENBACHITE
1, DF
Bi(2)Fe(Cu,Fe)(O,OH)(2)(OH)(2)[AsO(4)](2)
Triclinic P 1(-) Z = 1
R =0.093
15 .11 .1996
Ref.Str.:
Krause W., Bernhardt H.-J., Gebert W., Graetsch H.,
Belendorff K., Petitjean K. (1996)
* Amer. Mineral., 81, 505-512
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.581 alpha = 94.29
b = 6.176 beta = 99.93
c = 8.969 gamma = 94.85
Unit cell volume (cub. angs.) = 248.02
Molar volume ( cub.cm/mol.) = 149.39
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1589 0.2996 0.3953 0.03 Bi = 0.5 , Bi = 0.0
2 0.2541 0.3223 0.3883 0.02 Bi = 0.5 , Bi = 0.0
3 0.0 0.0 0.0 0.02 Fe = 1.00
4 0.0 0.5 0.0 0.02 Cu = 0.88, Fe = 0.12
5 0.5411 0.7998 0.2178 0.02 As = 1.00
6 0.314 0.565 0.198 0.02 O = 1.00
7 0.145 0.742 0.899 0.03 O = 1.00
8 0.338 0.012 0.182 0.03 O = 1.00
9 0.245 0.224 0.916 0.02 O = 1.00
10 0.277 0.617 0.541 0.03 O = 1.00
11 0.246 0.139 0.611 0.03 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1589 0.2996 0.3953
2 2 0.2541 0.3223 0.3883
3 3 0.0 0.0 0.0
4 4 0.0 0.5 0.0
5 5 0.5411 0.7998 0.2178
6 6 0.314 0.565 0.198
7 7 0.145 0.742 0.899
8 8 0.338 0.012 0.182
9 9 0.245 0.224 0.916
10 10 0.277 0.617 0.541
11 11 0.246 0.139 0.611
12 1 0.8411 0.7004 0.6047
13 2 0.7459 0.6777 0.6117
14 5 0.4589 0.2002 0.7822
15 6 0.686 0.435 0.802
16 7 0.855 0.258 0.101
17 8 0.662 0.988 0.818
18 9 0.755 0.776 0.084
19 10 0.723 0.383 0.459
20 11 0.754 0.861 0.389
X-ray density (g/cm cub.) = 5.88
MU (1/cm) = 918.531 Mass attenuation coefficient (cm**2/g) = 156.262
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Bi ,Bi 3.072 7
2.6445 6
2.787 8
2.2442 10
2.2301 11
2.7463 7
2.5478 10
2.2589 10
2 Bi ,Bi 3.072 7
2.3895 6
2.6614 8
2.1782 10
2.3726 11
2.8705 7
2.1249 10
2.667 10
3 Fe 2.592 6
1.9928 7
2.0392 8
1.9814 9
1.9928 7
2.0392 8
1.9814 9
4 Cu ,Fe 2.808 6
2.0733 6
1.9333 7
2.2706 9
2.0733 6
1.9333 7
2.2706 9
5 As 2.46 4
1.691 6
1.6889 8
1.6809 9
1.6692 11
6 O 3.264 9
2.9752 7
2.769 8
3.122 9
3.1044 10
2.6872 7
2.7003 9
3.0268 9
3.0807 10
2.8385 11
7 O 3.264 8
2.9752 6
2.8894 8
2.9618 9
2.6872 6
2.9318 8
2.8126 8
2.9758 9
2.6501 9
8 O 3.264 8
2.769 6
2.8894 7
2.7926 9
2.9318 7
2.8126 7
2.7211 9
2.8931 9
2.6996 11
9 O 3.264 10
3.122 6
2.9618 7
2.7926 8
2.7475 11
2.7003 6
3.0268 6
2.9758 7
2.6501 7
2.7211 8
2.8931 8
10 O 3.264 8
3.1044 6
3.2578 11
3.0605 11
3.0807 6
2.7681 10
2.7654 10
3.1116 11
3.1082 11
11 O 3.264 8
2.7475 9
3.0605 10
3.2578 10
2.8385 6
2.6996 8
3.1116 10
3.1082 10
3.0461 11
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 5.023 10.046 0.057 257.93 2 46.0 1776.7
2 0 1 0 7.221 14.441 0.082 123.64 2 38.4 594.0
3 0 -1 1 8.424 16.847 0.095 90.26 2 73.3 1578.2
4 0 1 1 9.183 18.366 0.104 75.6 2 26.8 176.7
5 1 0 0 9.878 19.756 0.111 65.04 2 22.7 108.9
6 0 0 2 10.085 20.17 0.114 62.31 2 29.7 179.0
7 -1 0 1 10.254 20.509 0.116 60.2 2 77.1 1163.9
8 -1 1 0 11.675 23.35 0.131 45.95 2 103.1 1587.7
9 0 -1 2 11.89 23.78 0.134 44.23 2 179.7 4644.9
10 1 0 1 11.897 23.794 0.134 44.18 2 55.1 436.6
11 -1 1 1 12.277 24.554 0.138 41.36 2 205.9 5700.0
12 -1 0 2 12.826 25.653 0.144 37.72 2 5.1 3.2
13 1 1 0 12.856 25.712 0.144 37.54 2 163.5 3264.5
14 -1 -1 1 12.89 25.779 0.145 37.33 2 123.0 1835.1
15 0 1 2 12.982 25.965 0.146 36.77 2 108.1 1396.7
16 1 -1 1 13.183 26.367 0.148 35.6 2 26.5 81.0
17 0 2 0 14.559 29.119 0.163 28.83 2 101.4 964.3
18 1 1 1 14.722 29.444 0.165 28.15 2 48.2 212.5
19 -1 1 2 14.749 29.497 0.165 28.04 2 76.4 531.5
20 -1 -1 2 14.811 29.623 0.166 27.79 2 41.6 156.6
21 0 -2 1 14.984 29.969 0.168 27.11 2 6.0 3.2
22 0 0 3 15.228 30.456 0.17 26.19 2 45.6 176.8
23 1 0 2 15.442 30.885 0.173 25.41 2 222.0 4070.0
24 0 2 1 15.88 31.76 0.178 23.93 2 189.4 2790.5
25 1 -1 2 16.261 32.523 0.182 22.73 2 29.8 65.8
26 0 -1 3 16.3 32.6 0.182 22.61 2 122.6 1104.4
27 -1 0 3 16.661 33.323 0.186 21.56 2 164.8 1904.2
28 -1 2 0 16.855 33.709 0.188 21.03 2 2.5 0.4
29 0 -2 2 17.037 34.073 0.19 20.54 2 134.2 1202.5
30 -1 2 1 17.491 34.983 0.195 19.4 2 89.1 500.2
31 0 1 3 17.538 35.075 0.196 19.29 2 175.2 1925.3
32 1 -2 1 17.768 35.537 0.198 18.74 2 144.7 1276.0
33 1 1 2 17.951 35.901 0.2 18.33 2 44.6 118.5
34 -1 -1 3 18.076 36.151 0.201 18.05 2 96.6 547.3
35 -1 -2 1 18.381 36.761 0.205 17.4 2 4.6 1.2
36 -1 1 3 18.41 36.82 0.205 17.34 2 28.4 45.5
37 1 2 0 18.547 37.095 0.206 17.06 2 77.2 330.5
38 0 2 2 18.613 37.226 0.207 16.92 2 56.2 173.8
39 -1 2 2 19.546 39.093 0.217 15.19 2 71.6 253.2
40 -1 -2 2 19.644 39.288 0.218 15.02 2 155.5 1181.7
41 -2 0 1 19.785 39.57 0.22 14.79 2 156.0 1169.9
42 1 0 3 19.79 39.58 0.22 14.78 2 17.2 14.2
43 1 -2 2 20.048 40.097 0.223 14.36 2 99.9 466.4
44 2 0 0 20.066 40.132 0.223 14.33 2 52.8 129.8
45 1 2 1 20.114 40.228 0.223 14.25 2 12.9 7.7
46 1 -1 3 20.28 40.56 0.225 14.0 2 89.3 362.9
47 0 -2 3 20.282 40.563 0.225 13.99 2 70.4 225.4
48 0 0 4 20.5 41.0 0.227 13.66 2 58.4 151.5
49 -2 1 1 20.602 41.205 0.228 13.51 2 10.8 5.2
50 -2 1 0 20.701 41.403 0.229 13.37 2 70.0 213.1
51 -2 0 2 20.857 41.714 0.231 13.15 2 88.5 334.5
52 0 -1 4 21.171 42.341 0.234 12.71 2 16.9 11.8
53 -1 0 4 21.173 42.347 0.234 12.71 2 83.2 286.2
54 2 0 1 21.657 43.313 0.24 12.08 2 82.6 268.0
55 -2 -1 1 21.718 43.435 0.24 12.01 2 63.1 155.3
56 -2 1 2 21.808 43.616 0.241 11.89 2 25.0 24.2
57 1 1 3 22.032 44.065 0.244 11.62 2 14.9 8.4
58 2 -1 1 22.091 44.181 0.244 11.56 2 160.1 962.5
59 -1 -2 3 22.132 44.263 0.245 11.51 2 37.7 53.1
60 2 1 0 22.143 44.287 0.245 11.49 2 19.9 14.8
61 0 3 0 22.153 44.305 0.245 11.48 2 68.3 174.4
62 -1 -1 4 22.18 44.36 0.245 11.45 2 65.1 157.6
63 0 -3 1 22.288 44.576 0.246 11.33 2 109.0 437.1
64 0 2 3 22.318 44.636 0.247 11.29 2 84.7 263.2
65 0 1 4 22.501 45.003 0.248 11.09 2 51.2 94.4
66 -2 -1 2 22.554 45.107 0.249 11.03 2 44.7 71.8
67 -1 2 3 22.696 45.391 0.25 10.87 2 63.5 142.7
68 -1 1 4 22.786 45.572 0.251 10.77 2 43.3 65.7
69 1 2 2 22.84 45.68 0.252 10.72 2 111.5 433.0
70 -2 0 3 23.128 46.256 0.255 10.42 2 15.1 7.7
71 0 3 1 23.253 46.507 0.256 10.29 2 82.8 229.3
72 1 -2 3 23.362 46.724 0.257 10.18 2 1.4 0.1
73 -1 3 0 23.483 46.966 0.259 10.06 2 7.4 1.8
74 0 -3 2 23.642 47.285 0.26 9.91 2 103.4 344.6
75 2 1 1 23.777 47.554 0.262 9.78 2 104.4 346.6
76 -2 2 0 23.874 47.747 0.263 9.69 2 15.8 7.9
77 -2 2 1 23.941 47.881 0.263 9.63 2 56.2 98.8
78 1 -3 1 24.031 48.062 0.264 9.55 2 104.8 341.1
79 -1 3 1 24.125 48.249 0.265 9.47 2 135.8 568.0
80 -2 1 3 24.161 48.323 0.266 9.43 2 34.8 37.2
81 0 -2 4 24.335 48.67 0.267 9.28 2 156.1 735.7
82 2 0 2 24.35 48.7 0.268 9.27 2 39.8 47.7
83 -2 -1 3 24.549 49.099 0.27 9.1 2 86.5 221.2
84 2 -1 2 24.596 49.191 0.27 9.06 2 69.7 143.0
85 1 0 4 24.631 49.261 0.271 9.03 2 27.1 21.6
86 1 -1 4 24.894 49.789 0.273 8.81 2 153.0 670.6
87 2 -2 1 24.974 49.949 0.274 8.75 2 85.3 207.2
88 -1 -3 1 25.156 50.312 0.276 8.61 2 6.2 1.1
89 -2 2 2 25.168 50.336 0.276 8.6 2 210.3 1235.8
90 1 3 0 25.434 50.869 0.279 8.39 2 109.0 324.3
91 0 3 2 25.466 50.931 0.279 8.37 2 3.5 0.3
92 -1 -2 4 25.561 51.123 0.28 8.3 2 33.4 30.1
93 1 -3 2 25.712 51.424 0.282 8.19 2 61.2 99.7
94 -1 3 2 25.89 51.78 0.283 8.06 2 129.5 439.3
95 -2 -2 1 25.906 51.811 0.284 8.05 2 56.5 83.6
96 0 0 5 25.961 51.922 0.284 8.01 2 193.0 970.1
97 -1 -3 2 26.008 52.016 0.285 7.98 2 108.5 305.2
98 0 -3 3 26.07 52.14 0.285 7.94 2 9.1 2.1
99 -1 0 5 26.136 52.272 0.286 7.89 2 29.7 22.6
100 -2 0 4 26.359 52.718 0.288 7.74 2 113.7 325.3
101 0 -1 5 26.379 52.759 0.288 7.73 2 75.3 142.4
102 2 2 0 26.423 52.847 0.289 7.7 2 112.5 316.6
103 2 1 2 26.448 52.895 0.289 7.68 2 115.6 333.8
104 1 2 3 26.451 52.902 0.289 7.68 2 161.2 648.8
105 -2 -2 2 26.497 52.994 0.29 7.65 2 31.6 24.8
106 -1 2 4 26.646 53.292 0.291 7.55 2 186.0 849.0
107 1 1 4 26.693 53.386 0.292 7.52 2 114.9 322.7
108 0 2 4 26.699 53.398 0.292 7.52 2 49.8 60.6
109 1 3 1 26.817 53.635 0.293 7.44 2 89.2 192.4
110 -1 -1 5 26.857 53.715 0.293 7.42 2 103.7 259.3
111 2 -2 2 27.138 54.276 0.296 7.24 2 20.9 10.3
112 1 -2 4 27.436 54.872 0.299 7.06 2 122.2 343.0
113 -2 2 3 27.442 54.884 0.299 7.06 2 9.3 2.0
114 -2 1 4 27.442 54.885 0.299 7.06 2 117.5 317.2
115 -2 -1 4 27.518 55.036 0.3 7.02 2 98.0 219.0
116 -1 1 5 27.666 55.331 0.301 6.93 2 78.7 139.7
117 0 1 5 27.796 55.592 0.303 6.86 2 16.3 5.9
118 2 0 3 27.912 55.824 0.304 6.79 2 40.7 36.5
119 -1 -3 3 27.916 55.832 0.304 6.79 2 71.8 113.7
120 2 -1 3 27.997 55.994 0.305 6.75 2 18.9 7.8
121 2 2 1 28.007 56.014 0.305 6.74 2 1.6 0.1
122 -2 -2 3 28.149 56.298 0.306 6.66 2 158.7 545.4
123 1 -3 3 28.381 56.762 0.309 6.54 2 100.4 214.4
124 0 3 3 28.605 57.209 0.311 6.43 2 106.5 236.8
125 -1 3 3 28.631 57.261 0.311 6.41 2 68.1 96.7
126 -2 3 0 28.946 57.891 0.314 6.26 2 108.8 240.8
127 0 -2 5 28.983 57.966 0.315 6.24 2 46.6 44.0
128 -2 3 1 29.139 58.278 0.316 6.16 2 40.6 33.1
129 1 3 2 29.196 58.392 0.317 6.14 2 58.7 68.8
130 0 -3 4 29.386 58.772 0.319 6.05 2 107.0 225.0
131 -1 -2 5 29.718 59.436 0.322 5.9 2 130.9 328.7
132 2 -3 1 29.781 59.562 0.322 5.87 2 114.6 250.6
133 1 0 5 29.873 59.747 0.323 5.83 2 62.8 74.8
134 2 1 3 29.967 59.934 0.324 5.79 2 17.4 5.7
135 1 -1 5 29.973 59.945 0.324 5.79 2 82.4 127.6
136 0 -4 1 30.16 60.32 0.326 5.71 2 180.0 600.7
137 0 4 0 30.183 60.367 0.326 5.7 2 57.3 60.9
138 2 -2 3 30.211 60.421 0.327 5.68 2 180.0 599.0
139 -2 3 2 30.35 60.699 0.328 5.63 2 40.1 29.3
140 -2 0 5 30.35 60.7 0.328 5.63 2 3.3 0.2
141 -3 0 1 30.416 60.832 0.329 5.6 2 11.8 2.5
142 2 2 2 30.548 61.095 0.33 5.55 2 118.5 253.0
143 -2 2 4 30.608 61.216 0.331 5.52 2 24.0 10.4
144 -3 1 1 30.741 61.482 0.332 5.47 2 32.3 18.5
145 -2 -2 4 30.749 61.497 0.332 5.46 2 15.7 4.4
146 -1 -3 4 30.75 61.501 0.332 5.46 2 42.5 32.0
147 1 2 4 30.754 61.508 0.332 5.46 2 0.5 0.0
148 -3 0 2 30.859 61.719 0.333 5.42 2 65.6 75.8
149 3 0 0 30.974 61.948 0.334 5.38 2 36.0 22.6
150 -1 4 0 30.989 61.978 0.334 5.37 2 122.8 263.2
151 0 -4 2 31.139 62.277 0.336 5.31 2 60.6 63.5
152 -3 1 0 31.166 62.332 0.336 5.3 2 25.5 11.2
153 0 4 1 31.207 62.414 0.336 5.29 2 59.2 60.3
154 -1 2 5 31.224 62.448 0.336 5.28 2 12.1 2.5
155 -2 -1 5 31.283 62.567 0.337 5.26 2 1.1 0.0
156 -3 1 2 31.311 62.622 0.337 5.25 2 101.2 174.8
157 1 -4 1 31.316 62.632 0.337 5.25 2 79.6 108.3
158 -2 1 5 31.472 62.944 0.339 5.19 2 73.8 91.9
159 -1 0 6 31.497 62.994 0.339 5.18 2 105.2 186.4
160 2 -3 2 31.595 63.191 0.34 5.15 2 20.1 6.8
161 0 2 5 31.62 63.24 0.34 5.14 2 47.9 38.3
162 -1 4 1 31.652 63.304 0.341 5.13 2 28.2 13.3
163 0 0 6 31.689 63.379 0.341 5.11 2 52.5 45.8
164 -2 -3 1 31.719 63.438 0.341 5.1 2 57.5 54.9
165 1 1 5 31.832 63.665 0.342 5.06 2 152.6 383.2
166 1 -3 4 31.884 63.768 0.343 5.05 2 82.0 110.4
167 0 -1 6 31.931 63.861 0.343 5.03 2 41.9 28.7
168 -1 -1 6 32.012 64.025 0.344 5.0 2 73.9 88.9
169 -2 -3 2 32.113 64.226 0.345 4.97 2 40.3 26.2
170 1 -2 5 32.119 64.238 0.345 4.97 2 21.1 7.2
171 2 -1 4 32.128 64.256 0.345 4.96 2 11.9 2.3
172 -3 -1 1 32.136 64.271 0.345 4.96 2 39.1 24.6
173 2 0 4 32.177 64.355 0.346 4.95 2 168.7 457.8
174 -1 3 4 32.194 64.388 0.346 4.94 2 45.0 32.6
175 -3 0 3 32.28 64.56 0.347 4.91 2 18.1 5.2
176 2 3 0 32.303 64.605 0.347 4.9 2 95.5 145.3
177 1 3 3 32.437 64.874 0.348 4.86 2 80.7 103.0
178 -3 -1 2 32.439 64.878 0.348 4.86 2 62.9 62.6
179 3 0 1 32.503 65.007 0.349 4.84 2 114.3 205.7
180 -2 3 3 32.509 65.018 0.349 4.84 2 12.4 2.4
181 0 3 4 32.512 65.025 0.349 4.84 2 112.8 200.1
182 3 -1 1 32.564 65.128 0.349 4.82 2 2.5 0.1
183 1 -4 2 32.616 65.232 0.35 4.8 2 48.2 36.2
184 3 1 0 32.803 65.606 0.352 4.74 2 23.2 8.3
185 -1 -4 1 32.807 65.614 0.352 4.74 2 80.1 98.9
186 -3 1 3 32.847 65.693 0.352 4.73 2 57.0 49.9
187 -1 1 6 32.992 65.984 0.353 4.69 2 156.5 373.4
188 0 -4 3 33.068 66.135 0.354 4.66 2 81.7 101.2
189 -3 2 1 33.076 66.153 0.354 4.66 2 4.1 0.3
190 1 4 0 33.168 66.337 0.355 4.63 2 54.7 45.1
191 0 4 2 33.178 66.356 0.355 4.63 2 93.6 131.8
192 -1 4 2 33.272 66.544 0.356 4.6 2 94.8 134.4
193 -3 2 0 33.36 66.72 0.357 4.58 2 152.3 345.3
194 -1 -4 2 33.407 66.813 0.357 4.56 2 29.1 12.6
195 0 -3 5 33.445 66.891 0.358 4.55 2 88.1 115.0
196 0 1 6 33.447 66.894 0.358 4.55 2 14.2 3.0
197 -2 -3 3 33.466 66.933 0.358 4.55 2 53.7 42.7
198 -3 -1 3 33.699 67.398 0.36 4.48 2 5.5 0.4
199 -3 2 2 33.749 67.498 0.361 4.47 2 4.3 0.3
200 2 3 1 33.837 67.674 0.361 4.44 2 24.5 8.7
201 2 2 3 33.924 67.848 0.362 4.42 2 8.2 1.0
202 2 -2 4 34.059 68.117 0.364 4.38 2 78.5 87.8
203 0 -2 6 34.148 68.296 0.364 4.36 2 34.5 16.8
204 -2 -2 5 34.177 68.355 0.365 4.35 2 62.8 55.8
205 2 1 4 34.202 68.404 0.365 4.34 2 32.8 15.2
206 2 -3 3 34.303 68.606 0.366 4.32 2 88.5 110.0
207 -1 -3 5 34.388 68.777 0.367 4.3 2 45.2 28.6
208 3 1 1 34.412 68.824 0.367 4.29 2 46.3 29.9
209 1 4 1 34.475 68.95 0.367 4.27 2 119.5 198.5
210 -1 -2 6 34.49 68.98 0.368 4.27 2 30.8 13.1
211 -2 2 5 34.538 69.076 0.368 4.26 2 27.9 10.8
212 3 -2 1 34.589 69.177 0.368 4.25 2 0.2 0.0
213 -3 0 4 34.613 69.226 0.369 4.24 2 94.6 123.2
214 1 -4 3 34.832 69.665 0.371 4.19 2 135.9 251.2
215 3 -1 2 34.873 69.746 0.371 4.18 2 42.6 24.7
216 3 0 2 34.937 69.874 0.372 4.16 2 10.0 1.3
217 -1 -4 3 34.942 69.884 0.372 4.16 2 62.6 52.9
218 -2 0 6 34.99 69.979 0.372 4.15 2 111.0 166.2
219 -3 1 4 35.283 70.566 0.375 4.08 2 41.3 22.6
220 -3 2 3 35.351 70.703 0.376 4.06 2 26.9 9.5
221 -2 4 0 35.442 70.885 0.376 4.04 2 103.0 139.4
222 1 -1 6 35.505 71.011 0.377 4.03 2 36.6 17.5
223 -2 3 4 35.529 71.058 0.377 4.02 2 85.4 95.4
224 1 0 6 35.536 71.072 0.377 4.02 2 62.4 50.9
225 1 2 5 35.661 71.323 0.378 3.99 2 51.9 34.9
226 -2 -3 4 35.725 71.45 0.379 3.98 2 29.5 11.3
227 -2 4 1 35.738 71.475 0.379 3.98 2 8.0 0.8
228 -2 -1 6 35.738 71.476 0.379 3.98 2 79.5 81.7
229 -3 -2 1 35.739 71.479 0.379 3.98 2 102.3 135.2
230 -1 4 3 35.785 71.569 0.38 3.97 2 29.4 11.1
231 -3 -1 4 35.866 71.733 0.38 3.95 2 92.7 110.4
232 0 -4 4 35.871 71.742 0.38 3.95 2 39.8 20.4
233 -3 -2 2 35.907 71.814 0.381 3.94 2 3.5 0.2
234 0 4 3 36.02 72.039 0.382 3.92 2 42.3 22.8
235 2 -4 1 36.074 72.148 0.382 3.9 2 49.3 30.8
236 1 -3 5 36.113 72.227 0.383 3.9 2 14.9 2.8
237 -2 1 6 36.156 72.312 0.383 3.89 2 32.2 13.1
238 2 3 2 36.264 72.528 0.384 3.86 2 85.8 92.5
239 -1 2 6 36.37 72.74 0.385 3.84 2 20.4 5.2
240 1 3 4 36.437 72.875 0.386 3.83 2 4.7 0.3
241 -1 3 5 36.479 72.958 0.386 3.82 2 17.5 3.8
242 3 2 0 36.495 72.99 0.386 3.82 2 72.4 65.0
243 1 4 2 36.68 73.36 0.388 3.78 2 83.9 86.5
244 3 -2 2 36.718 73.437 0.388 3.77 2 6.5 0.5
245 3 1 2 36.906 73.811 0.39 3.74 2 12.4 1.9
246 2 -1 5 36.907 73.814 0.39 3.74 2 56.8 39.2
247 -2 4 2 36.95 73.9 0.39 3.73 2 72.7 64.0
248 -3 -2 3 36.992 73.984 0.391 3.72 2 18.1 4.0
249 0 2 6 37.061 74.122 0.391 3.71 2 175.4 370.9
250 2 0 5 37.073 74.145 0.391 3.71 2 23.3 6.6
251 0 3 5 37.102 74.203 0.392 3.7 2 26.9 8.7
252 -3 3 1 37.228 74.456 0.393 3.68 2 13.1 2.0
253 -1 0 7 37.299 74.598 0.393 3.66 2 3.4 0.1
254 -1 -4 4 37.363 74.725 0.394 3.65 2 91.9 100.3
255 1 -2 6 37.37 74.74 0.394 3.65 2 113.9 154.2
256 -3 3 0 37.379 74.757 0.394 3.65 2 12.3 1.8
257 1 1 6 37.46 74.92 0.395 3.64 2 54.2 34.7
258 2 -4 2 37.614 75.228 0.396 3.61 2 120.8 171.2
259 -1 -1 7 37.658 75.315 0.397 3.6 2 33.7 13.3
260 -3 0 5 37.787 75.574 0.398 3.58 2 13.4 2.1
261 0 0 7 37.797 75.594 0.398 3.58 2 23.3 6.3
262 2 -3 4 37.824 75.649 0.398 3.57 2 36.3 15.3
263 -3 2 4 37.833 75.666 0.398 3.57 2 11.4 1.5
264 1 -4 4 37.896 75.793 0.399 3.56 2 33.9 13.3
265 0 -1 7 37.902 75.803 0.399 3.56 2 95.1 104.6
266 -3 3 2 37.986 75.973 0.4 3.55 2 70.7 57.6
267 3 -1 3 38.024 76.048 0.4 3.54 2 122.1 171.7
268 2 2 4 38.053 76.107 0.4 3.54 2 82.6 78.4
269 3 2 1 38.152 76.304 0.401 3.52 2 41.2 19.4
270 0 -3 6 38.178 76.357 0.401 3.51 2 55.9 35.7
271 3 0 3 38.204 76.408 0.401 3.51 2 18.3 3.8
272 -2 -2 6 38.356 76.712 0.403 3.49 2 43.5 21.4
273 3 -3 1 38.435 76.869 0.404 3.47 2 38.4 16.6
274 -3 1 5 38.553 77.105 0.405 3.46 2 47.4 25.2
275 2 -2 5 38.612 77.225 0.405 3.45 2 15.8 2.8
276 -1 -3 6 38.757 77.514 0.406 3.43 2 2.3 0.1
277 0 -5 1 38.798 77.597 0.407 3.42 2 54.4 32.9
278 -1 1 7 38.807 77.614 0.407 3.42 2 65.0 47.0
279 -2 -3 5 38.827 77.655 0.407 3.41 2 78.3 68.0
280 -2 -4 1 38.854 77.709 0.407 3.41 2 29.0 9.3
281 -3 -1 5 38.883 77.766 0.407 3.41 2 17.3 3.3
282 0 5 0 38.937 77.873 0.408 3.4 2 42.2 19.7
283 -3 -2 4 38.967 77.935 0.408 3.39 2 24.1 6.4
284 -2 4 3 39.049 78.098 0.409 3.38 2 131.8 190.9
285 -2 -4 2 39.099 78.197 0.409 3.38 2 79.9 70.0
286 2 1 5 39.101 78.203 0.409 3.37 2 11.2 1.4
287 -1 4 4 39.126 78.251 0.41 3.37 2 102.2 114.5
288 -2 2 6 39.17 78.34 0.41 3.37 2 50.0 27.3
289 -2 3 5 39.342 78.684 0.412 3.34 2 110.8 133.4
290 -1 5 0 39.407 78.814 0.412 3.33 2 109.5 129.9
291 0 -4 5 39.484 78.968 0.413 3.32 2 27.3 8.1
292 2 4 0 39.507 79.015 0.413 3.32 2 2.2 0.1
293 2 3 3 39.525 79.051 0.413 3.32 2 36.5 14.4
294 0 1 7 39.549 79.098 0.413 3.31 2 68.7 50.8
295 0 -5 2 39.557 79.115 0.413 3.31 2 29.9 9.6
296 1 -5 1 39.585 79.169 0.414 3.31 2 90.3 87.7
297 -3 3 3 39.636 79.273 0.414 3.3 2 136.8 201.0
298 0 4 4 39.669 79.338 0.414 3.3 2 96.6 100.1
299 3 -2 3 39.698 79.396 0.415 3.29 2 40.3 17.4
300 1 4 3 39.732 79.464 0.415 3.29 2 52.9 29.9
301 0 -2 7 39.858 79.716 0.416 3.27 2 138.8 204.9
302 -1 -2 7 39.867 79.734 0.416 3.27 2 78.2 65.1
303 0 5 1 39.969 79.939 0.417 3.26 2 92.3 90.3
304 2 -4 3 40.026 80.053 0.417 3.25 2 49.7 26.2
305 -1 5 1 40.123 80.245 0.418 3.24 2 26.2 7.2
306 3 1 3 40.231 80.461 0.419 3.23 2 81.3 69.3
307 -2 -4 3 40.236 80.471 0.419 3.23 2 64.6 43.7
308 -2 0 7 40.261 80.521 0.42 3.22 2 30.9 10.0
309 3 -3 2 40.374 80.748 0.42 3.21 2 98.8 101.8
310 -1 -4 5 40.62 81.239 0.423 3.18 2 82.1 69.7
311 1 -5 2 40.653 81.307 0.423 3.18 2 52.2 28.2
312 3 2 2 40.677 81.354 0.423 3.17 2 60.5 37.7
313 -2 -1 7 40.859 81.719 0.425 3.15 2 26.3 7.1
314 -3 -3 1 41.034 82.067 0.426 3.13 2 20.9 4.4
315 1 -3 6 41.039 82.078 0.426 3.13 2 116.1 137.3
316 2 4 1 41.046 82.092 0.426 3.13 2 56.5 32.5
317 -3 -3 2 41.078 82.156 0.427 3.13 2 33.3 11.3
318 -3 2 5 41.15 82.299 0.427 3.12 2 123.6 155.0
319 1 3 5 41.16 82.319 0.427 3.12 2 108.0 118.4
320 1 2 6 41.185 82.37 0.427 3.12 2 35.9 13.1
321 0 -5 3 41.201 82.402 0.428 3.12 2 94.9 91.3
322 -1 -5 1 41.44 82.88 0.43 3.09 2 66.1 43.9
323 -1 3 6 41.461 82.922 0.43 3.09 2 98.7 97.9
324 -2 1 7 41.492 82.985 0.43 3.09 2 46.5 21.7
325 1 -1 7 41.575 83.149 0.431 3.08 2 88.4 78.2
326 1 0 7 41.719 83.439 0.432 3.06 2 138.0 189.6
327 -1 5 2 41.721 83.442 0.432 3.06 2 94.8 89.6
328 -3 0 6 41.758 83.516 0.432 3.06 2 19.3 3.7
329 1 -4 5 41.765 83.53 0.432 3.06 2 85.5 72.7
330 -3 -2 5 41.799 83.599 0.433 3.06 2 45.3 20.4
331 3 3 0 41.874 83.749 0.433 3.05 2 15.5 2.4
332 -1 -5 2 41.876 83.753 0.433 3.05 2 99.7 98.6
333 0 5 2 41.881 83.762 0.433 3.05 2 82.6 67.6
334 1 5 0 41.887 83.775 0.433 3.05 2 33.2 10.9
335 3 -1 4 41.976 83.951 0.434 3.04 2 38.8 14.9
336 -2 4 4 42.001 84.001 0.434 3.04 2 4.7 0.2
337 -3 -3 3 42.007 84.015 0.434 3.04 2 50.6 25.3
338 2 -3 5 42.122 84.244 0.435 3.03 2 97.3 93.1
339 -1 2 7 42.125 84.25 0.435 3.03 2 45.2 20.1
340 -3 3 4 42.153 84.306 0.436 3.02 2 17.0 2.8
341 -2 -4 4 42.249 84.498 0.436 3.02 2 50.0 24.5
342 3 0 4 42.267 84.533 0.437 3.01 2 26.9 7.1
343 2 -1 6 42.346 84.692 0.437 3.01 2 106.5 110.8
344 0 3 6 42.373 84.747 0.437 3.01 2 18.6 3.4
345 -4 0 1 42.529 85.057 0.439 2.99 2 32.6 10.4
346 -4 1 1 42.568 85.136 0.439 2.99 2 56.1 30.5
347 1 -5 3 42.599 85.197 0.439 2.99 2 64.4 40.3
348 -4 0 2 42.608 85.216 0.439 2.99 2 72.9 51.6
349 2 0 6 42.621 85.242 0.44 2.98 2 19.6 3.7
350 -3 1 6 42.621 85.242 0.44 2.98 2 34.7 11.7
351 -3 -1 6 42.714 85.428 0.44 2.98 2 15.4 2.3
352 -2 -3 6 42.74 85.48 0.441 2.97 2 71.6 49.6
353 -4 1 2 42.763 85.525 0.441 2.97 2 28.1 7.6
354 2 2 5 42.921 85.842 0.442 2.96 2 96.9 90.4
355 -3 4 1 43.037 86.075 0.443 2.95 2 107.5 111.0
356 -3 4 0 43.068 86.136 0.443 2.95 2 59.4 33.8
357 0 2 7 43.1 86.2 0.444 2.95 2 12.7 1.5
358 3 -3 3 43.173 86.346 0.444 2.94 2 73.7 52.0
359 -1 -5 3 43.194 86.387 0.444 2.94 2 39.2 14.7
360 1 5 1 43.216 86.431 0.444 2.94 2 32.0 9.8
361 1 -2 7 43.248 86.496 0.445 2.94 2 50.8 24.7
362 -4 1 0 43.255 86.509 0.445 2.93 2 72.9 50.7
363 -1 4 5 43.268 86.536 0.445 2.93 2 122.5 143.1
364 -2 5 0 43.274 86.548 0.445 2.93 2 69.5 46.0
365 -2 -2 7 43.275 86.549 0.445 2.93 2 12.1 1.4
366 2 -4 4 43.285 86.569 0.445 2.93 2 21.0 4.2
367 4 0 0 43.33 86.66 0.445 2.93 2 68.7 44.9
368 2 4 2 43.454 86.909 0.446 2.92 2 25.5 6.2
369 3 -2 4 43.501 87.003 0.447 2.92 2 14.2 1.9
370 -4 0 3 43.567 87.135 0.447 2.91 2 22.2 4.7
371 3 3 1 43.593 87.186 0.448 2.91 2 36.3 12.5
372 2 3 4 43.596 87.193 0.448 2.91 2 33.0 10.3
373 1 4 4 43.605 87.209 0.448 2.91 2 90.3 77.1
374 0 -3 7 43.607 87.214 0.448 2.91 2 63.7 38.4
375 -2 5 1 43.669 87.338 0.448 2.91 2 81.4 62.5
376 -1 0 8 43.669 87.338 0.448 2.91 2 129.2 157.7
377 1 1 7 43.68 87.361 0.448 2.91 2 9.2 0.8
378 0 -5 4 43.712 87.423 0.449 2.9 2 111.2 116.8
379 2 -5 1 43.759 87.518 0.449 2.9 2 14.3 1.9
380 -3 -3 4 43.813 87.627 0.449 2.9 2 48.5 22.2
381 -4 1 3 43.837 87.674 0.45 2.89 2 8.5 0.7
382 -1 -3 7 43.861 87.723 0.45 2.89 2 101.2 96.3
383 2 -2 6 43.886 87.771 0.45 2.89 2 86.0 69.5
384 -3 4 2 43.887 87.773 0.45 2.89 2 0.5 0.0
385 0 -4 6 43.89 87.779 0.45 2.89 2 128.6 155.4
386 -1 -1 8 43.901 87.802 0.45 2.89 2 99.1 92.2
387 -2 3 6 43.935 87.87 0.45 2.89 2 7.8 0.6
388 3 -4 1 43.978 87.956 0.451 2.89 2 24.2 5.5
389 3 2 3 44.048 88.096 0.451 2.88 2 0.6 0.0
390 0 4 5 44.112 88.223 0.452 2.88 2 39.8 14.8
391 -1 5 3 44.189 88.377 0.452 2.87 2 78.6 57.7
392 -4 -1 2 44.267 88.533 0.453 2.87 2 60.6 34.2
393 -4 -1 1 44.302 88.605 0.453 2.87 2 16.8 2.6
394 3 1 4 44.371 88.741 0.454 2.86 2 85.2 67.5
395 -4 2 1 44.421 88.842 0.454 2.86 2 32.6 9.9
396 0 -1 8 44.447 88.894 0.455 2.86 2 66.3 40.9
397 0 0 8 44.461 88.921 0.455 2.86 2 79.0 58.0
398 -2 2 7 44.53 89.061 0.455 2.85 2 125.5 146.0
399 0 5 3 44.657 89.314 0.456 2.85 2 51.6 24.7
400 -1 -4 6 44.699 89.397 0.457 2.84 2 42.4 16.6
401 2 1 6 44.708 89.417 0.457 2.84 2 68.0 42.8
402 -4 2 2 44.73 89.459 0.457 2.84 2 10.5 1.0
403 4 -1 1 44.819 89.637 0.458 2.84 2 2.8 0.1
404 -2 5 2 44.942 89.884 0.459 2.83 2 38.3 13.5
405 -4 2 0 44.991 89.982 0.459 2.83 2 11.8 1.3
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 5.023 10.046 8.79792 1776.7 31.2 31.5 5.6
2 0 1 0 7.221 14.441 6.12831 594.0 10.4 10.5 5.6
3 0 -1 1 8.424 16.847 5.25822 1578.2 27.7 27.8 5.6
4 0 1 1 9.183 18.366 4.82668 176.7 3.1 3.1 5.6
5 1 0 0 9.878 19.756 4.49011 108.9 1.9 1.9 5.6
6 0 0 2 10.085 20.17 4.39896 179.0 3.1 3.2 5.6
7 -1 0 1 10.254 20.509 4.32698 1163.9 20.4 20.5 5.6
8 -1 1 0 11.675 23.35 3.80648 1587.7 27.9 27.9 5.6
9 0 -1 2 11.89 23.78 3.73854 5081.5 89.1 89.2 5.6
10 -1 1 1 12.277 24.554 3.62249 5700.0 100.0 100.0 5.6
11 1 1 0 12.856 25.712 3.46193 3264.5 57.3 57.2 5.6
12 -1 -1 1 12.89 25.779 3.453 1835.1 32.2 32.2 5.6
13 0 1 2 12.982 25.965 3.42875 1396.7 24.5 24.5 5.6
14 1 -1 1 13.183 26.367 3.37741 81.0 1.4 1.4 5.6
15 0 2 0 14.559 29.119 3.06416 964.3 16.9 16.9 5.6
16 -1 1 2 14.749 29.497 3.02569 744.1 13.1 13.0 5.6
17 -1 -1 2 14.811 29.623 3.01318 156.6 2.7 2.7 5.6
18 0 0 3 15.228 30.456 2.93264 176.8 3.1 3.1 5.6
19 1 0 2 15.442 30.885 2.89284 4070.0 71.4 71.0 5.6
20 0 2 1 15.88 31.76 2.81514 2790.5 49.0 48.7 5.6
21 1 -1 2 16.261 32.523 2.75079 65.8 1.2 1.1 5.6
22 0 -1 3 16.3 32.6 2.74446 1104.4 19.4 19.2 5.6
23 -1 0 3 16.661 33.323 2.68658 1904.2 33.4 33.2 5.7
24 0 -2 2 17.037 34.073 2.62911 1202.5 21.1 20.9 5.7
25 -1 2 1 17.491 34.983 2.56281 500.2 8.8 8.7 5.7
26 0 1 3 17.538 35.075 2.55626 1925.3 33.8 33.5 5.7
27 1 -2 1 17.768 35.537 2.52411 1276.0 22.4 22.2 5.7
28 1 1 2 17.951 35.901 2.4993 118.5 2.1 2.1 5.7
29 -1 -1 3 18.076 36.151 2.4826 547.3 9.6 9.5 5.7
30 1 2 0 18.547 37.095 2.42159 330.5 5.8 5.7 5.7
31 0 2 2 18.613 37.226 2.41334 173.8 3.0 3.0 5.7
32 -1 2 2 19.546 39.093 2.3023 253.2 4.4 4.4 5.7
33 -1 -2 2 19.644 39.288 2.29129 1181.7 20.7 20.5 5.7
34 -2 0 1 19.785 39.57 2.27565 1184.1 20.8 20.5 5.7
35 1 -2 2 20.048 40.097 2.24695 596.2 10.5 10.3 5.7
36 1 -1 3 20.28 40.56 2.22232 588.3 10.3 10.2 5.7
37 0 0 4 20.5 41.0 2.19948 151.5 2.7 2.6 5.7
38 -2 1 0 20.701 41.403 2.17903 213.1 3.7 3.7 5.7
39 -2 0 2 20.857 41.714 2.16349 334.5 5.9 5.8 5.7
40 -1 0 4 21.173 42.347 2.13262 298.0 5.2 5.1 5.7
41 2 0 1 21.657 43.313 2.08724 268.0 4.7 4.6 5.7
42 -2 -1 1 21.718 43.435 2.08165 155.3 2.7 2.7 5.7
43 2 -1 1 22.091 44.181 2.04823 962.5 16.9 16.6 5.7
44 0 3 0 22.153 44.305 2.04277 399.8 7.0 6.9 5.7
45 0 -3 1 22.288 44.576 2.031 437.1 7.7 7.5 5.7
46 0 2 3 22.318 44.636 2.02839 263.2 4.6 4.5 5.7
47 0 1 4 22.501 45.003 2.01273 94.4 1.7 1.6 5.7
48 -2 -1 2 22.554 45.107 2.00831 71.8 1.3 1.2 5.7
49 -1 2 3 22.696 45.391 1.9964 142.7 2.5 2.5 5.7
50 -1 1 4 22.786 45.572 1.98888 65.7 1.2 1.1 5.7
51 1 2 2 22.84 45.68 1.98444 433.0 7.6 7.5 5.7
52 0 3 1 23.253 46.507 1.95108 229.3 4.0 3.9 5.7
53 0 -3 2 23.642 47.285 1.92077 344.6 6.0 5.9 5.7
54 2 1 1 23.777 47.554 1.91052 346.6 6.1 6.0 5.7
55 -2 2 1 23.941 47.881 1.89823 98.8 1.7 1.7 5.7
56 1 -3 1 24.031 48.062 1.8915 341.1 6.0 5.9 5.7
57 -1 3 1 24.125 48.249 1.8846 568.0 10.0 9.7 5.7
58 0 -2 4 24.335 48.67 1.86927 783.4 13.7 13.4 5.7
59 -2 -1 3 24.549 49.099 1.85396 221.2 3.9 3.8 5.7
60 2 -1 2 24.596 49.191 1.8507 143.0 2.5 2.5 5.7
61 1 -1 4 24.894 49.789 1.82987 670.6 11.8 11.5 5.7
62 2 -2 1 24.974 49.949 1.82438 207.2 3.6 3.5 5.7
63 -2 2 2 25.168 50.336 1.81125 1236.9 21.7 21.2 5.8
64 1 3 0 25.434 50.869 1.79353 324.3 5.7 5.5 5.8
65 1 -3 2 25.712 51.424 1.77545 99.7 1.7 1.7 5.8
66 -1 3 2 25.89 51.78 1.76408 522.9 9.2 8.9 5.8
67 0 0 5 25.961 51.922 1.75958 970.1 17.0 16.6 5.8
68 -1 -3 2 26.008 52.016 1.75665 305.2 5.4 5.2 5.8
69 -2 0 4 26.359 52.718 1.7349 467.7 8.2 8.0 5.8
70 1 2 3 26.451 52.902 1.72929 1299.2 22.8 22.2 5.8
71 -1 2 4 26.646 53.292 1.71755 849.0 14.9 14.5 5.8
72 1 1 4 26.693 53.386 1.71475 383.3 6.7 6.5 5.8
73 1 3 1 26.817 53.635 1.70738 192.4 3.4 3.3 5.8
74 -1 -1 5 26.857 53.715 1.70502 259.3 4.5 4.4 5.8
75 1 -2 4 27.436 54.872 1.67177 662.2 11.6 11.3 5.8
76 -2 -1 4 27.518 55.036 1.66719 219.0 3.8 3.7 5.8
77 -1 1 5 27.666 55.331 1.65897 139.7 2.5 2.4 5.8
78 -1 -3 3 27.916 55.832 1.64529 150.2 2.6 2.6 5.8
79 -2 -2 3 28.149 56.298 1.63277 545.4 9.6 9.3 5.8
80 1 -3 3 28.381 56.762 1.6205 214.4 3.8 3.6 5.8
81 0 3 3 28.605 57.209 1.60889 333.6 5.9 5.7 5.8
82 -2 3 0 28.946 57.891 1.59156 240.8 4.2 4.1 5.8
83 1 3 2 29.196 58.392 1.57909 68.8 1.2 1.2 5.8
84 0 -3 4 29.386 58.772 1.56978 225.0 3.9 3.8 5.8
85 -1 -2 5 29.718 59.436 1.55383 328.7 5.8 5.6 5.8
86 2 -3 1 29.781 59.562 1.55084 250.6 4.4 4.2 5.8
87 1 0 5 29.873 59.747 1.54648 74.8 1.3 1.3 5.8
88 1 -1 5 29.973 59.945 1.54184 133.3 2.3 2.3 5.8
89 0 -4 1 30.16 60.32 1.53315 661.5 11.6 11.2 5.8
90 2 -2 3 30.211 60.421 1.53083 599.0 10.5 10.1 5.8
91 2 2 2 30.548 61.095 1.51554 253.0 4.4 4.3 5.8
92 -3 0 2 30.859 61.719 1.50172 75.8 1.3 1.3 5.8
93 -1 4 0 30.989 61.978 1.49606 285.8 5.0 4.8 5.8
94 0 -4 2 31.139 62.277 1.48959 74.7 1.3 1.3 5.8
95 0 4 1 31.207 62.414 1.48665 62.9 1.1 1.1 5.8
96 -3 1 2 31.311 62.622 1.48221 283.0 5.0 4.8 5.8
97 -1 0 6 31.497 62.994 1.47435 278.4 4.9 4.7 5.9
98 1 1 5 31.832 63.665 1.46043 383.2 6.7 6.4 5.9
99 1 -3 4 31.884 63.768 1.45832 110.4 1.9 1.9 5.9
100 -1 -1 6 32.012 64.025 1.45308 88.9 1.6 1.5 5.9
101 -2 -3 2 32.113 64.226 1.449 60.3 1.1 1.0 5.9
102 2 0 4 32.177 64.355 1.44642 490.4 8.6 8.2 5.9
103 2 3 0 32.303 64.605 1.44142 150.5 2.6 2.5 5.9
104 1 3 3 32.437 64.874 1.4361 165.6 2.9 2.8 5.9
105 3 0 1 32.503 65.007 1.43348 408.2 7.2 6.8 5.9
106 -1 -4 1 32.807 65.614 1.42167 107.1 1.9 1.8 5.9
107 -1 1 6 32.992 65.984 1.4146 373.4 6.6 6.2 5.9
108 0 -4 3 33.068 66.135 1.41173 101.4 1.8 1.7 5.9
109 0 4 2 33.178 66.356 1.40757 176.9 3.1 3.0 5.9
110 -1 4 2 33.272 66.544 1.40404 134.4 2.4 2.2 5.9
111 -3 2 0 33.36 66.72 1.40076 345.3 6.1 5.8 5.9
112 0 -3 5 33.445 66.891 1.39761 160.6 2.8 2.7 5.9
113 2 -2 4 34.059 68.117 1.3754 87.8 1.5 1.5 5.9
114 -2 -2 5 34.177 68.355 1.3712 87.8 1.5 1.5 5.9
115 2 -3 3 34.303 68.606 1.36679 110.0 1.9 1.8 5.9
116 3 1 1 34.412 68.824 1.36299 58.5 1.0 1.0 5.9
117 1 4 1 34.475 68.95 1.36081 211.6 3.7 3.5 5.9
118 -3 0 4 34.613 69.226 1.35606 123.2 2.2 2.1 5.9
119 1 -4 3 34.832 69.665 1.34859 251.2 4.4 4.2 5.9
120 -2 0 6 34.99 69.979 1.34329 166.2 2.9 2.8 5.9
121 -2 4 0 35.442 70.885 1.32833 139.4 2.4 2.3 5.9
122 -2 3 4 35.529 71.058 1.32551 163.9 2.9 2.7 5.9
123 -3 -2 1 35.739 71.479 1.31875 229.0 4.0 3.8 5.9
124 -3 -1 4 35.866 71.733 1.31471 130.8 2.3 2.2 5.9
125 2 3 2 36.264 72.528 1.30223 92.5 1.6 1.5 5.9
126 3 2 0 36.495 72.99 1.29513 68.8 1.2 1.1 6.0
127 1 4 2 36.68 73.36 1.2895 86.5 1.5 1.4 6.0
128 -2 4 2 36.95 73.9 1.28141 64.0 1.1 1.1 6.0
129 0 2 6 37.061 74.122 1.27813 377.4 6.6 6.2 6.0
130 1 -2 6 37.37 74.74 1.26908 256.3 4.5 4.2 6.0
131 2 -4 2 37.614 75.228 1.26206 171.2 3.0 2.8 6.0
132 0 -1 7 37.902 75.803 1.2539 117.9 2.1 1.9 6.0
133 -3 3 2 37.986 75.973 1.25152 57.6 1.0 0.9 6.0
134 3 -1 3 38.024 76.048 1.25047 250.1 4.4 4.1 6.0
135 0 -3 6 38.178 76.357 1.24618 59.0 1.0 1.0 6.0
136 -2 -3 5 38.827 77.655 1.22856 160.5 2.8 2.6 6.0
137 -2 4 3 39.049 78.098 1.2227 190.9 3.3 3.1 6.0
138 -1 4 4 39.126 78.251 1.22068 186.0 3.3 3.0 6.0
139 -2 3 5 39.342 78.684 1.21505 133.4 2.3 2.2 6.0
140 -1 5 0 39.407 78.814 1.21338 129.9 2.3 2.1 6.0
141 0 1 7 39.549 79.098 1.20973 65.2 1.1 1.1 6.0
142 1 -5 1 39.585 79.169 1.20882 97.3 1.7 1.6 6.0
143 -3 3 3 39.636 79.273 1.2075 201.0 3.5 3.3 6.0
144 0 4 4 39.669 79.338 1.20667 117.4 2.1 1.9 6.0
145 0 -2 7 39.858 79.716 1.20189 270.0 4.7 4.4 6.0
146 0 5 1 39.969 79.939 1.19911 90.3 1.6 1.5 6.0
147 3 1 3 40.231 80.461 1.19263 123.0 2.2 2.0 6.0
148 3 -3 2 40.374 80.748 1.18912 101.8 1.8 1.7 6.1
149 -1 -4 5 40.62 81.239 1.18317 69.7 1.2 1.1 6.1
150 3 2 2 40.677 81.354 1.18178 65.9 1.2 1.1 6.1
151 2 4 1 41.046 82.092 1.17301 174.3 3.1 2.8 6.1
152 -3 2 5 41.15 82.299 1.17059 273.4 4.8 4.4 6.1
153 0 -5 3 41.201 82.402 1.1694 104.3 1.8 1.7 6.1
154 -1 3 6 41.461 82.922 1.16337 141.8 2.5 2.3 6.1
155 1 -1 7 41.575 83.149 1.16077 78.2 1.4 1.3 6.1
156 1 0 7 41.719 83.439 1.15748 279.2 4.9 4.5 6.1
157 1 -4 5 41.765 83.53 1.15644 76.4 1.3 1.2 6.1
158 1 5 0 41.887 83.775 1.15368 179.5 3.1 2.9 6.1
159 2 -3 5 42.122 84.244 1.14846 113.2 2.0 1.8 6.1
160 2 -1 6 42.346 84.692 1.14352 114.2 2.0 1.8 6.1
161 1 -5 3 42.599 85.197 1.13802 137.8 2.4 2.2 6.1
162 -2 -3 6 42.74 85.48 1.13498 59.6 1.0 1.0 6.1
163 2 2 5 42.921 85.842 1.13111 90.4 1.6 1.5 6.1
164 -3 4 1 43.037 86.075 1.12866 144.8 2.5 2.3 6.1
165 3 -3 3 43.173 86.346 1.1258 66.7 1.2 1.1 6.1
166 -2 5 0 43.274 86.548 1.12369 270.1 4.7 4.3 6.1
167 1 4 4 43.605 87.209 1.11687 143.0 2.5 2.3 6.2
168 -1 0 8 43.669 87.338 1.11555 221.1 3.9 3.5 6.2
169 0 -5 4 43.712 87.423 1.11469 116.8 2.0 1.9 6.2
170 0 -4 6 43.89 87.779 1.11108 413.4 7.3 6.6 6.2
171 -1 5 3 44.189 88.377 1.1051 57.7 1.0 0.9 6.2
172 3 1 4 44.371 88.741 1.1015 67.5 1.2 1.1 6.2
173 0 0 8 44.461 88.921 1.09974 108.7 1.9 1.7 6.2
174 -2 2 7 44.53 89.061 1.09838 146.0 2.6 2.3 6.2
175 2 1 6 44.708 89.417 1.09493 60.4 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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