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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RANSOMITE
1
CuFe(2)[SO(4)](4).6H(2)O
Monoclinic P 2(1)/c Z = 2
P2(1)/c
20 .5 .1988
Ref.Str.:
Wood M.M. (1970)
* Amer. Mineral., 55, 729-734
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.811 alpha = 90.0
b = 16.217 beta = 93.02
c = 10.403 gamma = 90.0
Unit cell volume (cub. angs.) = 810.51
Molar volume ( cub.cm/mol.) = 244.1
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 0.0 Cu = 1.00
2 0.7377 0.6272 0.0223 0.0 Fe = 1.00
3 0.7906 0.2869 0.1399 0.0 S = 1.00
4 0.2502 0.5298 0.1704 0.0 S = 1.00
5 0.0309 0.2144 0.5549 0.0 O = 1.00
6 0.588 0.147 0.5927 0.0 O = 1.00
7 0.6687 0.2922 0.6322 0.0 O = 1.00
8 0.8927 0.1906 0.7713 0.0 O = 1.00
9 0.1427 0.4554 0.0999 0.0 O = 1.00
10 0.0705 0.5999 0.1405 0.0 O = 1.00
11 0.534 0.5474 0.1267 0.0 O = 1.00
12 0.2217 0.5128 0.3098 0.0 O = 1.00
13 0.715 0.0661 0.9072 0.0 O = 1.00
14 0.3508 0.2814 0.857 0.0 O = 1.00
15 0.1937 0.1065 0.0483 0.0 O = 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 0.7377 0.6272 0.0223
3 3 0.7906 0.2869 0.1399
4 4 0.2502 0.5298 0.1704
5 5 0.0309 0.2144 0.5549
6 6 0.588 0.147 0.5927
7 7 0.6687 0.2922 0.6322
8 8 0.8927 0.1906 0.7713
9 9 0.1427 0.4554 0.0999
10 10 0.0705 0.5999 0.1405
11 11 0.534 0.5474 0.1267
12 12 0.2217 0.5128 0.3098
13 13 0.715 0.0661 0.9072
14 14 0.3508 0.2814 0.857
15 15 0.1937 0.1065 0.0483
16 1 0.0 0.5 0.5
17 2 0.2623 0.1272 0.4777
18 3 0.2094 0.7869 0.3601
19 4 0.7498 0.0298 0.3296
20 5 0.9691 0.7144 0.9451
21 6 0.412 0.647 0.9073
22 7 0.3313 0.7922 0.8678
23 8 0.1073 0.6906 0.7287
24 9 0.8573 0.9554 0.4001
25 10 0.9295 0.0999 0.3595
26 11 0.466 0.0474 0.3733
27 12 0.7783 0.0128 0.1902
28 13 0.285 0.5661 0.5928
29 14 0.6492 0.7814 0.643
30 15 0.8063 0.6065 0.4517
31 2 0.7377 0.8728 0.5223
32 3 0.7906 0.2131 0.6399
33 4 0.2502 0.9702 0.6704
34 5 0.0309 0.2856 0.0549
35 6 0.588 0.353 0.0927
36 7 0.6687 0.2078 0.1322
37 8 0.8927 0.3094 0.2713
38 9 0.1427 0.0446 0.5999
39 10 0.0705 0.9001 0.6405
40 11 0.534 0.9526 0.6267
41 12 0.2217 0.9872 0.8098
42 13 0.715 0.4339 0.4072
43 14 0.3508 0.2186 0.357
44 15 0.1937 0.3935 0.5483
45 2 0.2623 0.3728 0.9777
46 3 0.2094 0.7131 0.8601
47 4 0.7498 0.4702 0.8296
48 5 0.9691 0.7856 0.4451
49 6 0.412 0.853 0.4073
50 7 0.3313 0.7078 0.3678
51 8 0.1073 0.8094 0.2287
52 9 0.8573 0.5446 0.9001
53 10 0.9295 0.4001 0.8595
54 11 0.466 0.4526 0.8733
55 12 0.7783 0.4872 0.6902
56 13 0.285 0.9339 0.0928
57 14 0.6492 0.7186 0.143
58 15 0.8063 0.8935 0.9517
X-ray density (g/cm cub.) = 2.68
MU (1/cm) = 142.5 Mass attenuation coefficient (cm**2/g) = 53.075
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 2.808 6
1.9549 13
2.0136 15
2.3061 12
2.3061 12
1.9549 13
2.0136 15
2 Fe 2.592 6
2.016 10
1.9816 11
1.9946 5
1.9473 6
1.9541 9
2.0028 14
3 S 1.98 4
1.4922 5
1.5132 6
1.411 7
1.4739 8
4 S 1.98 4
1.4904 9
1.452 10
1.4892 11
1.4896 12
5 O 3.264 8
2.902 6
2.445 6
2.3287 7
2.4118 8
2.7773 10
2.8398 9
2.6355 14
3.0099 15
6 O 3.264 10
2.445 5
2.902 5
2.4181 7
2.4112 8
3.0965 10
2.8323 11
3.1407 9
2.7147 9
3.1845 11
2.8927 14
7 O 3.264 8
2.3287 5
2.4181 6
2.4095 8
2.8663 14
3.1737 15
2.9108 15
3.1488 10
3.2571 12
8 O 3.264 7
2.4118 5
2.4112 6
2.4095 7
2.6331 13
2.7592 14
3.1631 14
3.2339 9
9 O 3.264 10
2.4095 10
2.4067 11
2.3857 12
2.8398 5
2.7147 6
3.1407 6
3.2339 8
2.828 9
2.8001 10
2.8922 11
10 O 3.264 9
2.4095 9
2.3983 11
2.7145 11
2.3433 12
2.7773 5
3.0965 6
3.1488 7
2.8001 9
2.7964 14
11 O 3.264 9
2.4067 9
2.7145 10
2.3983 10
2.5499 12
2.8323 6
3.1845 6
2.8922 9
3.0543 11
2.8345 14
12 O 3.264 9
2.3857 9
2.3433 10
2.5499 11
3.068 13
2.9653 15
2.836 13
2.9777 13
3.1547 15
3.2571 7
13 O 3.264 7
2.6331 8
2.7444 15
3.0433 15
3.068 12
2.9777 12
2.836 12
2.8671 15
14 O 3.264 7
2.8663 7
3.1631 8
2.7592 8
2.6355 5
2.8927 6
2.7964 10
2.8345 11
15 O 3.264 8
3.0433 13
2.7444 13
2.9653 12
3.0099 5
2.9108 7
3.1737 7
3.1547 12
2.8671 13
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 1 1 5.869 11.738 0.057 188.32 4 71.7 589.3
2 0 2 0 6.333 12.667 0.062 161.39 2 61.9 188.2
3 0 2 1 8.044 16.088 0.078 99.19 4 17.7 19.0
4 0 0 2 9.916 19.832 0.096 64.53 2 119.1 278.7
5 0 1 2 10.417 20.835 0.101 58.26 4 42.2 63.2
6 1 0 0 10.73 21.46 0.104 54.8 2 81.7 111.3
7 0 3 1 10.75 21.5 0.104 54.58 4 139.5 646.6
8 1 1 0 11.197 22.393 0.109 50.15 4 16.7 8.5
9 0 2 2 11.8 23.601 0.114 44.94 4 36.8 37.0
10 1 1 -1 12.028 24.057 0.116 43.17 4 19.8 10.3
11 1 1 1 12.495 24.989 0.121 39.86 4 100.5 245.2
12 1 2 0 12.498 24.996 0.121 39.84 4 38.1 35.2
13 0 4 0 12.746 25.491 0.123 38.23 2 62.5 45.5
14 1 2 -1 13.253 26.506 0.128 35.2 4 56.1 67.4
15 1 2 1 13.68 27.36 0.132 32.91 4 82.4 136.2
16 0 4 1 13.699 27.399 0.132 32.82 4 85.1 144.6
17 0 3 2 13.817 27.633 0.133 32.23 4 110.5 239.4
18 1 0 -2 14.291 28.583 0.138 29.99 2 9.4 0.8
19 1 3 0 14.423 28.846 0.139 29.41 4 68.3 83.4
20 1 1 -2 14.652 29.303 0.141 28.44 4 85.1 125.4
21 1 0 2 15.081 30.162 0.145 26.74 2 76.5 47.6
22 1 3 -1 15.089 30.178 0.146 26.71 4 60.6 59.7
23 0 1 3 15.315 30.63 0.148 25.87 4 81.6 105.0
24 1 1 2 15.424 30.848 0.149 25.47 4 112.6 196.8
25 1 3 1 15.47 30.939 0.149 25.31 4 165.4 421.9
26 1 2 -2 15.687 31.374 0.151 24.56 4 185.2 512.9
27 0 4 2 16.252 32.505 0.156 22.76 4 88.6 108.9
28 0 2 3 16.312 32.624 0.157 22.58 4 25.2 8.8
29 1 2 2 16.415 32.831 0.158 22.27 4 82.5 92.3
30 1 4 0 16.779 33.558 0.161 21.24 4 61.4 48.8
31 0 5 1 16.793 33.585 0.161 21.2 4 38.9 19.5
32 1 3 -2 17.288 34.577 0.166 19.9 4 81.8 81.1
33 1 4 -1 17.363 34.727 0.167 19.71 4 42.8 22.0
34 1 4 1 17.7 35.401 0.17 18.9 4 25.5 7.5
35 0 3 3 17.864 35.728 0.171 18.52 4 116.4 152.8
36 1 3 2 17.959 35.918 0.172 18.31 4 62.1 43.0
37 1 1 -3 18.373 36.747 0.176 17.41 4 114.6 139.2
38 0 5 2 18.973 37.946 0.182 16.22 4 33.3 10.9
39 1 2 -3 19.23 38.461 0.184 15.75 4 91.5 80.2
40 1 1 3 19.323 38.646 0.185 15.58 4 3.5 0.1
41 0 6 0 19.325 38.651 0.185 15.58 2 48.4 11.1
42 1 4 -2 19.334 38.668 0.185 15.56 4 55.3 29.0
43 1 5 0 19.435 38.87 0.186 15.38 4 103.2 99.7
44 0 4 3 19.858 39.717 0.19 14.67 4 15.8 2.2
45 1 4 2 19.946 39.891 0.191 14.52 4 88.0 68.5
46 1 5 -1 19.952 39.904 0.191 14.51 4 13.8 1.7
47 0 6 1 19.996 39.992 0.191 14.44 4 3.8 0.1
48 0 0 4 20.145 40.291 0.193 14.21 2 45.3 8.9
49 1 2 3 20.146 40.292 0.193 14.2 4 62.9 34.2
50 1 5 1 20.252 40.504 0.193 14.04 4 46.3 18.4
51 0 1 4 20.413 40.827 0.195 13.79 4 26.4 5.9
52 1 3 -3 20.591 41.183 0.197 13.53 4 12.9 1.4
53 0 2 4 21.201 42.402 0.202 12.67 4 44.9 15.5
54 1 3 3 21.458 42.917 0.204 12.33 4 64.9 31.6
55 1 5 -2 21.723 43.446 0.207 12.0 4 104.5 79.8
56 2 0 0 21.861 43.722 0.208 11.83 2 120.6 52.4
57 0 6 2 21.904 43.808 0.209 11.78 4 9.3 0.6
58 2 1 0 22.112 44.224 0.21 11.53 4 22.7 3.6
59 0 5 3 22.201 44.402 0.211 11.43 4 92.7 59.8
60 1 5 2 22.28 44.561 0.212 11.33 4 35.2 8.5
61 1 6 0 22.316 44.631 0.212 11.29 4 33.8 7.9
62 1 4 -3 22.382 44.763 0.213 11.22 4 5.1 0.2
63 2 1 -1 22.442 44.883 0.213 11.15 4 35.1 8.4
64 0 3 4 22.463 44.926 0.214 11.13 4 0.3 0.0
65 1 0 -4 22.506 45.012 0.214 11.08 2 82.6 23.0
66 1 1 -4 22.751 45.503 0.216 10.81 4 72.8 34.9
67 1 6 -1 22.779 45.558 0.216 10.78 4 118.9 92.8
68 2 2 0 22.852 45.704 0.217 10.7 4 17.0 1.9
69 2 1 1 22.985 45.97 0.218 10.56 4 100.8 65.3
70 1 6 1 23.049 46.097 0.219 10.5 4 41.6 11.1
71 2 2 -1 23.173 46.347 0.22 10.37 4 40.1 10.2
72 1 4 3 23.195 46.389 0.22 10.35 4 13.9 1.2
73 0 7 1 23.302 46.604 0.221 10.24 4 19.5 2.4
74 1 2 -4 23.475 46.951 0.223 10.07 4 15.8 1.5
75 1 0 4 23.581 47.161 0.224 9.97 2 88.4 23.7
76 2 0 -2 23.699 47.398 0.225 9.86 2 98.1 28.9
77 2 2 1 23.704 47.407 0.225 9.85 4 21.0 2.6
78 1 1 4 23.817 47.635 0.226 9.75 4 118.0 82.7
79 2 1 -2 23.935 47.869 0.227 9.64 4 54.7 17.5
80 2 3 0 24.046 48.092 0.228 9.54 4 33.0 6.3
81 0 4 4 24.143 48.285 0.229 9.45 4 61.4 21.7
82 2 3 -1 24.355 48.71 0.231 9.27 4 25.1 3.6
83 1 6 -2 24.385 48.769 0.231 9.24 4 6.5 0.2
84 1 2 4 24.517 49.035 0.232 9.13 4 40.4 9.1
85 1 5 -3 24.53 49.06 0.232 9.12 4 21.7 2.6
86 2 2 -2 24.632 49.264 0.233 9.03 4 48.2 12.8
87 1 3 -4 24.646 49.292 0.233 9.02 4 39.8 8.7
88 2 0 2 24.734 49.467 0.234 8.95 2 71.5 13.9
89 0 6 3 24.822 49.645 0.235 8.87 4 60.9 20.0
90 2 3 1 24.866 49.732 0.235 8.84 4 41.8 9.4
91 1 6 2 24.896 49.791 0.235 8.81 4 48.6 12.7
92 2 1 2 24.962 49.924 0.236 8.76 4 25.5 3.5
93 0 7 2 25.008 50.017 0.236 8.72 4 0.6 0.0
94 1 5 3 25.29 50.58 0.239 8.5 4 48.3 12.1
95 1 7 0 25.381 50.762 0.24 8.43 4 116.7 69.9
96 2 2 2 25.639 51.278 0.242 8.24 4 64.0 20.6
97 2 4 0 25.646 51.292 0.242 8.24 4 58.7 17.3
98 1 3 4 25.652 51.305 0.242 8.23 4 47.7 11.4
99 0 1 5 25.723 51.446 0.243 8.18 4 41.2 8.4
100 2 3 -2 25.763 51.527 0.243 8.15 4 32.8 5.3
101 1 7 -1 25.802 51.604 0.243 8.12 4 42.6 9.0
102 2 4 -1 25.941 51.882 0.245 8.03 4 2.9 0.0
103 1 7 1 26.048 52.096 0.245 7.95 4 145.9 103.0
104 0 5 4 26.181 52.362 0.247 7.86 4 36.9 6.5
105 0 8 0 26.183 52.367 0.247 7.86 2 76.4 14.0
106 1 4 -4 26.219 52.438 0.247 7.83 4 110.4 58.1
107 0 2 5 26.386 52.771 0.248 7.72 4 3.4 0.1
108 2 4 1 26.43 52.86 0.249 7.69 4 6.2 0.2
109 2 1 -3 26.441 52.883 0.249 7.68 4 36.9 6.4
110 0 8 1 26.716 53.432 0.251 7.51 4 32.4 4.8
111 2 3 2 26.739 53.479 0.252 7.49 4 29.3 3.9
112 1 6 -3 26.981 53.961 0.254 7.34 4 98.7 43.6
113 2 2 -3 27.092 54.183 0.255 7.27 4 11.0 0.5
114 1 4 4 27.184 54.367 0.255 7.21 4 23.4 2.4
115 1 7 -2 27.275 54.55 0.256 7.16 4 49.0 10.5
116 2 4 -2 27.29 54.581 0.256 7.15 4 152.2 100.9
117 0 3 5 27.465 54.93 0.258 7.05 4 66.4 18.9
118 1 1 -5 27.596 55.193 0.259 6.97 4 143.5 87.4
119 2 5 0 27.604 55.208 0.259 6.97 4 1.2 0.0
120 0 7 3 27.68 55.359 0.26 6.92 4 38.3 6.2
121 1 6 3 27.692 55.384 0.26 6.92 4 18.4 1.4
122 1 7 2 27.747 55.495 0.26 6.89 4 9.6 0.4
123 2 1 3 27.871 55.743 0.261 6.82 4 119.4 59.1
124 2 5 -1 27.885 55.77 0.261 6.81 4 68.7 19.6
125 1 5 -4 28.15 56.299 0.264 6.66 4 48.9 9.7
126 2 3 -3 28.153 56.305 0.264 6.66 4 24.8 2.5
127 1 2 -5 28.228 56.457 0.264 6.62 4 37.1 5.6
128 2 4 2 28.23 56.459 0.264 6.62 4 179.7 130.2
129 0 8 2 28.272 56.544 0.265 6.6 4 121.8 59.6
130 2 5 1 28.35 56.701 0.265 6.56 4 4.9 0.1
131 2 2 3 28.499 56.999 0.267 6.48 4 28.4 3.2
132 0 6 4 28.531 57.061 0.267 6.46 4 83.7 27.6
133 1 8 0 28.615 57.229 0.268 6.42 4 40.3 6.3
134 1 1 5 28.759 57.518 0.269 6.35 4 27.0 2.8
135 0 4 5 28.93 57.86 0.27 6.26 4 16.7 1.1
136 1 8 -1 29.003 58.006 0.271 6.23 4 23.6 2.1
137 1 5 4 29.071 58.141 0.272 6.2 4 14.8 0.8
138 2 5 -2 29.173 58.345 0.272 6.15 4 23.5 2.1
139 1 8 1 29.231 58.461 0.273 6.12 4 2.6 0.0
140 1 3 -5 29.262 58.524 0.273 6.11 4 48.0 8.6
141 1 2 5 29.375 58.749 0.274 6.05 4 45.1 7.5
142 2 3 3 29.527 59.054 0.275 5.98 4 0.6 0.0
143 2 0 -4 29.585 59.169 0.276 5.96 2 59.4 6.4
144 2 4 -3 29.595 59.191 0.276 5.95 4 14.0 0.7
145 1 7 -3 29.693 59.387 0.277 5.91 4 70.8 18.0
146 2 1 -4 29.787 59.575 0.278 5.87 4 57.6 11.8
147 2 6 0 29.879 59.757 0.278 5.83 4 31.8 3.6
148 2 5 2 30.074 60.147 0.28 5.74 4 3.3 0.0
149 2 6 -1 30.145 60.291 0.281 5.71 4 3.7 0.0
150 0 9 1 30.253 60.505 0.282 5.67 4 3.2 0.0
151 1 7 3 30.364 60.727 0.283 5.62 4 32.1 3.5
152 1 8 -2 30.371 60.743 0.283 5.62 4 20.5 1.4
153 1 3 5 30.384 60.767 0.283 5.61 4 45.8 7.2
154 2 2 -4 30.39 60.78 0.283 5.61 4 23.4 1.9
155 1 6 -4 30.398 60.796 0.283 5.61 4 30.0 3.1
156 2 6 1 30.589 61.178 0.284 5.53 4 0.5 0.0
157 1 4 -5 30.672 61.344 0.285 5.5 4 45.7 7.0
158 0 5 5 30.748 61.496 0.286 5.47 4 104.8 36.6
159 0 8 3 30.75 61.5 0.286 5.46 4 26.3 2.3
160 1 8 2 30.813 61.627 0.286 5.44 4 75.9 19.1
161 2 4 3 30.929 61.859 0.287 5.39 4 60.7 12.1
162 0 0 6 31.105 62.209 0.289 5.33 2 114.9 21.4
163 0 7 4 31.156 62.313 0.289 5.31 4 38.1 4.7
164 1 6 4 31.277 62.555 0.29 5.26 4 97.4 30.4
165 0 1 6 31.301 62.603 0.29 5.25 4 47.9 7.4
166 2 0 4 31.356 62.713 0.291 5.23 2 4.6 0.0
167 2 6 -2 31.375 62.75 0.291 5.23 4 62.7 12.5
168 2 3 -4 31.379 62.759 0.291 5.23 4 7.2 0.2
169 2 5 -3 31.39 62.779 0.291 5.22 4 40.5 5.2
170 2 1 4 31.552 63.104 0.293 5.16 4 47.3 7.0
171 0 9 2 31.697 63.393 0.294 5.11 4 33.1 3.4
172 1 4 5 31.764 63.527 0.294 5.09 4 59.4 10.9
173 0 2 6 31.887 63.775 0.295 5.04 4 58.7 10.6
174 1 9 0 32.017 64.033 0.296 5.0 4 50.6 7.8
175 2 2 4 32.136 64.271 0.297 4.96 4 1.2 0.0
176 2 6 2 32.239 64.479 0.298 4.93 4 74.1 16.5
177 1 9 -1 32.38 64.761 0.299 4.88 4 40.5 4.9
178 1 5 -5 32.431 64.862 0.3 4.86 4 1.3 0.0
179 2 7 0 32.438 64.877 0.3 4.86 4 10.3 0.3
180 1 9 1 32.594 65.188 0.301 4.81 4 8.8 0.2
181 1 8 -3 32.647 65.293 0.302 4.79 4 33.2 3.2
182 1 0 -6 32.671 65.343 0.302 4.79 2 47.0 3.2
183 2 5 3 32.681 65.362 0.302 4.78 4 31.5 2.9
184 2 7 -1 32.693 65.386 0.302 4.78 4 86.5 21.8
185 2 4 -4 32.736 65.471 0.302 4.77 4 140.3 57.2
186 0 3 6 32.851 65.702 0.303 4.73 4 20.4 1.2
187 1 1 -6 32.863 65.726 0.303 4.73 4 12.5 0.5
188 0 6 5 32.888 65.776 0.304 4.72 4 106.1 32.3
189 1 7 -4 32.934 65.869 0.304 4.7 4 38.1 4.2
190 2 3 4 33.095 66.191 0.305 4.66 4 19.9 1.1
191 2 7 1 33.117 66.235 0.305 4.65 4 121.9 42.1
192 1 8 3 33.283 66.565 0.307 4.6 4 14.2 0.6
193 1 2 -6 33.434 66.868 0.308 4.56 4 10.3 0.3
194 0 10 0 33.474 66.948 0.308 4.55 2 80.1 8.9
195 1 5 5 33.491 66.983 0.308 4.54 4 109.7 33.3
196 2 6 -3 33.507 67.015 0.309 4.54 4 105.1 30.5
197 1 9 -2 33.669 67.338 0.31 4.49 4 53.5 7.8
198 1 7 4 33.777 67.554 0.311 4.46 4 44.5 5.4
199 2 1 -5 33.841 67.683 0.311 4.44 4 126.2 43.1
200 2 7 -2 33.871 67.742 0.312 4.43 4 4.4 0.1
201 0 10 1 33.934 67.868 0.312 4.42 4 56.8 8.7
202 1 0 6 33.937 67.874 0.312 4.42 2 29.4 1.2
203 3 0 0 33.955 67.909 0.312 4.41 2 39.0 2.0
204 0 9 3 34.027 68.054 0.313 4.39 4 27.6 2.0
205 0 8 4 34.038 68.076 0.313 4.39 4 127.4 43.4
206 1 9 2 34.087 68.174 0.313 4.38 4 68.6 12.5
207 1 1 6 34.125 68.25 0.314 4.37 4 27.9 2.1
208 3 1 0 34.142 68.285 0.314 4.36 4 28.7 2.2
209 0 4 6 34.176 68.353 0.314 4.35 4 56.6 8.5
210 3 1 -1 34.287 68.574 0.315 4.32 4 74.8 14.7
211 1 3 -6 34.375 68.751 0.316 4.3 4 15.5 0.6
212 2 2 -5 34.404 68.809 0.316 4.29 4 76.3 15.2
213 2 4 4 34.416 68.832 0.316 4.29 4 153.5 61.6
214 2 5 -4 34.438 68.876 0.316 4.28 4 52.0 7.1
215 1 6 -5 34.515 69.031 0.317 4.26 4 68.6 12.2
216 1 2 6 34.686 69.371 0.318 4.22 4 120.7 37.4
217 2 7 2 34.703 69.406 0.318 4.22 4 26.7 1.8
218 3 2 0 34.703 69.406 0.318 4.22 4 7.3 0.1
219 2 6 3 34.758 69.515 0.319 4.2 4 15.9 0.7
220 3 2 -1 34.847 69.693 0.319 4.18 4 43.6 4.8
221 3 1 1 34.908 69.816 0.32 4.17 4 19.3 0.9
222 3 0 -2 35.152 70.303 0.322 4.11 2 78.1 7.6
223 2 8 0 35.265 70.53 0.323 4.08 4 21.3 1.1
224 0 10 2 35.297 70.594 0.323 4.07 4 17.5 0.8
225 0 7 5 35.329 70.658 0.323 4.07 4 17.0 0.7
226 2 3 -5 35.333 70.667 0.323 4.07 4 22.2 1.2
227 3 1 -2 35.337 70.673 0.323 4.07 4 13.5 0.4
228 3 2 1 35.463 70.927 0.324 4.04 4 74.2 13.5
229 2 8 -1 35.51 71.02 0.325 4.03 4 4.6 0.1
230 1 6 5 35.545 71.09 0.325 4.02 4 100.5 24.7
231 1 10 0 35.601 71.201 0.325 4.01 4 100.4 24.6
232 1 3 6 35.611 71.223 0.325 4.0 4 21.9 1.2
233 3 3 0 35.629 71.257 0.326 4.0 4 47.5 5.5
234 1 4 -6 35.673 71.347 0.326 3.99 4 83.5 17.0
235 1 8 -4 35.742 71.484 0.327 3.97 4 13.5 0.4
236 3 3 -1 35.77 71.541 0.327 3.97 4 109.9 29.2
237 1 9 -3 35.833 71.667 0.327 3.96 4 96.7 22.5
238 0 5 6 35.846 71.691 0.327 3.95 4 49.6 5.9
239 3 2 -2 35.889 71.778 0.328 3.94 4 14.0 0.5
240 2 1 5 35.905 71.81 0.328 3.94 4 94.1 21.2
241 2 8 1 35.918 71.837 0.328 3.94 4 101.3 24.6
242 2 7 -3 35.928 71.856 0.328 3.93 4 117.5 33.1
243 1 10 -1 35.946 71.893 0.328 3.93 4 20.3 1.0
244 2 5 4 36.081 72.161 0.329 3.9 4 11.6 0.3
245 1 10 1 36.15 72.3 0.33 3.89 4 46.9 5.2
246 3 0 2 36.376 72.752 0.332 3.84 2 59.5 4.1
247 3 3 1 36.381 72.761 0.332 3.84 4 30.6 2.2
248 1 9 3 36.443 72.886 0.332 3.83 4 28.9 1.9
249 2 2 5 36.454 72.907 0.332 3.83 4 64.4 9.7
250 2 6 -4 36.467 72.934 0.332 3.82 4 49.4 5.7
251 1 8 4 36.555 73.11 0.333 3.81 4 56.1 7.3
252 3 1 2 36.559 73.117 0.333 3.8 4 63.3 9.3
253 2 4 -5 36.617 73.234 0.333 3.79 4 20.6 1.0
254 2 8 -2 36.645 73.291 0.334 3.79 4 7.6 0.1
255 3 3 -2 36.802 73.604 0.335 3.76 4 47.5 5.2
256 1 4 6 36.891 73.782 0.336 3.74 4 36.1 3.0
257 1 7 -5 36.907 73.813 0.336 3.74 4 94.6 20.4
258 3 4 0 36.908 73.816 0.336 3.74 4 29.1 1.9
259 3 4 -1 37.048 74.095 0.337 3.71 4 46.4 4.9
260 3 2 2 37.103 74.207 0.337 3.7 4 78.3 13.8
261 2 7 3 37.142 74.284 0.338 3.69 4 110.0 27.2
262 0 9 4 37.169 74.339 0.338 3.69 4 2.3 0.0
263 1 10 -2 37.177 74.354 0.338 3.69 4 3.6 0.0
264 0 1 7 37.245 74.49 0.338 3.67 4 34.6 2.7
265 3 1 -3 37.258 74.517 0.338 3.67 4 25.8 1.5
266 1 5 -6 37.314 74.628 0.339 3.66 4 47.3 5.0
267 2 3 5 37.361 74.722 0.339 3.65 4 8.2 0.2
268 2 8 2 37.451 74.901 0.34 3.64 4 3.9 0.0
269 0 10 3 37.52 75.041 0.34 3.63 4 9.9 0.2
270 1 10 2 37.578 75.156 0.341 3.62 4 85.8 16.2
271 3 4 1 37.65 75.299 0.341 3.6 4 37.8 3.1
272 0 2 7 37.786 75.572 0.343 3.58 4 97.3 20.6
273 0 11 1 37.792 75.583 0.343 3.58 4 158.8 55.0
274 3 2 -3 37.8 75.599 0.343 3.58 4 66.8 9.7
275 0 6 6 37.844 75.688 0.343 3.57 4 56.1 6.8
276 1 7 5 37.909 75.819 0.343 3.56 4 46.0 4.6
277 3 3 2 38.005 76.011 0.344 3.54 4 64.6 9.0
278 0 8 5 38.059 76.117 0.345 3.53 4 24.5 1.3
279 3 4 -2 38.066 76.132 0.345 3.53 4 37.7 3.1
280 2 6 4 38.074 76.148 0.345 3.53 4 33.2 2.4
281 2 5 -5 38.242 76.484 0.346 3.5 4 17.4 0.6
282 2 9 0 38.355 76.71 0.347 3.49 4 20.0 0.9
283 2 0 -6 38.367 76.733 0.347 3.48 2 57.0 3.5
284 1 5 6 38.512 77.024 0.348 3.46 4 94.4 18.8
285 3 5 0 38.529 77.058 0.348 3.46 4 135.4 38.6
286 2 1 -6 38.546 77.091 0.348 3.46 4 99.5 20.8
287 2 9 -1 38.593 77.185 0.349 3.45 4 91.5 17.6
288 1 1 -7 38.595 77.189 0.349 3.45 4 33.2 2.3
289 2 4 5 38.619 77.238 0.349 3.45 4 45.5 4.3
290 2 8 -3 38.642 77.283 0.349 3.44 4 37.8 3.0
291 3 5 -1 38.667 77.333 0.349 3.44 4 111.3 26.0
292 0 3 7 38.683 77.365 0.349 3.44 4 68.8 9.9
293 3 3 -3 38.696 77.392 0.349 3.43 4 88.0 16.2
294 2 7 -4 38.811 77.621 0.35 3.42 4 1.4 0.0
295 1 9 -4 38.818 77.635 0.35 3.42 4 47.5 4.7
296 2 9 1 38.989 77.978 0.352 3.39 4 71.3 10.5
297 3 1 3 39.052 78.103 0.352 3.38 4 62.1 7.9
298 2 2 -6 39.081 78.162 0.352 3.38 4 27.0 1.5
299 0 11 2 39.1 78.2 0.353 3.38 4 16.2 0.5
300 1 2 -7 39.13 78.259 0.353 3.37 4 16.8 0.6
301 3 4 2 39.256 78.513 0.354 3.35 4 58.1 6.9
302 3 5 1 39.261 78.521 0.354 3.35 4 24.2 1.2
303 1 10 -3 39.263 78.525 0.354 3.35 4 56.4 6.5
304 1 6 -6 39.286 78.571 0.354 3.35 4 30.1 1.8
305 1 11 0 39.393 78.786 0.355 3.33 4 12.9 0.3
306 3 2 3 39.585 79.17 0.356 3.31 4 58.2 6.8
307 1 8 -5 39.596 79.193 0.356 3.31 4 1.8 0.0
308 1 9 4 39.608 79.216 0.356 3.31 4 8.2 0.1
309 3 5 -2 39.671 79.343 0.357 3.3 4 49.3 4.9
310 2 9 -2 39.696 79.393 0.357 3.29 4 66.6 8.9
311 1 11 -1 39.727 79.454 0.357 3.29 4 21.2 0.9
312 2 8 3 39.827 79.654 0.358 3.28 4 53.8 5.8
313 3 0 -4 39.833 79.666 0.358 3.28 2 73.1 5.3
314 1 10 3 39.854 79.708 0.358 3.27 4 112.7 25.3
315 1 11 1 39.924 79.847 0.359 3.26 4 49.2 4.8
316 0 4 7 39.927 79.855 0.359 3.26 4 35.9 2.6
317 3 4 -3 39.941 79.881 0.359 3.26 4 6.6 0.1
318 2 3 -6 39.969 79.938 0.359 3.26 4 26.0 1.3
319 1 1 7 39.977 79.954 0.359 3.26 4 44.0 3.8
320 3 1 -4 40.01 80.02 0.359 3.25 4 70.4 9.8
321 1 3 -7 40.017 80.034 0.359 3.25 4 0.8 0.0
322 0 7 6 40.161 80.322 0.361 3.23 4 5.3 0.1
323 2 6 -5 40.2 80.399 0.361 3.23 4 67.5 9.0
324 2 5 5 40.218 80.436 0.361 3.23 4 23.6 1.1
325 2 7 4 40.387 80.775 0.362 3.21 4 60.6 7.2
326 1 6 6 40.466 80.932 0.363 3.2 4 57.3 6.4
327 3 3 3 40.47 80.94 0.363 3.2 4 48.6 4.6
328 2 9 2 40.482 80.964 0.363 3.2 4 30.6 1.8
329 3 6 0 40.482 80.965 0.363 3.2 4 34.0 2.2
330 1 2 7 40.507 81.014 0.363 3.19 4 16.4 0.5
331 3 2 -4 40.54 81.08 0.363 3.19 4 75.5 11.1
332 0 10 4 40.561 81.121 0.363 3.19 4 43.6 3.7
333 1 8 5 40.579 81.157 0.364 3.19 4 20.9 0.8
334 3 6 -1 40.618 81.237 0.364 3.18 4 137.5 36.6
335 2 0 6 40.733 81.465 0.365 3.17 2 42.7 1.8
336 3 5 2 40.849 81.698 0.366 3.15 4 16.7 0.5
337 2 1 6 40.909 81.818 0.366 3.15 4 35.1 2.4
338 1 11 -2 40.92 81.841 0.366 3.15 4 73.8 10.4
339 0 9 5 41.077 82.154 0.367 3.13 4 23.4 1.0
340 2 4 -6 41.204 82.407 0.368 3.12 4 20.1 0.8
341 3 6 1 41.205 82.41 0.368 3.12 4 75.1 10.7
342 1 4 -7 41.252 82.503 0.369 3.11 4 10.4 0.2
343 0 11 3 41.255 82.51 0.369 3.11 4 37.6 2.7
344 1 11 2 41.311 82.622 0.369 3.11 4 93.5 16.5
345 1 3 7 41.388 82.775 0.37 3.1 4 130.5 32.1
346 3 3 -4 41.42 82.841 0.37 3.09 4 18.9 0.7
347 2 2 6 41.437 82.873 0.37 3.09 4 60.6 6.9
348 0 12 0 41.443 82.885 0.37 3.09 2 114.6 12.4
349 2 8 -4 41.464 82.929 0.37 3.09 4 7.1 0.1
350 0 5 7 41.514 83.028 0.371 3.08 4 43.0 3.5
351 3 5 -3 41.527 83.054 0.371 3.08 4 36.7 2.5
352 1 7 -6 41.581 83.162 0.371 3.08 4 22.0 0.9
353 3 6 -2 41.612 83.223 0.371 3.08 4 40.6 3.1
354 2 9 -3 41.649 83.298 0.371 3.07 4 79.9 11.9
355 3 4 3 41.701 83.403 0.372 3.07 4 19.8 0.7
356 2 10 0 41.719 83.438 0.372 3.06 4 24.9 1.2
357 0 12 1 41.87 83.74 0.373 3.05 4 47.5 4.2
358 2 10 -1 41.952 83.904 0.374 3.04 4 57.0 6.0
359 2 6 5 42.153 84.306 0.375 3.02 4 9.6 0.2
360 1 10 -4 42.173 84.345 0.375 3.02 4 63.9 7.5
361 3 0 4 42.179 84.358 0.375 3.02 2 34.9 1.1
362 2 3 6 42.313 84.627 0.376 3.01 4 14.6 0.4
363 2 10 1 42.341 84.682 0.377 3.01 4 21.8 0.9
364 3 1 4 42.354 84.708 0.377 3.01 4 59.2 6.4
365 2 7 -5 42.485 84.969 0.378 3.0 4 67.4 8.3
366 1 9 -5 42.589 85.177 0.378 2.99 4 59.7 6.5
367 1 4 7 42.614 85.229 0.378 2.98 4 21.5 0.8
368 3 4 -4 42.647 85.294 0.379 2.98 4 44.8 3.6
369 1 7 6 42.748 85.497 0.379 2.97 4 88.3 14.1
370 3 7 0 42.765 85.529 0.38 2.97 4 93.0 15.7
371 3 6 2 42.779 85.557 0.38 2.97 4 66.4 8.0
372 2 5 -6 42.781 85.562 0.38 2.97 4 6.8 0.1
373 0 8 6 42.796 85.593 0.38 2.97 4 104.5 19.7
374 2 9 3 42.816 85.632 0.38 2.97 4 21.1 0.8
375 1 5 -7 42.829 85.658 0.38 2.97 4 19.7 0.7
376 3 2 4 42.879 85.758 0.38 2.96 4 38.3 2.6
377 3 7 -1 42.9 85.799 0.381 2.96 4 46.1 3.8
378 1 10 4 42.95 85.899 0.381 2.96 4 3.5 0.0
379 1 11 -3 42.959 85.919 0.381 2.96 4 27.5 1.4
380 2 8 4 43.02 86.04 0.381 2.95 4 45.8 3.8
381 2 10 -2 43.037 86.073 0.381 2.95 4 46.0 3.8
382 0 12 2 43.149 86.299 0.382 2.94 4 8.7 0.1
383 3 5 3 43.276 86.553 0.383 2.93 4 37.7 2.5
384 1 12 0 43.437 86.874 0.384 2.92 4 42.3 3.2
385 0 6 7 43.439 86.878 0.384 2.92 4 23.2 1.0
386 3 6 -3 43.452 86.904 0.384 2.92 4 1.3 0.0
387 3 7 1 43.481 86.963 0.385 2.92 4 23.0 0.9
388 0 0 8 43.536 87.071 0.385 2.91 2 84.6 6.4
389 2 4 6 43.537 87.073 0.385 2.91 4 45.2 3.6
390 1 11 3 43.541 87.082 0.385 2.91 4 83.5 12.4
391 1 9 5 43.559 87.117 0.385 2.91 4 50.2 4.5
392 3 1 -5 43.567 87.134 0.385 2.91 4 47.2 4.0
393 0 1 8 43.71 87.42 0.386 2.9 4 19.4 0.7
394 3 3 4 43.752 87.504 0.387 2.9 4 56.6 5.7
395 1 12 -1 43.765 87.531 0.387 2.9 4 28.6 1.4
396 2 10 2 43.812 87.624 0.387 2.9 4 53.8 5.1
397 3 7 -2 43.885 87.77 0.388 2.89 4 14.3 0.4
398 2 1 -7 43.928 87.856 0.388 2.89 4 98.9 17.2
399 1 12 1 43.959 87.918 0.388 2.89 4 42.8 3.2
400 3 2 -5 44.09 88.181 0.389 2.88 4 41.8 3.1
401 1 5 7 44.186 88.372 0.39 2.87 4 113.6 22.6
402 1 8 -6 44.204 88.408 0.39 2.87 4 0.9 0.0
403 3 5 -4 44.218 88.437 0.39 2.87 4 16.2 0.5
404 0 2 8 44.233 88.467 0.39 2.87 4 9.1 0.1
405 0 11 4 44.239 88.477 0.39 2.87 4 18.6 0.6
406 0 10 5 44.401 88.802 0.391 2.86 4 16.2 0.5
407 2 7 5 44.423 88.847 0.391 2.86 4 62.0 6.7
408 2 9 -4 44.436 88.873 0.391 2.86 4 1.6 0.0
409 2 2 -7 44.451 88.902 0.391 2.86 4 119.8 25.0
410 2 6 -6 44.701 89.401 0.393 2.84 4 5.9 0.1
411 1 0 -8 44.748 89.496 0.394 2.84 2 44.7 1.7
412 1 6 -7 44.748 89.497 0.394 2.84 4 49.1 4.2
413 1 1 -8 44.922 89.845 0.395 2.83 4 40.7 2.9
414 1 12 -2 44.943 89.886 0.395 2.83 4 67.2 7.8
415 3 3 -5 44.962 89.924 0.395 2.83 4 15.7 0.4
416 2 10 -3 44.968 89.937 0.395 2.83 4 16.7 0.5
417 3 4 4 44.972 89.945 0.395 2.83 4 43.2 3.2
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 1 1 5.869 11.738 8.74761 589.3 77.8 78.2 5.6
2 0 2 0 6.333 12.667 8.1085 188.2 24.8 25.0 5.6
3 0 2 1 8.044 16.088 6.39195 19.0 2.5 2.5 5.6
4 0 0 2 9.916 19.832 5.19428 278.7 36.8 36.8 5.6
5 0 1 2 10.417 20.835 4.94673 63.2 8.3 8.3 5.6
6 0 3 1 10.75 21.5 4.79531 757.9 100.0 100.0 5.6
7 1 1 0 11.197 22.393 4.60643 8.5 1.1 1.1 5.6
8 0 2 2 11.8 23.601 4.37381 37.0 4.9 4.9 5.6
9 1 1 -1 12.028 24.057 4.29212 10.3 1.4 1.4 5.6
10 1 1 1 12.495 24.989 4.13434 280.3 37.0 36.9 5.6
11 0 4 0 12.746 25.491 4.05425 45.5 6.0 6.0 5.6
12 1 2 -1 13.253 26.506 3.90169 67.4 8.9 8.9 5.6
13 0 4 1 13.699 27.399 3.77683 280.8 37.0 36.9 5.6
14 0 3 2 13.817 27.633 3.74541 239.4 31.6 31.4 5.6
15 1 3 0 14.423 28.846 3.59103 83.4 11.0 10.9 5.6
16 1 1 -2 14.652 29.303 3.53623 125.4 16.5 16.4 5.6
17 1 3 -1 15.089 30.178 3.43602 107.4 14.2 14.1 5.6
18 0 1 3 15.315 30.63 3.38651 105.0 13.9 13.8 5.6
19 1 1 2 15.424 30.848 3.36311 196.8 26.0 25.8 5.6
20 1 3 1 15.47 30.939 3.35345 421.9 55.7 55.3 5.6
21 1 2 -2 15.687 31.374 3.30814 512.9 67.7 67.2 5.6
22 0 4 2 16.252 32.505 3.19598 108.9 14.4 14.2 5.6
23 0 2 3 16.312 32.624 3.1846 8.8 1.2 1.1 5.6
24 1 2 2 16.415 32.831 3.16512 92.3 12.2 12.1 5.6
25 1 4 0 16.779 33.558 3.09844 68.2 9.0 8.9 5.7
26 1 3 -2 17.288 34.577 3.00981 81.1 10.7 10.6 5.7
27 1 4 -1 17.363 34.727 2.99721 22.0 2.9 2.9 5.7
28 0 3 3 17.864 35.728 2.91587 152.8 20.2 19.9 5.7
29 1 3 2 17.959 35.918 2.9009 43.0 5.7 5.6 5.7
30 1 1 -3 18.373 36.747 2.83767 139.2 18.4 18.1 5.7
31 0 5 2 18.973 37.946 2.75112 10.9 1.4 1.4 5.7
32 1 2 -3 19.23 38.461 2.71568 80.2 10.6 10.4 5.7
33 1 4 -2 19.334 38.668 2.70167 40.1 5.3 5.2 5.7
34 1 5 0 19.435 38.87 2.68816 99.7 13.2 13.0 5.7
35 1 4 2 19.946 39.891 2.62207 70.1 9.3 9.1 5.7
36 1 2 3 20.146 40.292 2.59708 43.1 5.7 5.6 5.7
37 1 5 1 20.252 40.504 2.58404 18.4 2.4 2.4 5.7
38 0 2 4 21.201 42.402 2.47336 15.5 2.0 2.0 5.7
39 1 3 3 21.458 42.917 2.44504 31.6 4.2 4.1 5.7
40 1 5 -2 21.723 43.446 2.41665 79.8 10.5 10.3 5.7
41 2 0 0 21.861 43.722 2.40216 52.4 6.9 6.8 5.7
42 0 5 3 22.201 44.402 2.36721 59.8 7.9 7.7 5.7
43 1 5 2 22.28 44.561 2.35918 8.5 1.1 1.1 5.7
44 1 6 0 22.316 44.631 2.35564 7.9 1.0 1.0 5.7
45 2 1 -1 22.442 44.883 2.3431 8.4 1.1 1.1 5.7
46 1 0 -4 22.506 45.012 2.33676 23.0 3.0 3.0 5.7
47 1 6 -1 22.779 45.558 2.31022 127.7 16.8 16.5 5.7
48 2 1 1 22.985 45.97 2.2906 65.3 8.6 8.4 5.7
49 1 6 1 23.049 46.097 2.28463 11.1 1.5 1.4 5.7
50 2 2 -1 23.173 46.347 2.27301 11.4 1.5 1.5 5.7
51 1 0 4 23.581 47.161 2.23593 23.7 3.1 3.1 5.7
52 2 0 -2 23.699 47.398 2.22542 31.5 4.2 4.1 5.7
53 1 1 4 23.817 47.635 2.21498 82.7 10.9 10.7 5.7
54 2 1 -2 23.935 47.869 2.20476 17.5 2.3 2.3 5.7
55 0 4 4 24.143 48.285 2.1869 21.7 2.9 2.8 5.7
56 1 2 4 24.517 49.035 2.15548 11.7 1.5 1.5 5.7
57 2 2 -2 24.632 49.264 2.14606 21.5 2.8 2.8 5.7
58 2 0 2 24.734 49.467 2.13781 13.9 1.8 1.8 5.7
59 0 6 3 24.822 49.645 2.13065 20.0 2.6 2.6 5.7
60 2 3 1 24.866 49.732 2.12713 9.4 1.2 1.2 5.7
61 1 6 2 24.896 49.791 2.12479 12.7 1.7 1.6 5.7
62 1 5 3 25.29 50.58 2.09375 12.1 1.6 1.6 5.8
63 1 7 0 25.381 50.762 2.08676 69.9 9.2 9.0 5.8
64 2 2 2 25.639 51.278 2.06717 49.2 6.5 6.3 5.8
65 0 1 5 25.723 51.446 2.06087 8.4 1.1 1.1 5.8
66 1 7 -1 25.802 51.604 2.055 9.0 1.2 1.1 5.8
67 1 7 1 26.048 52.096 2.03692 103.0 13.6 13.2 5.8
68 0 8 0 26.183 52.367 2.02712 20.5 2.7 2.6 5.8
69 1 4 -4 26.219 52.438 2.02455 58.1 7.7 7.4 5.8
70 0 8 1 26.716 53.432 1.9896 8.7 1.2 1.1 5.8
71 1 6 -3 26.981 53.961 1.97153 43.6 5.7 5.6 5.8
72 2 4 -2 27.29 54.581 1.95085 111.4 14.7 14.2 5.8
73 0 3 5 27.465 54.93 1.93939 18.9 2.5 2.4 5.8
74 1 1 -5 27.596 55.193 1.93088 87.4 11.5 11.2 5.8
75 0 7 3 27.68 55.359 1.92553 7.6 1.0 1.0 5.8
76 2 1 3 27.871 55.743 1.91333 78.7 10.4 10.0 5.8
77 1 5 -4 28.15 56.299 1.89594 12.2 1.6 1.6 5.8
78 2 4 2 28.23 56.459 1.89102 135.8 17.9 17.3 5.8
79 0 8 2 28.272 56.544 1.88841 59.6 7.9 7.6 5.8
80 0 6 4 28.531 57.061 1.87271 27.6 3.6 3.5 5.8
81 1 3 -5 29.262 58.524 1.8299 8.6 1.1 1.1 5.8
82 1 7 -3 29.693 59.387 1.80568 18.0 2.4 2.3 5.8
83 2 1 -4 29.787 59.575 1.80051 11.8 1.6 1.5 5.8
84 1 3 5 30.384 60.767 1.76845 17.1 2.3 2.2 5.8
85 0 5 5 30.748 61.496 1.74952 38.9 5.1 4.9 5.8
86 1 8 2 30.813 61.627 1.74617 19.1 2.5 2.4 5.8
87 2 4 3 30.929 61.859 1.74025 12.1 1.6 1.5 5.8
88 0 0 6 31.105 62.209 1.73143 21.4 2.8 2.7 5.8
89 1 6 4 31.277 62.555 1.72283 37.8 5.0 4.8 5.8
90 2 6 -2 31.375 62.75 1.71801 17.9 2.4 2.3 5.9
91 1 4 5 31.764 63.527 1.69915 10.9 1.4 1.4 5.9
92 0 2 6 31.887 63.775 1.69325 10.6 1.4 1.3 5.9
93 1 9 0 32.017 64.033 1.68713 7.8 1.0 1.0 5.9
94 2 6 2 32.239 64.479 1.67672 16.5 2.2 2.1 5.9
95 2 7 -1 32.693 65.386 1.65598 24.7 3.3 3.1 5.9
96 2 4 -4 32.736 65.471 1.65407 57.2 7.5 7.2 5.9
97 0 6 5 32.888 65.776 1.64725 32.3 4.3 4.1 5.9
98 2 7 1 33.117 66.235 1.63713 43.2 5.7 5.4 5.9
99 1 5 5 33.491 66.983 1.62096 72.6 9.6 9.1 5.9
100 1 9 -2 33.669 67.338 1.6134 7.8 1.0 1.0 5.9
101 2 1 -5 33.841 67.683 1.60615 43.1 5.7 5.4 5.9
102 0 10 1 33.934 67.868 1.60229 11.9 1.6 1.5 5.9
103 0 8 4 34.038 68.076 1.59799 45.4 6.0 5.7 5.9
104 1 9 2 34.087 68.174 1.59596 12.5 1.7 1.6 5.9
105 0 4 6 34.176 68.353 1.5923 8.5 1.1 1.1 5.9
106 3 1 -1 34.287 68.574 1.58779 14.7 1.9 1.8 5.9
107 2 4 4 34.416 68.832 1.58256 83.8 11.1 10.5 5.9
108 1 6 -5 34.515 69.031 1.57857 12.2 1.6 1.5 5.9
109 1 2 6 34.686 69.371 1.57178 39.4 5.2 4.9 5.9
110 3 0 -2 35.152 70.303 1.55357 7.6 1.0 1.0 5.9
111 3 2 1 35.463 70.927 1.54169 13.5 1.8 1.7 5.9
112 1 6 5 35.545 71.09 1.53861 24.7 3.3 3.1 5.9
113 1 10 0 35.601 71.201 1.53652 31.3 4.1 3.9 5.9
114 1 4 -6 35.673 71.347 1.5338 17.0 2.2 2.1 5.9
115 3 3 -1 35.77 71.541 1.53019 29.2 3.9 3.6 5.9
116 1 9 -3 35.833 71.667 1.52787 28.4 3.7 3.5 5.9
117 2 7 -3 35.928 71.856 1.52438 78.9 10.4 9.8 5.9
118 2 6 -4 36.467 72.934 1.50491 17.3 2.3 2.1 6.0
119 3 1 2 36.559 73.117 1.50167 16.6 2.2 2.1 6.0
120 1 7 -5 36.907 73.813 1.48949 25.3 3.3 3.1 6.0
121 3 2 2 37.103 74.207 1.48272 13.8 1.8 1.7 6.0
122 2 7 3 37.142 74.284 1.4814 27.2 3.6 3.4 6.0
123 1 10 2 37.578 75.156 1.4667 16.2 2.1 2.0 6.0
124 0 11 1 37.792 75.583 1.45965 85.3 11.3 10.5 6.0
125 3 3 2 38.005 76.011 1.45267 9.0 1.2 1.1 6.0
126 3 5 0 38.529 77.058 1.43594 78.2 10.3 9.6 6.0
127 2 9 -1 38.593 77.185 1.43394 24.2 3.2 3.0 6.0
128 3 5 -1 38.667 77.333 1.43162 55.0 7.3 6.8 6.0
129 2 9 1 38.989 77.978 1.42165 10.5 1.4 1.3 6.0
130 3 1 3 39.052 78.103 1.41973 9.4 1.2 1.2 6.0
131 3 4 2 39.256 78.513 1.41352 16.4 2.2 2.0 6.0
132 2 9 -2 39.696 79.393 1.4004 13.8 1.8 1.7 6.0
133 1 10 3 39.854 79.708 1.39578 36.4 4.8 4.5 6.0
134 3 1 -4 40.01 80.02 1.39124 9.8 1.3 1.2 6.0
135 2 6 -5 40.2 80.399 1.38579 10.1 1.3 1.2 6.0
136 1 6 6 40.466 80.932 1.37823 15.1 2.0 1.8 6.1
137 3 2 -4 40.54 81.08 1.37613 14.8 1.9 1.8 6.1
138 3 6 -1 40.618 81.237 1.37394 36.6 4.8 4.5 6.1
139 1 11 -2 40.92 81.841 1.36557 12.8 1.7 1.6 6.1
140 3 6 1 41.205 82.41 1.3578 10.7 1.4 1.3 6.1
141 1 11 2 41.311 82.622 1.35494 16.5 2.2 2.0 6.1
142 1 3 7 41.388 82.775 1.35289 32.1 4.2 3.9 6.1
143 0 12 0 41.443 82.885 1.35142 19.4 2.6 2.4 6.1
144 2 9 -3 41.649 83.298 1.34593 11.9 1.6 1.4 6.1
145 1 10 -4 42.173 84.345 1.3323 8.6 1.1 1.0 6.1
146 2 7 -5 42.485 84.969 1.32435 8.3 1.1 1.0 6.1
147 3 7 0 42.765 85.529 1.31734 37.8 5.0 4.6 6.1
148 0 8 6 42.796 85.593 1.31655 20.5 2.7 2.5 6.1
149 2 10 -2 43.037 86.073 1.31063 7.6 1.0 0.9 6.1
150 1 11 3 43.541 87.082 1.29843 30.8 4.1 3.7 6.1
151 2 1 -7 43.928 87.856 1.2893 17.2 2.3 2.1 6.2
152 1 5 7 44.186 88.372 1.28332 22.6 3.0 2.7 6.2
153 2 2 -7 44.451 88.902 1.27725 31.7 4.2 3.8 6.2
154 1 12 -2 44.943 89.886 1.26622 13.8 1.8 1.7 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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