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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KOLICITE
1, f-holdenite
Mn(7)As(2)Zn(4)Si(2)O(16)(OH)(8)
Orthorhombic C mca Z = 4
R =0.071 NR =1052
26 .3 .1990
Ref.Str.:
D.R. Peacor (1980)
* Amer. Mineral., 65, 483-487
Reserv:
See U(ij) in the original, pos.6 is corrected
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 18.59 alpha = 90.0
b = 8.789 beta = 90.0
c = 12.04 gamma = 90.0
Unit cell volume (cub. angs.) = 1967.19
Molar volume ( cub.cm/mol.) = 296.23
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.2668 0.9944 0.0 O = 1.00
2 0.0738 0.5244 0.137 0.0 O = 1.00
3 0.2547 0.9865 0.1355 0.0 O = 1.00
4 0.0 0.261 0.2628 0.0 O = 1.00
5 0.1763 0.284 0.2524 0.0 O = 1.00
6 0.135 0.7864 0.022 0.0 OH = 1.00
7 0.0847 0.0332 0.1126 0.0 OH = 1.00
8 0.0 0.0 0.0 0.0 Mn = 1.00
9 0.1752 0.0 0.0 0.0 Mn = 1.00
10 0.0878 0.2739 0.1363 0.0 Mn = 1.00
11 0.0 0.6373 0.1282 0.0 As = 1.00
12 0.1682 0.6322 0.1318 0.0 Zn = 1.00
13 0.25 0.3847 0.25 0.0 Si = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.2668 0.9944
2 2 0.0738 0.5244 0.137
3 3 0.2547 0.9865 0.1355
4 4 0.0 0.261 0.2628
5 5 0.1763 0.284 0.2524
6 6 0.135 0.7864 0.022
7 7 0.0847 0.0332 0.1126
8 8 0.0 0.0 0.0
9 9 0.1752 0.0 0.0
10 10 0.0878 0.2739 0.1363
11 11 0.0 0.6373 0.1282
12 12 0.1682 0.6322 0.1318
13 13 0.25 0.3847 0.25
14 1 0.5 0.7332 0.4944
15 2 0.4262 0.4756 0.637
16 3 0.2453 0.0135 0.6355
17 4 0.5 0.739 0.7628
18 5 0.3237 0.716 0.7524
19 6 0.365 0.2136 0.522
20 7 0.4153 0.9668 0.6126
21 8 0.5 0.0 0.5
22 9 0.3248 0.0 0.5
23 10 0.4122 0.7261 0.6363
24 11 0.5 0.3627 0.6282
25 12 0.3318 0.3678 0.6318
26 13 0.25 0.6153 0.75
27 2 0.9262 0.5244 0.137
28 3 0.7453 0.9865 0.1355
29 5 0.8237 0.284 0.2524
30 6 0.865 0.7864 0.022
31 7 0.9153 0.0332 0.1126
32 9 0.8248 0.0 0.0
33 10 0.9122 0.2739 0.1363
34 12 0.8318 0.6322 0.1318
35 13 0.75 0.3847 0.25
36 2 0.5738 0.4756 0.637
37 3 0.7547 0.0135 0.6355
38 5 0.6763 0.716 0.7524
39 6 0.635 0.2136 0.522
40 7 0.5847 0.9668 0.6126
41 9 0.6752 0.0 0.5
42 10 0.5878 0.7261 0.6363
43 12 0.6682 0.3678 0.6318
44 13 0.75 0.6153 0.75
45 1 0.5 0.2668 0.5056
46 2 0.5738 0.5244 0.363
47 3 0.7547 0.9865 0.3645
48 4 0.5 0.261 0.2372
49 5 0.6763 0.284 0.2476
50 6 0.635 0.7864 0.478
51 7 0.5847 0.0332 0.3874
52 10 0.5878 0.2739 0.3637
53 11 0.5 0.6373 0.3718
54 12 0.6682 0.6322 0.3682
55 1 0.0 0.7332 0.0056
56 2 0.9262 0.4756 0.863
57 3 0.7453 0.0135 0.8645
58 4 0.0 0.739 0.7372
59 5 0.8237 0.716 0.7476
60 6 0.865 0.2136 0.978
61 7 0.9153 0.9668 0.8874
62 10 0.9122 0.7261 0.8637
63 11 0.0 0.3627 0.8718
64 12 0.8318 0.3678 0.8682
65 2 0.4262 0.5244 0.363
66 3 0.2453 0.9865 0.3645
67 5 0.3237 0.284 0.2476
68 6 0.365 0.7864 0.478
69 7 0.4153 0.0332 0.3874
70 10 0.4122 0.2739 0.3637
71 12 0.3318 0.6322 0.3682
72 2 0.0738 0.4756 0.863
73 3 0.2547 0.0135 0.8645
74 5 0.1763 0.716 0.7476
75 6 0.135 0.2136 0.978
76 7 0.0847 0.9668 0.8874
77 10 0.0878 0.7261 0.8637
78 12 0.1682 0.3678 0.8682
79 1 0.0 0.7668 0.5056
80 2 0.0738 0.0244 0.363
81 3 0.2547 0.4865 0.3645
82 4 0.0 0.761 0.2372
83 5 0.1763 0.784 0.2476
84 6 0.135 0.2864 0.478
85 7 0.0847 0.5332 0.3874
86 8 0.0 0.5 0.5
87 9 0.1752 0.5 0.5
88 10 0.0878 0.7739 0.3637
89 11 0.0 0.1373 0.3718
90 12 0.1682 0.1322 0.3682
91 13 0.25 0.8847 0.25
92 1 0.5 0.2332 0.0056
93 2 0.4262 0.9756 0.863
94 3 0.2453 0.5135 0.8645
95 4 0.5 0.239 0.7372
96 5 0.3237 0.216 0.7476
97 6 0.365 0.7136 0.978
98 7 0.4153 0.4668 0.8874
99 8 0.5 0.5 0.0
100 9 0.3248 0.5 0.0
101 10 0.4122 0.2261 0.8637
102 11 0.5 0.8627 0.8718
103 12 0.3318 0.8678 0.8682
104 13 0.25 0.1153 0.75
105 2 0.9262 0.0244 0.363
106 3 0.7453 0.4865 0.3645
107 5 0.8237 0.784 0.2476
108 6 0.865 0.2864 0.478
109 7 0.9153 0.5332 0.3874
110 9 0.8248 0.5 0.5
111 10 0.9122 0.7739 0.3637
112 12 0.8318 0.1322 0.3682
113 13 0.75 0.8847 0.25
114 2 0.5738 0.9756 0.863
115 3 0.7547 0.5135 0.8645
116 5 0.6763 0.216 0.7476
117 6 0.635 0.7136 0.978
118 7 0.5847 0.4668 0.8874
119 9 0.6752 0.5 0.0
120 10 0.5878 0.2261 0.8637
121 12 0.6682 0.8678 0.8682
122 13 0.75 0.1153 0.75
123 1 0.5 0.7668 0.9944
124 2 0.5738 0.0244 0.137
125 3 0.7547 0.4865 0.1355
126 4 0.5 0.761 0.2628
127 5 0.6763 0.784 0.2524
128 6 0.635 0.2864 0.022
129 7 0.5847 0.5332 0.1126
130 10 0.5878 0.7739 0.1363
131 11 0.5 0.1373 0.1282
132 12 0.6682 0.1322 0.1318
133 1 0.0 0.2332 0.4944
134 2 0.9262 0.9756 0.637
135 3 0.7453 0.5135 0.6355
136 4 0.0 0.239 0.7628
137 5 0.8237 0.216 0.7524
138 6 0.865 0.7136 0.522
139 7 0.9153 0.4668 0.6126
140 10 0.9122 0.2261 0.6363
141 11 0.0 0.8627 0.6282
142 12 0.8318 0.8678 0.6318
143 2 0.4262 0.0244 0.137
144 3 0.2453 0.4865 0.1355
145 5 0.3237 0.784 0.2524
146 6 0.365 0.2864 0.022
147 7 0.4153 0.5332 0.1126
148 10 0.4122 0.7739 0.1363
149 12 0.3318 0.1322 0.1318
150 2 0.0738 0.9756 0.637
151 3 0.2547 0.5135 0.6355
152 5 0.1763 0.216 0.7524
153 6 0.135 0.7136 0.522
154 7 0.0847 0.4668 0.6126
155 10 0.0878 0.2261 0.6363
156 12 0.1682 0.8678 0.6318
X-ray density (g/cm cub.) = 4.2
MU (1/cm) = 492.065 Mass attenuation coefficient (cm**2/g) = 117.173
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 O 3.312 10
3.1553 2
3.2319 4
2.9529 7
3.1553 2
2.9529 7
2.7844 2
2.5605 6
2.7844 2
2.5605 6
2.7991 4
2 O 3.312 10
3.1553 1
3.088 4
3.1663 5
2.9179 6
2.7439 2
2.7844 1
2.768 4
3.2573 5
3.0226 7
3.2056 3
3 O 3.312 9
3.3079 5
3.1483 6
3.1987 7
2.7627 3
3.21 5
3.2715 3
2.6671 5
3.2056 2
2.6065 5
4 O 3.312 12
3.2319 1
3.088 2
3.286 5
3.1238 7
3.088 2
3.286 5
3.1238 7
2.768 2
3.2331 7
2.768 2
3.2331 7
2.7991 1
5 O 3.312 11
3.1663 2
3.3079 3
3.286 4
3.2545 7
3.21 3
2.7408 5
3.2573 2
2.6671 3
2.8227 6
3.2154 7
2.6065 3
6 OH 3.36 6
2.9179 2
3.1483 3
2.6018 7
2.5605 1
2.4525 7
2.8227 5
7 OH 3.36 12
2.9529 1
3.1987 3
3.1238 4
3.2545 5
2.6018 6
3.1491 7
3.3303 1
2.4525 6
2.7735 7
3.0226 2
3.2331 4
3.2154 5
8 Mn 2.772 6
2.3459 1
2.0982 7
2.0982 7
2.3459 1
2.0982 7
2.0982 7
9 Mn 2.772 6
2.2046 3
2.0378 6
2.1801 7
2.2046 3
2.0378 6
2.1801 7
10 Mn 2.772 6
2.3634 1
2.2169 2
2.2345 4
2.161 5
2.1355 7
2.1647 6
11 As 2.508 4
1.6965 2
1.6965 2
1.6994 1
1.7046 4
12 Zn 2.676 4
1.9947 2
1.9913 6
1.9358 5
1.9228 3
13 Si 2.148 4
1.6313 5
1.6313 5
1.6458 3
1.6458 3
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 2 0 0 4.754 9.507 0.054 288.25 2 110.5 181.8
2 1 1 1 6.67 13.34 0.075 145.29 8 45.0 60.9
3 0 0 2 7.351 14.703 0.083 119.2 2 52.7 17.1
4 2 0 2 8.769 17.537 0.099 83.12 4 140.4 169.3
5 1 1 2 9.238 18.475 0.104 74.68 8 66.9 69.2
6 3 1 1 9.497 18.995 0.107 70.54 8 33.4 16.3
7 4 0 0 9.54 19.081 0.108 69.88 2 44.2 7.1
8 0 2 0 10.095 20.19 0.114 62.18 2 125.1 50.3
9 0 2 1 10.754 21.508 0.121 54.54 4 273.8 422.7
10 2 2 0 11.18 22.359 0.126 50.31 4 220.8 253.4
11 3 1 2 11.464 22.929 0.129 47.74 8 109.1 117.4
12 2 2 1 11.781 23.562 0.133 45.1 8 128.5 153.9
13 4 0 2 12.086 24.173 0.136 42.74 4 112.1 55.5
14 1 1 3 12.417 24.834 0.14 40.39 8 448.7 1680.9
15 0 2 2 12.534 25.068 0.141 39.6 4 276.3 312.4
16 2 2 2 13.433 26.865 0.151 34.21 8 18.1 2.3
17 5 1 1 13.525 27.05 0.152 33.72 8 18.1 2.3
18 4 2 0 13.959 27.919 0.157 31.53 4 243.9 193.9
19 3 1 3 14.175 28.35 0.159 30.52 8 196.4 243.3
20 6 0 0 14.395 28.791 0.161 29.53 2 367.9 206.5
21 4 2 1 14.452 28.905 0.162 29.29 8 44.7 12.1
22 0 0 4 14.827 29.655 0.166 27.72 2 575.6 474.8
23 5 1 2 14.999 29.997 0.168 27.05 8 605.7 2051.8
24 0 2 3 15.066 30.131 0.169 26.79 4 476.8 629.7
25 2 0 4 15.604 31.208 0.175 24.85 4 230.3 136.2
26 2 2 3 15.832 31.664 0.177 24.08 8 65.6 21.4
27 4 2 2 15.847 31.694 0.177 24.03 8 36.0 6.4
28 1 1 4 15.882 31.764 0.178 23.92 8 49.7 12.2
29 1 3 1 15.888 31.775 0.178 23.9 8 417.3 860.4
30 6 0 2 16.237 32.473 0.181 22.8 4 263.1 163.2
31 1 3 2 17.177 34.354 0.192 20.18 8 409.8 700.6
32 5 1 3 17.2 34.399 0.192 20.12 8 338.1 475.5
33 3 1 4 17.319 34.638 0.193 19.82 8 15.9 1.0
34 3 3 1 17.324 34.649 0.193 19.81 8 100.7 41.5
35 6 2 0 17.709 35.419 0.197 18.88 4 29.4 1.7
36 4 0 4 17.752 35.503 0.198 18.78 4 214.7 89.5
37 4 2 3 17.955 35.91 0.2 18.32 8 119.5 54.1
38 7 1 1 18.04 36.08 0.201 18.13 8 17.4 1.1
39 0 2 4 18.07 36.14 0.201 18.06 4 81.1 12.3
40 6 2 1 18.11 36.22 0.202 17.98 8 477.5 847.1
41 3 3 2 18.526 37.052 0.206 17.1 8 115.3 47.0
42 2 2 4 18.727 37.454 0.208 16.7 8 83.0 23.8
43 1 3 3 19.157 38.313 0.213 15.88 8 175.7 101.3
44 7 1 2 19.202 38.405 0.213 15.8 8 513.8 862.3
45 6 2 2 19.269 38.538 0.214 15.68 8 240.8 187.9
46 8 0 0 19.359 38.717 0.215 15.52 2 6.4 0.0
47 1 1 5 19.527 39.054 0.217 15.22 8 268.1 226.3
48 5 1 4 19.921 39.842 0.221 14.56 8 132.2 52.6
49 5 3 1 19.926 39.851 0.221 14.56 8 330.0 327.6
50 3 3 3 20.393 40.785 0.226 13.82 8 94.8 25.7
51 0 4 0 20.522 41.044 0.228 13.63 2 231.5 37.8
52 4 2 4 20.59 41.181 0.228 13.53 8 116.9 38.2
53 3 1 5 20.744 41.489 0.23 13.31 8 128.3 45.3
54 8 0 2 20.813 41.626 0.231 13.21 4 35.6 1.7
55 0 4 1 20.877 41.753 0.231 13.12 4 150.4 30.7
56 6 0 4 20.903 41.806 0.232 13.08 4 274.1 101.6
57 5 3 2 21.0 41.999 0.233 12.95 8 5.8 0.1
58 7 1 3 21.019 42.037 0.233 12.92 8 202.3 109.3
59 6 2 3 21.08 42.161 0.233 12.84 8 303.9 245.0
60 2 4 0 21.114 42.228 0.234 12.79 4 183.5 44.5
61 0 2 5 21.393 42.786 0.237 12.42 4 514.3 339.6
62 2 4 1 21.461 42.922 0.237 12.33 8 85.7 18.7
63 1 3 4 21.668 43.337 0.24 12.07 8 119.0 35.3
64 0 4 2 21.912 43.825 0.242 11.77 4 262.3 83.7
65 2 2 5 21.966 43.932 0.243 11.7 8 95.8 22.2
66 8 2 0 22.023 44.045 0.243 11.64 4 67.5 5.5
67 8 2 1 22.358 44.716 0.247 11.25 8 75.5 13.3
68 2 4 2 22.475 44.95 0.248 11.11 8 73.5 12.4
69 0 0 6 22.573 45.146 0.249 11.01 2 356.7 72.4
70 5 3 3 22.697 45.394 0.25 10.87 8 56.6 7.2
71 3 3 4 22.792 45.584 0.251 10.77 8 59.4 7.9
72 4 4 0 22.816 45.632 0.252 10.74 4 161.0 28.8
73 9 1 1 22.854 45.708 0.252 10.7 8 25.1 1.4
74 5 1 5 23.021 46.041 0.254 10.53 8 326.9 232.6
75 2 0 6 23.123 46.246 0.255 10.42 4 105.9 12.1
76 4 4 1 23.142 46.284 0.255 10.4 8 167.7 60.5
77 1 1 6 23.323 46.646 0.257 10.22 8 16.2 0.6
78 8 2 2 23.341 46.682 0.257 10.2 8 182.7 70.4
79 7 1 4 23.366 46.732 0.257 10.18 8 48.7 5.0
80 7 3 1 23.37 46.741 0.257 10.17 8 198.0 82.5
81 6 2 4 23.423 46.846 0.258 10.12 8 44.5 4.1
82 0 4 3 23.557 47.115 0.259 9.99 4 37.5 1.5
83 4 2 5 23.619 47.238 0.26 9.93 8 77.0 12.2
84 9 1 2 23.821 47.642 0.262 9.74 8 161.9 52.8
85 2 4 3 24.09 48.18 0.265 9.5 8 69.5 9.5
86 4 4 2 24.1 48.201 0.265 9.49 8 66.6 8.7
87 7 3 2 24.322 48.643 0.267 9.29 8 8.9 0.2
88 3 1 6 24.387 48.774 0.268 9.24 8 46.3 4.1
89 10 0 0 24.479 48.957 0.269 9.16 2 232.9 25.7
90 1 3 5 24.591 49.182 0.27 9.06 8 122.2 28.0
91 4 0 6 24.716 49.431 0.271 8.96 4 113.5 11.9
92 8 0 4 24.757 49.514 0.272 8.93 4 185.6 31.8
93 8 2 3 24.913 49.826 0.273 8.8 8 32.6 1.9
94 5 3 4 24.92 49.84 0.274 8.79 8 76.0 10.5
95 0 2 6 24.96 49.92 0.274 8.76 4 118.7 12.8
96 9 1 3 25.37 50.741 0.278 8.44 8 141.9 35.1
97 6 4 0 25.453 50.906 0.279 8.38 4 479.8 199.4
98 2 2 6 25.471 50.941 0.279 8.37 8 107.4 19.9
99 3 3 5 25.615 51.231 0.281 8.26 8 24.6 1.0
100 4 4 3 25.637 51.274 0.281 8.24 8 109.6 20.5
101 10 0 2 25.7 51.4 0.281 8.2 4 83.8 5.9
102 0 4 4 25.724 51.448 0.282 8.18 4 380.7 122.6
103 6 4 1 25.754 51.508 0.282 8.16 8 154.9 40.5
104 7 3 3 25.849 51.697 0.283 8.09 8 114.3 21.9
105 7 1 5 26.143 52.285 0.286 7.89 8 221.4 79.9
106 6 2 5 26.195 52.39 0.287 7.85 8 414.7 279.0
107 2 4 4 26.223 52.447 0.287 7.83 8 17.5 0.5
108 1 5 1 26.41 52.819 0.289 7.7 8 144.4 33.2
109 5 1 6 26.418 52.836 0.289 7.7 8 462.0 339.8
110 6 4 2 26.642 53.284 0.291 7.55 8 156.3 38.1
111 10 2 0 26.737 53.475 0.292 7.49 4 200.5 31.1
112 4 2 6 26.96 53.92 0.294 7.35 8 126.5 24.3
113 8 2 4 26.999 53.998 0.295 7.33 8 129.1 25.2
114 10 2 1 27.028 54.056 0.295 7.31 8 71.6 7.7
115 6 0 6 27.215 54.431 0.297 7.2 4 179.7 24.0
116 1 1 7 27.272 54.543 0.297 7.16 8 138.8 28.5
117 1 5 2 27.283 54.566 0.298 7.16 8 436.9 282.3
118 3 5 1 27.385 54.77 0.299 7.09 8 183.0 49.1
119 9 1 4 27.432 54.863 0.299 7.07 8 51.3 3.8
120 9 3 1 27.435 54.871 0.299 7.06 8 78.7 9.1
121 5 3 5 27.581 55.163 0.301 6.98 8 76.6 8.5
122 4 4 4 27.684 55.369 0.302 6.92 8 91.4 12.0
123 1 3 6 27.847 55.694 0.303 6.83 8 389.9 214.6
124 7 3 4 27.885 55.77 0.304 6.81 8 23.9 0.8
125 10 2 2 27.888 55.776 0.304 6.81 8 146.7 30.3
126 11 1 1 27.939 55.877 0.304 6.78 8 11.6 0.2
127 6 4 3 28.079 56.157 0.306 6.7 8 253.5 89.1
128 3 1 7 28.227 56.453 0.307 6.62 8 18.8 0.5
129 3 5 2 28.237 56.475 0.307 6.62 8 122.7 20.6
130 9 3 2 28.287 56.574 0.308 6.59 8 68.3 6.4
131 0 4 5 28.332 56.663 0.308 6.57 4 0.5 0.0
132 1 5 3 28.698 57.395 0.312 6.38 8 156.9 32.4
133 0 2 7 28.745 57.491 0.312 6.36 4 172.9 19.6
134 11 1 2 28.78 57.56 0.313 6.34 8 16.0 0.3
135 3 3 6 28.789 57.579 0.313 6.33 8 109.4 15.7
136 2 4 5 28.8 57.6 0.313 6.33 8 97.5 12.4
137 8 4 0 28.847 57.694 0.313 6.31 4 103.7 7.0
138 8 4 1 29.123 58.247 0.316 6.17 8 139.1 24.7
139 10 0 4 29.144 58.288 0.316 6.16 4 154.0 15.1
140 2 2 7 29.21 58.419 0.317 6.13 8 112.4 16.0
141 5 5 1 29.269 58.539 0.317 6.1 8 298.2 112.2
142 7 1 6 29.277 58.555 0.317 6.1 8 320.2 129.3
143 10 2 3 29.283 58.567 0.318 6.1 8 26.2 0.9
144 6 2 6 29.326 58.652 0.318 6.08 8 276.6 96.1
145 8 2 5 29.53 59.06 0.32 5.98 8 42.7 2.3
146 3 5 3 29.622 59.245 0.321 5.94 8 49.1 3.0
147 9 3 3 29.67 59.341 0.321 5.92 8 0.3 0.0
148 12 0 0 29.816 59.633 0.323 5.85 2 1128.4 385.2
149 9 1 5 29.939 59.877 0.324 5.8 8 89.3 9.6
150 8 4 2 29.944 59.887 0.324 5.8 8 88.3 9.3
151 6 4 4 30.013 60.025 0.325 5.77 8 1101.7 1447.3
152 5 1 7 30.077 60.154 0.325 5.74 8 0.9 0.0
153 5 5 2 30.087 60.174 0.325 5.74 8 113.2 15.2
154 11 1 3 30.149 60.299 0.326 5.71 8 322.3 122.6
155 4 4 5 30.178 60.356 0.326 5.7 8 73.2 6.3
156 7 3 5 30.368 60.736 0.328 5.62 8 48.7 2.8
157 8 0 6 30.476 60.952 0.329 5.57 4 50.2 1.5
158 4 2 7 30.576 61.151 0.33 5.53 8 53.7 3.3
159 1 5 4 30.607 61.214 0.33 5.52 8 51.0 3.0
160 5 3 6 30.618 61.236 0.331 5.52 8 19.9 0.5
161 0 0 8 30.785 61.569 0.332 5.45 2 1155.8 376.3
162 12 0 2 30.892 61.784 0.333 5.41 4 68.5 2.6
163 10 2 4 31.171 62.342 0.336 5.3 8 209.9 48.3
164 2 0 8 31.23 62.461 0.337 5.28 4 50.2 1.4
165 8 4 3 31.281 62.563 0.337 5.26 8 17.8 0.3
166 0 4 6 31.322 62.645 0.337 5.25 4 233.0 29.4
167 1 1 8 31.394 62.787 0.338 5.22 8 16.9 0.3
168 1 3 7 31.397 62.794 0.338 5.22 8 362.1 141.5
169 5 5 3 31.421 62.843 0.338 5.21 8 140.9 21.4
170 3 5 4 31.497 62.995 0.339 5.18 8 49.3 2.6
171 9 3 4 31.544 63.087 0.34 5.17 8 9.8 0.1
172 0 6 0 31.725 63.451 0.341 5.1 2 181.4 8.7
173 2 4 6 31.764 63.527 0.342 5.09 8 16.0 0.3
174 12 2 0 31.817 63.635 0.342 5.07 4 10.2 0.1
175 7 5 1 31.964 63.927 0.344 5.02 8 288.3 86.2
176 0 6 1 31.987 63.974 0.344 5.01 4 403.7 84.4
177 11 1 4 32.006 64.012 0.344 5.0 8 12.0 0.1
178 11 3 1 32.01 64.019 0.344 5.0 8 480.2 238.5
179 12 2 1 32.079 64.157 0.345 4.98 8 209.6 45.2
180 2 6 0 32.164 64.327 0.346 4.95 4 74.6 2.8
181 3 1 8 32.272 64.543 0.347 4.92 8 82.9 7.0
182 3 3 7 32.275 64.55 0.347 4.91 8 128.7 16.8
183 6 4 5 32.395 64.79 0.348 4.87 8 292.4 86.2
184 2 6 1 32.423 64.846 0.348 4.87 8 39.6 1.6
185 8 2 6 32.453 64.907 0.348 4.86 8 80.8 6.6
186 4 0 8 32.546 65.093 0.349 4.83 4 32.2 0.5
187 7 1 7 32.732 65.464 0.351 4.77 8 4.9 0.0
188 7 5 2 32.742 65.484 0.351 4.76 8 113.2 12.6
189 0 2 8 32.752 65.503 0.351 4.76 4 40.8 0.8
190 0 6 2 32.765 65.53 0.351 4.76 4 198.5 19.4
191 6 2 7 32.777 65.555 0.351 4.75 8 264.6 68.8
192 11 3 2 32.787 65.574 0.352 4.75 8 364.4 130.4
193 9 1 6 32.841 65.682 0.352 4.73 8 154.9 23.5
194 12 2 2 32.855 65.71 0.352 4.73 8 236.3 54.6
195 10 4 0 32.871 65.743 0.352 4.72 4 212.5 22.0
196 1 5 5 32.965 65.929 0.353 4.7 8 89.8 7.8
197 4 4 6 33.068 66.136 0.354 4.66 8 64.9 4.1
198 8 4 4 33.102 66.205 0.355 4.65 8 5.1 0.0
199 10 4 1 33.128 66.256 0.355 4.65 8 96.8 9.0
200 2 2 8 33.182 66.365 0.355 4.63 8 125.8 15.2
201 2 6 2 33.196 66.391 0.355 4.63 8 24.1 0.6
202 5 5 4 33.238 66.476 0.356 4.61 8 1.6 0.0
203 7 3 6 33.249 66.497 0.356 4.61 8 72.9 5.1
204 13 1 1 33.331 66.662 0.357 4.59 8 116.3 12.8
205 4 6 0 33.46 66.919 0.358 4.55 4 113.2 6.0
206 10 2 5 33.506 67.013 0.358 4.54 8 71.4 4.8
207 4 6 1 33.714 67.428 0.36 4.48 8 87.3 7.1
208 3 5 5 33.821 67.642 0.361 4.45 8 62.5 3.6
209 9 3 5 33.865 67.731 0.362 4.44 8 24.7 0.6
210 10 4 2 33.892 67.785 0.362 4.43 8 39.7 1.4
211 5 1 8 33.991 67.983 0.363 4.4 8 118.0 12.7
212 5 3 7 33.995 67.989 0.363 4.4 8 296.6 80.0
213 12 0 4 34.001 68.003 0.363 4.4 4 497.8 112.7
214 7 5 3 34.018 68.036 0.363 4.39 8 122.9 13.7
215 0 6 3 34.041 68.081 0.363 4.39 4 309.2 43.4
216 11 3 3 34.062 68.125 0.364 4.38 8 104.5 9.9
217 13 1 2 34.093 68.186 0.364 4.37 8 67.9 4.2
218 12 2 3 34.129 68.259 0.364 4.36 8 345.9 107.9
219 11 1 5 34.311 68.623 0.366 4.32 8 231.9 48.0
220 10 0 6 34.391 68.781 0.367 4.3 4 112.7 5.6
221 4 2 8 34.459 68.918 0.367 4.28 8 118.1 12.3
222 2 6 3 34.463 68.927 0.367 4.28 8 38.7 1.3
223 4 6 2 34.472 68.944 0.367 4.28 8 34.3 1.0
224 0 4 7 34.662 69.323 0.369 4.23 4 22.6 0.2
225 6 0 8 34.681 69.361 0.369 4.22 4 298.7 38.9
226 2 4 7 35.081 70.162 0.373 4.13 8 31.1 0.8
227 10 4 3 35.148 70.296 0.374 4.11 8 18.2 0.3
228 6 4 6 35.187 70.373 0.374 4.1 8 105.7 9.5
229 1 3 8 35.232 70.464 0.374 4.09 8 140.9 16.8
230 13 1 3 35.346 70.691 0.376 4.06 8 217.0 39.6
231 8 4 5 35.372 70.744 0.376 4.06 8 71.0 4.2
232 9 5 1 35.377 70.754 0.376 4.06 8 114.1 10.9
233 14 0 0 35.457 70.914 0.377 4.04 2 22.6 0.1
234 5 5 5 35.503 71.007 0.377 4.03 8 16.4 0.2
235 6 6 0 35.567 71.134 0.378 4.01 4 289.6 34.8
236 4 6 3 35.718 71.437 0.379 3.98 8 48.4 1.9
237 1 1 9 35.725 71.45 0.379 3.98 8 44.7 1.6
238 1 5 6 35.734 71.469 0.379 3.98 8 400.4 131.8
239 8 2 7 35.739 71.478 0.379 3.98 8 17.6 0.3
240 7 5 4 35.768 71.535 0.379 3.97 8 22.6 0.4
241 0 6 4 35.79 71.579 0.38 3.96 4 34.4 0.5
242 11 3 4 35.811 71.622 0.38 3.96 8 58.3 2.8
243 6 6 1 35.815 71.629 0.38 3.96 8 322.8 85.3
244 12 2 4 35.876 71.753 0.38 3.95 8 189.3 29.2
245 3 3 8 36.063 72.126 0.382 3.91 8 13.5 0.1
246 9 1 7 36.109 72.218 0.383 3.9 8 40.4 1.3
247 9 5 2 36.119 72.238 0.383 3.89 8 20.4 0.3
248 2 6 4 36.203 72.407 0.383 3.88 8 20.4 0.3
249 10 2 6 36.257 72.514 0.384 3.87 8 11.1 0.1
250 4 4 7 36.327 72.653 0.385 3.85 8 49.1 1.9
251 14 0 2 36.444 72.888 0.386 3.83 4 107.0 4.5
252 7 1 8 36.497 72.994 0.386 3.82 8 153.7 18.6
253 7 3 7 36.5 73.0 0.386 3.82 8 225.7 40.2
254 6 2 8 36.54 73.08 0.386 3.81 8 48.6 1.9
255 3 1 9 36.551 73.102 0.387 3.81 8 45.5 1.6
256 6 6 2 36.553 73.106 0.387 3.81 8 121.4 11.6
257 3 5 6 36.561 73.121 0.387 3.8 8 92.2 6.7
258 9 3 6 36.604 73.207 0.387 3.8 8 25.6 0.5
259 10 4 4 36.874 73.748 0.39 3.74 8 96.4 7.2
260 0 2 9 37.005 74.009 0.391 3.72 4 205.8 16.3
261 11 1 6 37.035 74.07 0.391 3.71 8 53.2 2.2
262 13 1 4 37.068 74.136 0.391 3.71 8 7.0 0.0
263 13 3 1 37.071 74.142 0.391 3.71 8 205.2 32.3
264 14 2 0 37.301 74.601 0.393 3.66 4 108.7 4.5
265 9 5 3 37.342 74.684 0.394 3.66 8 42.6 1.4
266 2 2 9 37.413 74.826 0.394 3.64 8 66.3 3.3
267 4 6 4 37.434 74.868 0.395 3.64 8 164.5 20.4
268 12 4 0 37.472 74.945 0.395 3.63 4 5.4 0.0
269 14 2 1 37.544 75.087 0.396 3.62 8 83.4 5.2
270 8 0 8 37.574 75.147 0.396 3.62 4 1.9 0.0
271 5 3 8 37.702 75.405 0.397 3.59 8 48.0 1.7
272 12 4 1 37.715 75.43 0.397 3.59 8 59.2 2.6
273 6 6 3 37.771 75.542 0.398 3.58 8 96.4 6.9
274 13 3 2 37.8 75.6 0.398 3.58 8 240.7 42.8
275 7 5 5 37.967 75.934 0.399 3.55 8 22.1 0.4
276 0 6 5 37.988 75.977 0.4 3.55 4 392.2 56.4
277 11 3 5 38.009 76.019 0.4 3.54 8 46.0 1.6
278 8 4 6 38.064 76.128 0.4 3.53 8 79.3 4.6
279 12 2 5 38.073 76.146 0.4 3.53 8 351.4 90.2
280 5 1 9 38.183 76.366 0.401 3.51 8 7.8 0.0
281 1 7 1 38.185 76.371 0.401 3.51 8 10.3 0.1
282 5 5 6 38.192 76.384 0.401 3.51 8 124.9 11.3
283 14 2 2 38.269 76.538 0.402 3.5 8 109.1 8.6
284 0 4 8 38.343 76.685 0.403 3.49 4 41.1 0.6
285 6 4 7 38.367 76.734 0.403 3.48 8 71.7 3.7
286 2 6 5 38.393 76.786 0.403 3.48 8 19.2 0.3
287 8 6 0 38.434 76.867 0.403 3.47 4 15.8 0.1
288 12 4 2 38.44 76.879 0.404 3.47 8 141.6 14.4
289 4 2 9 38.63 77.259 0.405 3.44 8 0.3 0.0
290 8 6 1 38.674 77.348 0.406 3.44 8 64.2 2.9
291 2 4 8 38.746 77.493 0.406 3.43 8 103.0 7.5
292 1 5 7 38.898 77.796 0.408 3.4 8 59.7 2.5
293 1 7 2 38.907 77.814 0.408 3.4 8 16.7 0.2
294 12 0 6 38.914 77.828 0.408 3.4 4 182.2 11.7
295 3 7 1 38.992 77.985 0.408 3.39 8 47.7 1.6
296 13 3 3 39.004 78.009 0.409 3.39 8 128.2 11.5
297 9 5 4 39.031 78.063 0.409 3.38 8 10.2 0.1
298 10 4 5 39.051 78.101 0.409 3.38 8 66.1 3.1
299 15 1 1 39.119 78.237 0.41 3.37 8 27.2 0.5
300 13 1 5 39.241 78.482 0.411 3.36 8 125.7 11.0
301 14 0 4 39.348 78.696 0.412 3.34 4 116.4 4.7
302 1 3 9 39.371 78.741 0.412 3.34 8 237.7 39.0
303 8 2 8 39.381 78.762 0.412 3.34 8 16.5 0.2
304 8 6 2 39.393 78.787 0.412 3.33 8 34.0 0.8
305 10 2 7 39.405 78.81 0.412 3.33 8 83.4 4.8
306 6 6 4 39.454 78.909 0.412 3.33 8 58.6 2.4
307 11 5 1 39.457 78.914 0.413 3.33 8 107.1 7.9
308 14 2 3 39.469 78.938 0.413 3.32 8 61.9 2.6
309 4 6 5 39.6 79.2 0.414 3.31 8 54.3 2.0
310 12 4 3 39.638 79.276 0.414 3.3 8 1.7 0.0
311 3 5 7 39.701 79.401 0.415 3.29 8 140.9 13.5
312 3 7 2 39.71 79.42 0.415 3.29 8 73.4 3.7
313 9 1 8 39.739 79.479 0.415 3.29 8 64.9 2.9
314 9 3 7 39.743 79.485 0.415 3.29 8 76.7 4.0
315 0 0 10 39.774 79.549 0.415 3.28 2 230.1 9.0
316 15 1 2 39.835 79.671 0.416 3.28 8 34.9 0.8
317 4 4 8 39.95 79.9 0.417 3.26 8 116.1 9.1
318 1 7 3 40.102 80.203 0.418 3.24 8 168.8 19.1
319 7 3 8 40.118 80.237 0.418 3.24 8 83.0 4.6
320 11 1 7 40.163 80.326 0.419 3.23 8 55.9 2.1
321 3 3 9 40.171 80.342 0.419 3.23 8 39.2 1.0
322 11 5 2 40.172 80.345 0.419 3.23 8 409.7 112.2
323 2 0 10 40.174 80.348 0.419 3.23 4 73.3 1.8
324 1 1 10 40.321 80.642 0.42 3.22 8 120.9 9.7
325 8 6 3 40.584 81.168 0.422 3.18 8 123.1 10.0
326 7 1 9 40.59 81.181 0.422 3.18 8 45.1 1.3
327 5 7 1 40.593 81.186 0.422 3.18 8 123.7 10.1
328 7 5 6 40.6 81.199 0.422 3.18 8 146.7 14.2
329 0 6 6 40.621 81.242 0.423 3.18 4 168.3 9.3
330 6 2 9 40.632 81.265 0.423 3.18 8 419.6 115.7
331 11 3 6 40.641 81.283 0.423 3.18 8 293.1 56.5
332 13 3 4 40.673 81.346 0.423 3.17 8 55.0 2.0
333 12 2 6 40.704 81.408 0.423 3.17 8 99.5 6.5
334 3 7 3 40.898 81.797 0.425 3.15 8 49.4 1.6
335 2 6 6 41.018 82.037 0.426 3.14 8 69.9 3.2
336 15 1 3 41.023 82.046 0.426 3.14 8 61.9 2.5
337 3 1 10 41.117 82.234 0.427 3.13 8 59.3 2.3
338 14 2 4 41.133 82.267 0.427 3.12 8 64.1 2.7
339 8 4 7 41.169 82.338 0.427 3.12 8 109.9 7.8
340 9 5 5 41.174 82.347 0.427 3.12 8 2.5 0.0
341 10 0 8 41.187 82.373 0.427 3.12 4 166.9 9.0
342 5 5 7 41.294 82.589 0.428 3.11 8 318.0 64.9
343 12 4 4 41.301 82.601 0.428 3.11 8 244.3 38.3
344 5 7 2 41.304 82.607 0.428 3.11 8 175.3 19.7
345 11 5 3 41.358 82.716 0.429 3.1 8 74.9 3.6
346 4 0 10 41.368 82.735 0.429 3.1 4 26.8 0.2
347 16 0 0 41.526 83.052 0.43 3.08 2 155.9 3.9
348 0 2 10 41.555 83.111 0.431 3.08 4 266.8 22.7
349 6 6 5 41.591 83.183 0.431 3.08 8 76.1 3.7
350 10 4 6 41.665 83.331 0.432 3.07 8 10.8 0.1
351 1 7 4 41.76 83.52 0.432 3.06 8 28.3 0.5
352 5 3 9 41.761 83.522 0.432 3.06 8 187.0 22.1
353 13 1 6 41.853 83.706 0.433 3.05 8 49.0 1.5
354 6 4 8 41.938 83.876 0.434 3.04 8 309.9 60.4
355 2 2 10 41.951 83.903 0.434 3.04 8 46.3 1.3
356 10 6 0 42.027 84.054 0.435 3.04 4 43.7 0.6
357 4 6 6 42.207 84.415 0.436 3.02 8 85.0 4.5
358 8 6 4 42.239 84.478 0.436 3.02 8 152.9 14.6
359 10 6 1 42.263 84.525 0.437 3.01 8 133.9 11.2
360 0 4 9 42.385 84.771 0.438 3.0 4 98.3 3.0
361 1 5 8 42.458 84.916 0.438 3.0 8 79.1 3.9
362 16 0 2 42.469 84.939 0.438 3.0 4 35.8 0.4
363 5 7 3 42.483 84.966 0.438 3.0 8 463.0 132.8
364 3 7 4 42.551 85.102 0.439 2.99 8 12.3 0.1
365 14 4 0 42.671 85.343 0.44 2.98 4 81.6 2.1
366 15 1 4 42.675 85.35 0.44 2.98 8 18.0 0.2
367 15 3 1 42.678 85.356 0.44 2.98 8 113.3 7.9
368 5 1 10 42.7 85.401 0.44 2.98 8 329.8 67.0
369 2 4 9 42.78 85.561 0.441 2.97 8 53.9 1.8
370 13 3 5 42.798 85.596 0.441 2.97 8 105.4 6.8
371 14 4 1 42.907 85.813 0.442 2.96 8 26.2 0.4
372 10 2 8 42.957 85.913 0.442 2.96 8 130.0 10.3
373 10 6 2 42.969 85.937 0.442 2.96 8 53.1 1.7
374 7 7 1 42.969 85.939 0.442 2.96 8 187.1 21.4
375 11 5 4 43.008 86.015 0.443 2.95 8 37.1 0.8
376 4 2 10 43.136 86.273 0.444 2.94 8 98.8 5.9
377 3 5 8 43.247 86.495 0.445 2.94 8 36.9 0.8
378 14 2 5 43.255 86.509 0.445 2.93 8 59.7 2.2
379 9 3 8 43.289 86.577 0.445 2.93 8 22.0 0.3
380 16 2 0 43.294 86.588 0.445 2.93 4 164.8 8.2
381 6 0 10 43.344 86.688 0.446 2.93 4 176.8 9.5
382 15 3 2 43.383 86.767 0.446 2.93 8 121.7 9.0
383 8 2 9 43.403 86.806 0.446 2.92 8 66.3 2.7
384 12 4 5 43.421 86.842 0.446 2.92 8 40.5 1.0
385 16 2 1 43.529 87.058 0.447 2.92 8 3.8 0.0
386 14 4 2 43.611 87.223 0.448 2.91 8 57.8 2.0
387 7 5 7 43.665 87.33 0.448 2.91 8 279.8 47.0
388 7 7 2 43.674 87.348 0.448 2.91 8 148.1 13.2
389 0 6 7 43.686 87.372 0.448 2.9 4 141.8 6.0
390 11 1 8 43.703 87.407 0.448 2.9 8 87.5 4.6
391 11 3 7 43.706 87.413 0.449 2.9 8 424.8 108.3
392 9 1 9 43.755 87.511 0.449 2.9 8 25.7 0.4
393 9 5 6 43.764 87.529 0.449 2.9 8 4.8 0.0
394 12 2 7 43.768 87.537 0.449 2.9 8 107.8 7.0
395 1 3 10 43.862 87.725 0.45 2.89 8 190.4 21.7
396 1 7 5 43.877 87.755 0.45 2.89 8 161.5 15.6
397 4 4 9 43.963 87.926 0.451 2.89 8 151.5 13.7
398 14 0 6 44.075 88.15 0.452 2.88 4 67.0 1.3
399 2 6 7 44.08 88.16 0.452 2.88 8 51.0 1.5
400 5 7 4 44.128 88.256 0.452 2.88 8 59.3 2.1
401 7 3 9 44.128 88.257 0.452 2.88 8 120.5 8.6
402 10 6 3 44.143 88.286 0.452 2.88 8 22.8 0.3
403 6 6 6 44.179 88.358 0.452 2.87 8 171.7 17.5
404 13 5 1 44.213 88.426 0.453 2.87 8 22.6 0.3
405 16 2 2 44.233 88.466 0.453 2.87 8 34.1 0.7
406 8 6 5 44.354 88.708 0.454 2.86 8 61.5 2.2
407 0 8 0 44.518 89.036 0.455 2.85 2 632.9 59.1
408 15 3 3 44.557 89.113 0.455 2.85 8 58.8 2.0
409 3 3 10 44.65 89.299 0.456 2.85 8 50.8 1.5
410 3 7 5 44.665 89.329 0.456 2.85 8 23.0 0.3
411 8 4 8 44.698 89.396 0.457 2.84 8 109.1 7.0
412 10 4 7 44.722 89.443 0.457 2.84 8 63.8 2.4
413 0 8 1 44.752 89.505 0.457 2.84 4 364.4 39.0
414 14 4 3 44.785 89.569 0.457 2.84 8 46.6 1.3
415 15 1 5 44.788 89.576 0.457 2.84 8 32.1 0.6
416 5 5 8 44.822 89.645 0.458 2.84 8 35.9 0.8
417 7 7 3 44.847 89.694 0.458 2.84 8 286.5 48.1
418 13 1 7 44.908 89.816 0.458 2.83 8 158.7 14.8
419 2 8 0 44.911 89.823 0.458 2.83 4 14.5 0.1
420 13 5 2 44.917 89.834 0.458 2.83 8 285.6 47.8
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 2 0 0 4.754 9.507 9.295 181.8 8.9 9.0 5.6
2 1 1 1 6.67 13.34 6.63175 60.9 3.0 3.0 5.6
3 2 0 2 8.769 17.537 5.05283 169.3 8.3 8.3 5.6
4 1 1 2 9.238 18.475 4.79835 69.2 3.4 3.4 5.6
5 0 2 0 10.095 20.19 4.3945 50.3 2.5 2.5 5.6
6 0 2 1 10.754 21.508 4.12812 422.7 20.6 20.7 5.6
7 2 2 0 11.18 22.359 3.97286 253.4 12.4 12.4 5.6
8 3 1 2 11.464 22.929 3.87546 117.4 5.7 5.8 5.6
9 2 2 1 11.781 23.562 3.77278 153.9 7.5 7.5 5.6
10 4 0 2 12.086 24.173 3.67877 55.5 2.7 2.7 5.6
11 1 1 3 12.417 24.834 3.58231 1680.9 81.9 82.3 5.6
12 0 2 2 12.534 25.068 3.54941 312.4 15.2 15.3 5.6
13 4 2 0 13.959 27.919 3.19308 193.9 9.4 9.5 5.6
14 3 1 3 14.175 28.35 3.14544 243.3 11.9 11.9 5.6
15 6 0 0 14.395 28.791 3.09833 206.5 10.1 10.1 5.6
16 0 0 4 14.827 29.655 3.01 474.8 23.1 23.1 5.6
17 5 1 2 14.999 29.997 2.97641 2051.8 100.0 100.0 5.6
18 0 2 3 15.066 30.131 2.96346 629.7 30.7 30.7 5.6
19 2 0 4 15.604 31.208 2.8636 136.2 6.6 6.6 5.6
20 2 2 3 15.832 31.664 2.82344 27.9 1.4 1.4 5.6
21 1 3 1 15.888 31.775 2.81381 872.7 42.5 42.5 5.6
22 6 0 2 16.237 32.473 2.75488 163.2 8.0 7.9 5.6
23 1 3 2 17.177 34.354 2.60823 1176.2 57.3 57.1 5.7
24 3 3 1 17.324 34.649 2.58673 42.6 2.1 2.1 5.7
25 4 0 4 17.752 35.503 2.52641 89.5 4.4 4.3 5.7
26 4 2 3 17.955 35.91 2.49871 54.1 2.6 2.6 5.7
27 6 2 1 18.11 36.22 2.47802 847.1 41.3 41.1 5.7
28 3 3 2 18.526 37.052 2.42431 47.0 2.3 2.3 5.7
29 2 2 4 18.727 37.454 2.39917 23.8 1.2 1.2 5.7
30 1 3 3 19.157 38.313 2.34733 101.3 4.9 4.9 5.7
31 7 1 2 19.202 38.405 2.34194 862.3 42.0 41.7 5.7
32 6 2 2 19.269 38.538 2.33414 187.9 9.2 9.1 5.7
33 1 1 5 19.527 39.054 2.3045 226.3 11.0 10.9 5.7
34 5 3 1 19.926 39.851 2.26022 380.3 18.5 18.4 5.7
35 3 3 3 20.393 40.785 2.21058 25.7 1.3 1.2 5.7
36 0 4 0 20.522 41.044 2.19725 37.8 1.8 1.8 5.7
37 4 2 4 20.59 41.181 2.19025 38.2 1.9 1.8 5.7
38 3 1 5 20.744 41.489 2.1747 45.3 2.2 2.2 5.7
39 6 0 4 20.903 41.806 2.15894 132.3 6.4 6.4 5.7
40 7 1 3 21.019 42.037 2.14759 109.3 5.3 5.3 5.7
41 6 2 3 21.08 42.161 2.14158 245.0 11.9 11.8 5.7
42 2 4 0 21.114 42.228 2.13832 44.5 2.2 2.1 5.7
43 0 2 5 21.393 42.786 2.11175 339.6 16.6 16.4 5.7
44 1 3 4 21.668 43.337 2.08615 35.3 1.7 1.7 5.7
45 0 4 2 21.912 43.825 2.06406 83.7 4.1 4.0 5.7
46 2 2 5 21.966 43.932 2.05927 22.2 1.1 1.1 5.7
47 0 0 6 22.573 45.146 2.00667 72.4 3.5 3.5 5.7
48 4 4 0 22.816 45.632 1.98643 36.6 1.8 1.8 5.7
49 5 1 5 23.021 46.041 1.96972 232.6 11.3 11.2 5.7
50 4 4 1 23.142 46.284 1.95994 72.5 3.5 3.5 5.7
51 8 2 2 23.341 46.682 1.94416 75.4 3.7 3.6 5.7
52 7 3 1 23.37 46.741 1.94185 82.5 4.0 4.0 5.7
53 9 1 2 23.821 47.642 1.9072 52.8 2.6 2.5 5.7
54 10 0 0 24.479 48.957 1.859 25.7 1.3 1.2 5.7
55 1 3 5 24.591 49.182 1.85102 28.0 1.4 1.3 5.7
56 8 0 4 24.757 49.514 1.83939 31.8 1.5 1.5 5.7
57 9 1 3 25.37 50.741 1.79775 35.1 1.7 1.7 5.8
58 6 4 0 25.453 50.906 1.7923 219.4 10.7 10.5 5.8
59 4 4 3 25.637 51.274 1.78029 21.5 1.0 1.0 5.8
60 0 4 4 25.724 51.448 1.7747 128.5 6.3 6.1 5.8
61 6 4 1 25.754 51.508 1.77277 40.5 2.0 1.9 5.8
62 7 3 3 25.849 51.697 1.76671 21.9 1.1 1.0 5.8
63 7 1 5 26.143 52.285 1.74823 79.9 3.9 3.8 5.8
64 6 2 5 26.195 52.39 1.74498 279.5 13.6 13.3 5.8
65 5 1 6 26.418 52.836 1.73129 373.0 18.2 17.8 5.8
66 6 4 2 26.642 53.284 1.71778 38.1 1.9 1.8 5.8
67 10 2 0 26.737 53.475 1.71211 31.1 1.5 1.5 5.8
68 4 2 6 26.96 53.92 1.69902 24.3 1.2 1.2 5.8
69 8 2 4 26.999 53.998 1.69675 25.2 1.2 1.2 5.8
70 6 0 6 27.215 54.431 1.68428 24.0 1.2 1.1 5.8
71 1 5 2 27.283 54.566 1.68043 310.8 15.2 14.8 5.8
72 3 5 1 27.385 54.77 1.67464 49.1 2.4 2.3 5.8
73 1 3 6 27.847 55.694 1.64902 214.6 10.5 10.2 5.8
74 10 2 2 27.888 55.776 1.6468 30.3 1.5 1.4 5.8
75 6 4 3 28.079 56.157 1.63652 89.1 4.3 4.2 5.8
76 3 5 2 28.237 56.475 1.62806 20.6 1.0 1.0 5.8
77 1 5 3 28.698 57.395 1.60413 32.4 1.6 1.5 5.8
78 3 3 6 28.789 57.579 1.59945 28.1 1.4 1.3 5.8
79 8 4 1 29.123 58.247 1.58268 39.8 1.9 1.9 5.8
80 7 1 6 29.277 58.555 1.5751 242.3 11.8 11.4 5.8
81 6 2 6 29.326 58.652 1.57272 96.1 4.7 4.5 5.8
82 12 0 0 29.816 59.633 1.54917 385.2 18.8 18.2 5.8
83 6 4 4 30.013 60.025 1.53997 1447.3 70.5 68.2 5.8
84 11 1 3 30.149 60.299 1.53364 128.9 6.3 6.1 5.8
85 0 0 8 30.785 61.569 1.505 376.3 18.3 17.7 5.8
86 10 2 4 31.171 62.342 1.4882 48.3 2.4 2.3 5.8
87 0 4 6 31.322 62.645 1.48173 29.4 1.4 1.4 5.8
88 1 3 7 31.397 62.794 1.47856 162.9 7.9 7.6 5.9
89 7 5 1 31.964 63.927 1.45506 170.6 8.3 8.0 5.9
90 11 3 1 32.01 64.019 1.45319 238.5 11.6 11.2 5.9
91 12 2 1 32.079 64.157 1.4504 45.2 2.2 2.1 5.9
92 3 3 7 32.275 64.55 1.44251 23.8 1.2 1.1 5.9
93 6 4 5 32.395 64.79 1.43776 87.7 4.3 4.1 5.9
94 11 3 2 32.787 65.574 1.42244 232.0 11.3 10.8 5.9
95 12 2 2 32.855 65.71 1.41982 100.1 4.9 4.7 5.9
96 7 5 3 34.018 68.036 1.37684 272.3 13.3 12.7 5.9
97 12 2 3 34.129 68.259 1.3729 107.9 5.3 5.0 5.9
98 11 1 5 34.311 68.623 1.36649 48.0 2.3 2.2 5.9
99 6 0 8 34.681 69.361 1.35374 38.9 1.9 1.8 5.9
100 13 1 3 35.346 70.691 1.3315 43.8 2.1 2.0 5.9
101 6 6 0 35.567 71.134 1.32429 34.8 1.7 1.6 5.9
102 1 5 6 35.734 71.469 1.3189 135.6 6.6 6.3 5.9
103 6 6 1 35.815 71.629 1.31635 88.1 4.3 4.1 5.9
104 12 2 4 35.876 71.753 1.31438 29.2 1.4 1.4 5.9
105 7 3 7 36.5 73.0 1.29497 58.8 2.9 2.7 6.0
106 3 5 6 36.561 73.121 1.29313 21.8 1.1 1.0 6.0
107 13 3 1 37.071 74.142 1.27783 32.3 1.6 1.5 6.0
108 4 6 4 37.434 74.868 1.26723 23.7 1.2 1.1 6.0
109 13 3 2 37.8 75.6 1.25677 49.7 2.4 2.3 6.0
110 0 6 5 37.988 75.977 1.25147 57.9 2.8 2.7 6.0
111 12 2 5 38.073 76.146 1.2491 94.8 4.6 4.3 6.0
112 1 3 9 39.371 78.741 1.21431 43.7 2.1 2.0 6.0
113 1 7 3 40.102 80.203 1.19582 23.7 1.2 1.1 6.0
114 11 5 2 40.172 80.345 1.19407 117.1 5.7 5.3 6.0
115 7 5 6 40.6 81.199 1.18364 35.6 1.7 1.6 6.1
116 11 3 6 40.641 81.283 1.18264 181.5 8.8 8.2 6.1
117 5 5 7 41.294 82.589 1.16722 123.0 6.0 5.6 6.1
118 0 2 10 41.555 83.111 1.16121 26.5 1.3 1.2 6.1
119 5 3 9 41.761 83.522 1.15654 22.1 1.1 1.0 6.1
120 6 4 8 41.938 83.876 1.15255 61.8 3.0 2.8 6.1
121 8 6 4 42.239 84.478 1.14587 25.7 1.3 1.2 6.1
122 5 7 3 42.483 84.966 1.14053 137.1 6.7 6.2 6.1
123 5 1 10 42.7 85.401 1.13583 77.1 3.8 3.5 6.1
124 7 7 1 42.969 85.939 1.13009 33.5 1.6 1.5 6.1
125 7 5 7 43.665 87.33 1.11563 66.3 3.2 3.0 6.2
126 11 3 7 43.706 87.413 1.11479 112.9 5.5 5.0 6.2
127 1 3 10 43.862 87.725 1.11163 37.3 1.8 1.7 6.2
128 0 8 0 44.518 89.036 1.09862 59.1 2.9 2.6 6.2
129 0 8 1 44.752 89.505 1.09408 39.0 1.9 1.7 6.2
130 7 7 3 44.847 89.694 1.09226 48.1 2.3 2.1 6.2
131 13 5 2 44.917 89.834 1.09092 62.6 3.1 2.8 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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