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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ROWEITE
2
Ca(2)Mn''(2)(OH)(4)[B(4)O(7)(OH)(2)]
Orthorhombic P bam Z = 4
R =0.16 NR =1677
10 .4 .1991
Ref.Str.:
Moore P.B., Araki T. (1974)
* Amer. Mineral., 59, 60-65
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.057 alpha = 90.0
b = 13.357 beta = 90.0
c = 8.289 gamma = 90.0
Unit cell volume (cub. angs.) = 1002.76
Molar volume ( cub.cm/mol.) = 151.0
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2333 0.1317 0.2445 0.87 Ca = 1.00
2 0.0 0.0 0.0 1.03 Mn = 1.00
3 0.5 0.0 0.0 1.3 Mn = 1.00
4 0.4803 0.2468 0.0 1.04 Mn = 1.00
5 0.2097 0.3003 0.5 1.14 B = 1.00
6 0.2331 0.4753 0.5 0.57 B = 1.00
7 0.3717 0.3793 0.2929 0.74 B = 1.00
8 0.1143 0.2091 0.5 1.39 OH = 1.00
9 0.1611 0.5719 0.5 0.87 OH = 1.00
10 0.1287 0.3911 0.5 0.68 O = 1.00
11 0.3092 0.2924 0.355 1.33 O = 1.00
12 0.3287 0.4695 0.3533 1.16 O = 1.00
13 0.4724 0.374 0.1695 0.87 O = 1.00
14 0.2383 0.0215 0.0 1.06 OH = 1.00
15 0.229 0.2373 0.0 1.25 OH = 1.00
16 0.4862 0.1229 0.1642 1.14 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2333 0.1317 0.2445
2 2 0.0 0.0 0.0
3 3 0.5 0.0 0.0
4 4 0.4803 0.2468 0.0
5 5 0.2097 0.3003 0.5
6 6 0.2331 0.4753 0.5
7 7 0.3717 0.3793 0.2929
8 8 0.1143 0.2091 0.5
9 9 0.1611 0.5719 0.5
10 10 0.1287 0.3911 0.5
11 11 0.3092 0.2924 0.355
12 12 0.3287 0.4695 0.3533
13 13 0.4724 0.374 0.1695
14 14 0.2383 0.0215 0.0
15 15 0.229 0.2373 0.0
16 16 0.4862 0.1229 0.1642
17 1 0.7667 0.8683 0.2445
18 4 0.5197 0.7532 0.0
19 5 0.7903 0.6997 0.5
20 6 0.7669 0.5247 0.5
21 7 0.6283 0.6207 0.2929
22 8 0.8857 0.7909 0.5
23 9 0.8389 0.4281 0.5
24 10 0.8713 0.6089 0.5
25 11 0.6908 0.7076 0.355
26 12 0.6713 0.5305 0.3533
27 13 0.5276 0.626 0.1695
28 14 0.7617 0.9785 0.0
29 15 0.771 0.7627 0.0
30 16 0.5138 0.8771 0.1642
31 1 0.2667 0.6317 0.2445
32 2 0.5 0.5 0.0
33 3 0.0 0.5 0.0
34 4 0.0197 0.7468 0.0
35 5 0.2903 0.8003 0.5
36 6 0.2669 0.9753 0.5
37 7 0.1283 0.8793 0.2929
38 8 0.3857 0.7091 0.5
39 9 0.3389 0.0719 0.5
40 10 0.3713 0.8911 0.5
41 11 0.1908 0.7924 0.355
42 12 0.1713 0.9695 0.3533
43 13 0.0276 0.874 0.1695
44 14 0.2617 0.5215 0.0
45 15 0.271 0.7373 0.0
46 16 0.0138 0.6229 0.1642
47 1 0.7333 0.3683 0.2445
48 4 0.9803 0.2532 0.0
49 5 0.7097 0.1997 0.5
50 6 0.7331 0.0247 0.5
51 7 0.8717 0.1207 0.2929
52 8 0.6143 0.2909 0.5
53 9 0.6611 0.9281 0.5
54 10 0.6287 0.1089 0.5
55 11 0.8092 0.2076 0.355
56 12 0.8287 0.0305 0.3533
57 13 0.9724 0.126 0.1695
58 14 0.7383 0.4785 0.0
59 15 0.729 0.2627 0.0
60 16 0.9862 0.3771 0.1642
61 1 0.2333 0.1317 0.7555
62 7 0.3717 0.3793 0.7071
63 11 0.3092 0.2924 0.645
64 12 0.3287 0.4695 0.6467
65 13 0.4724 0.374 0.8305
66 16 0.4862 0.1229 0.8358
67 1 0.7667 0.8683 0.7555
68 7 0.6283 0.6207 0.7071
69 11 0.6908 0.7076 0.645
70 12 0.6713 0.5305 0.6467
71 13 0.5276 0.626 0.8305
72 16 0.5138 0.8771 0.8358
73 1 0.2667 0.6317 0.7555
74 7 0.1283 0.8793 0.7071
75 11 0.1908 0.7924 0.645
76 12 0.1713 0.9695 0.6467
77 13 0.0276 0.874 0.8305
78 16 0.0138 0.6229 0.8358
79 1 0.7333 0.3683 0.7555
80 7 0.8717 0.1207 0.7071
81 11 0.8092 0.2076 0.645
82 12 0.8287 0.0305 0.6467
83 13 0.9724 0.126 0.8305
84 16 0.9862 0.3771 0.8358
X-ray density (g/cm cub.) = 2.96
MU (1/cm) = 310.33 Mass attenuation coefficient (cm**2/g) = 104.771
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.928 8
2.5915 8
2.4329 11
2.5052 14
2.4695 15
2.3882 16
2.4572 9
2.413 12
2.4446 13
2 Mn 2.772 6
2.1773 14
2.1773 14
2.2066 13
2.2066 13
2.2066 13
2.2066 13
3 Mn 2.772 6
2.3876 14
2.1361 16
2.3876 14
2.1361 16
2.1361 16
2.1361 16
4 Mn 2.772 6
2.2058 13
2.2796 15
2.1434 16
2.2625 15
2.2058 13
2.1434 16
5 B 1.92 4
1.4935 8
1.4174 10
1.5059 11
1.5059 11
6 B 1.92 4
1.4457 9
1.4693 10
1.4948 12
1.4948 12
7 B 1.92 3
1.3902 11
1.3616 12
1.3723 13
8 OH 3.36 8
2.4345 10
2.408 11
2.7379 9
3.0134 11
3.2231 13
2.408 11
3.0134 11
3.2231 13
9 OH 3.36 9
2.4327 10
2.3777 12
2.6708 10
2.7379 8
3.1924 11
3.1609 16
2.3777 12
3.1924 11
3.1609 16
10 O 3.312 9
2.4345 8
2.4327 9
2.4197 11
2.42 12
2.6708 9
3.0738 16
2.4197 11
2.42 12
3.0738 16
11 O 3.312 9
2.408 8
2.4197 10
2.3722 12
2.3952 13
3.119 15
3.1933 16
3.1924 9
3.0134 8
2.4038 11
12 O 3.312 8
2.3777 9
2.42 10
2.3722 11
2.3753 13
3.2081 12
3.1521 13
3.0703 14
2.432 12
13 O 3.312 9
2.3952 11
2.3753 12
3.1887 15
3.1521 12
3.0817 14
3.2231 8
3.118 14
3.096 15
2.81 13
14 OH 3.36 9
2.8837 15
2.9543 16
3.0703 12
3.0817 13
3.118 13
2.9543 16
3.0703 12
3.0817 13
3.118 13
15 OH 3.36 11
3.119 11
3.1887 13
2.8837 14
3.1006 16
3.096 13
3.1898 16
3.119 11
3.1887 13
3.1006 16
3.096 13
3.1898 16
16 OH 3.36 9
3.1933 11
3.3566 13
2.9543 14
3.1006 15
3.2927 16
3.1609 9
3.0738 10
3.1898 15
2.7221 16
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 0 1 5.332 10.664 0.06 228.62 2 101.2 466.0
2 1 1 0 5.898 11.796 0.067 186.44 4 34.3 87.0
3 0 2 0 6.623 13.246 0.075 147.38 2 5.2 0.8
4 1 1 1 7.964 15.927 0.09 101.25 8 2.1 0.4
5 1 2 0 8.239 16.478 0.093 94.45 4 71.9 194.2
6 0 2 1 8.518 17.036 0.096 88.23 4 4.2 0.6
7 2 0 0 9.793 19.587 0.11 66.21 2 24.1 7.7
8 1 2 1 9.834 19.668 0.111 65.64 8 54.0 152.1
9 2 1 0 10.347 20.694 0.117 59.09 4 37.5 33.1
10 0 0 2 10.711 21.422 0.121 55.0 2 92.0 92.6
11 1 3 0 11.115 22.23 0.125 50.92 4 19.4 7.6
12 2 0 1 11.176 22.352 0.126 50.34 4 237.7 1131.6
13 2 1 1 11.667 23.334 0.131 46.02 8 28.9 30.5
14 2 2 0 11.859 23.719 0.133 44.47 4 6.4 0.7
15 1 1 2 12.261 24.523 0.138 41.47 8 54.1 96.6
16 1 3 1 12.357 24.715 0.139 40.8 8 11.5 4.3
17 0 2 2 12.635 25.27 0.142 38.94 4 7.7 0.9
18 2 2 1 13.035 26.07 0.146 36.46 8 12.2 4.3
19 0 4 0 13.337 26.674 0.15 34.74 2 10.4 0.8
20 1 2 2 13.573 27.146 0.152 33.47 8 88.5 208.7
21 2 3 0 14.041 28.082 0.157 31.14 4 26.1 8.5
22 1 4 0 14.232 28.465 0.16 30.26 4 4.2 0.2
23 0 4 1 14.4 28.8 0.161 29.51 4 117.9 163.2
24 2 0 2 14.592 29.185 0.164 28.69 4 161.6 298.1
25 2 1 2 14.979 29.957 0.168 27.13 8 37.2 29.9
26 2 3 1 15.059 30.117 0.169 26.82 8 28.9 17.9
27 3 1 0 15.164 30.328 0.17 26.42 4 68.6 49.4
28 1 4 1 15.238 30.476 0.171 26.15 8 5.5 0.6
29 1 3 2 15.532 31.065 0.174 25.09 8 19.4 7.5
30 2 2 2 16.086 32.173 0.18 23.27 8 21.0 8.1
31 3 1 1 16.117 32.234 0.18 23.17 8 10.4 2.0
32 0 0 3 16.188 32.375 0.181 22.95 2 98.3 44.1
33 3 2 0 16.26 32.521 0.182 22.73 4 130.4 153.8
34 2 4 0 16.655 33.31 0.186 21.58 4 88.6 67.5
35 3 2 1 17.159 34.317 0.192 20.23 8 24.0 9.3
36 0 4 2 17.231 34.463 0.192 20.04 4 344.6 946.9
37 1 1 3 17.285 34.569 0.193 19.91 8 52.1 43.0
38 1 5 0 17.495 34.99 0.195 19.39 4 42.4 13.9
39 2 4 1 17.535 35.071 0.196 19.29 8 89.7 123.6
40 0 2 3 17.56 35.12 0.196 19.23 4 2.9 0.1
41 2 3 2 17.796 35.591 0.198 18.68 8 3.9 0.2
42 1 4 2 17.951 35.901 0.2 18.33 8 25.3 9.4
43 3 3 0 17.955 35.91 0.2 18.32 4 34.8 8.8
44 1 2 3 18.268 36.536 0.203 17.64 8 37.5 19.8
45 1 5 1 18.34 36.681 0.204 17.48 8 49.0 33.5
46 3 1 2 18.716 37.433 0.208 16.72 8 74.2 73.3
47 3 3 1 18.782 37.564 0.209 16.59 8 4.1 0.2
48 2 0 3 19.061 38.122 0.212 16.06 4 2.2 0.0
49 2 1 3 19.368 38.736 0.215 15.5 8 67.5 56.2
50 2 5 0 19.559 39.118 0.217 15.17 4 49.6 14.9
51 3 2 2 19.638 39.275 0.218 15.03 8 113.6 154.5
52 1 3 3 19.813 39.625 0.22 14.74 8 12.2 1.7
53 4 0 0 19.889 39.777 0.221 14.62 2 261.6 199.0
54 2 4 2 19.974 39.948 0.222 14.48 8 33.5 12.9
55 3 4 0 20.118 40.237 0.223 14.25 4 20.7 2.4
56 4 1 0 20.185 40.369 0.224 14.14 4 54.1 16.5
57 0 6 0 20.244 40.487 0.225 14.05 2 14.0 0.5
58 2 2 3 20.264 40.528 0.225 14.02 8 14.4 2.3
59 2 5 1 20.33 40.661 0.226 13.92 8 26.5 7.8
60 4 0 1 20.65 41.3 0.229 13.44 4 247.0 326.2
61 1 5 2 20.698 41.395 0.229 13.37 8 35.8 13.6
62 3 4 1 20.873 41.745 0.231 13.12 8 20.9 4.5
63 1 6 0 20.874 41.748 0.231 13.12 4 112.6 66.2
64 4 1 1 20.937 41.874 0.232 13.03 8 85.8 76.3
65 0 6 1 20.994 41.988 0.233 12.95 4 8.2 0.3
66 4 2 0 21.052 42.104 0.233 12.88 4 7.6 0.3
67 3 3 2 21.098 42.196 0.234 12.81 8 25.6 6.7
68 0 4 3 21.213 42.427 0.235 12.66 4 284.7 408.0
69 1 6 1 21.606 43.213 0.239 12.15 8 42.3 17.3
70 2 3 3 21.689 43.379 0.24 12.04 8 29.4 8.3
71 4 2 1 21.78 43.559 0.241 11.93 8 10.5 1.1
72 1 4 3 21.821 43.642 0.241 11.88 8 7.5 0.5
73 0 0 4 21.821 43.642 0.241 11.88 2 249.7 147.3
74 4 3 0 22.436 44.873 0.248 11.16 4 7.9 0.3
75 3 1 3 22.476 44.951 0.248 11.11 8 77.7 53.4
76 2 5 2 22.514 45.028 0.249 11.07 8 11.3 1.1
77 3 5 0 22.645 45.29 0.25 10.93 4 58.1 14.6
78 2 6 0 22.679 45.357 0.25 10.89 4 29.8 3.8
79 1 1 4 22.684 45.369 0.25 10.88 8 19.1 3.2
80 4 0 2 22.808 45.617 0.252 10.75 4 11.5 0.6
81 0 2 4 22.904 45.809 0.253 10.65 4 9.4 0.4
82 3 4 2 23.014 46.029 0.254 10.53 8 34.7 10.1
83 4 1 2 23.074 46.148 0.254 10.47 8 5.2 0.2
84 0 6 2 23.127 46.254 0.255 10.42 4 49.1 10.0
85 4 3 1 23.129 46.259 0.255 10.42 8 15.4 2.0
86 3 2 3 23.274 46.547 0.256 10.27 8 9.4 0.7
87 3 5 1 23.333 46.666 0.257 10.21 8 46.7 17.7
88 2 6 1 23.366 46.732 0.257 10.18 8 8.0 0.5
89 1 2 4 23.477 46.954 0.259 10.07 8 121.8 118.9
90 2 4 3 23.568 47.135 0.26 9.98 8 129.7 133.6
91 1 6 2 23.695 47.39 0.261 9.86 8 133.4 139.7
92 4 2 2 23.856 47.713 0.263 9.71 8 28.2 6.1
93 2 0 4 24.128 48.257 0.265 9.46 4 25.1 2.4
94 1 5 3 24.204 48.409 0.266 9.4 8 19.2 2.8
95 4 4 0 24.269 48.538 0.267 9.34 4 21.0 1.6
96 1 7 0 24.365 48.729 0.268 9.26 4 16.7 1.0
97 2 1 4 24.383 48.765 0.268 9.24 8 53.0 20.6
98 3 3 3 24.559 49.118 0.27 9.09 8 3.5 0.1
99 1 3 4 24.754 49.509 0.272 8.93 8 16.4 1.9
100 4 4 1 24.923 49.846 0.274 8.79 8 90.5 57.4
101 1 7 1 25.016 50.033 0.274 8.72 8 15.7 1.7
102 4 3 2 25.119 50.239 0.276 8.64 8 80.8 44.9
103 2 2 4 25.134 50.269 0.276 8.62 8 3.8 0.1
104 3 5 2 25.311 50.622 0.278 8.49 8 47.0 14.9
105 2 6 2 25.342 50.684 0.278 8.46 8 30.2 6.1
106 5 1 0 25.413 50.825 0.279 8.41 4 45.9 7.0
107 3 6 0 25.462 50.924 0.279 8.37 4 140.5 65.7
108 2 5 3 25.827 51.654 0.283 8.11 8 26.6 4.6
109 0 4 4 25.943 51.885 0.284 8.02 4 42.7 5.8
110 2 7 0 25.98 51.959 0.284 8.0 4 13.0 0.5
111 5 1 1 26.045 52.09 0.285 7.95 8 4.0 0.1
112 4 0 3 26.093 52.186 0.286 7.92 4 83.5 22.0
113 3 6 1 26.094 52.187 0.286 7.92 8 55.0 19.1
114 5 2 0 26.142 52.285 0.286 7.89 4 95.6 28.7
115 3 4 3 26.28 52.559 0.287 7.79 8 3.0 0.1
116 4 1 3 26.334 52.667 0.288 7.76 8 20.0 2.5
117 2 3 4 26.352 52.704 0.288 7.74 8 10.1 0.6
118 0 6 3 26.382 52.763 0.288 7.72 4 23.9 1.7
119 1 4 4 26.466 52.931 0.289 7.67 8 16.6 1.7
120 4 5 0 26.484 52.968 0.289 7.66 4 55.0 9.2
121 2 7 1 26.603 53.205 0.291 7.58 8 41.9 10.6
122 5 2 1 26.763 53.525 0.292 7.48 8 0.6 0.0
123 4 4 2 26.814 53.628 0.293 7.44 8 245.1 355.8
124 1 6 3 26.899 53.797 0.294 7.39 8 27.6 4.5
125 1 7 2 26.903 53.805 0.294 7.39 8 8.9 0.5
126 3 1 4 27.034 54.069 0.295 7.31 8 33.2 6.4
127 4 2 3 27.046 54.092 0.295 7.3 8 12.1 0.8
128 4 5 1 27.099 54.198 0.296 7.27 8 51.6 15.4
129 5 3 0 27.328 54.656 0.298 7.13 4 18.0 0.9
130 0 8 0 27.474 54.948 0.299 7.04 2 261.4 95.7
131 0 0 5 27.687 55.374 0.302 6.92 2 119.2 19.6
132 3 2 4 27.734 55.469 0.302 6.89 8 95.1 49.6
133 5 1 2 27.882 55.764 0.304 6.81 8 29.7 4.8
134 3 6 2 27.928 55.856 0.304 6.78 8 80.6 35.1
135 5 3 1 27.93 55.861 0.304 6.78 8 3.2 0.1
136 1 8 0 27.977 55.955 0.305 6.76 4 21.9 1.3
137 2 4 4 27.994 55.988 0.305 6.75 8 209.4 235.4
138 0 8 1 28.074 56.148 0.305 6.71 4 177.4 83.9
139 4 3 3 28.205 56.411 0.307 6.63 8 40.4 8.6
140 3 5 3 28.382 56.765 0.309 6.54 8 24.5 3.1
141 2 6 3 28.411 56.822 0.309 6.53 8 0.7 0.0
142 2 7 2 28.415 56.829 0.309 6.52 8 4.2 0.1
143 1 1 5 28.416 56.832 0.309 6.52 8 13.2 0.9
144 3 7 0 28.526 57.051 0.31 6.47 4 11.2 0.3
145 1 5 4 28.559 57.118 0.31 6.45 8 7.7 0.3
146 5 2 2 28.568 57.136 0.31 6.45 8 80.6 33.3
147 1 8 1 28.57 57.141 0.31 6.44 8 14.0 1.0
148 0 2 5 28.603 57.206 0.311 6.43 4 5.0 0.1
149 3 3 4 28.875 57.751 0.313 6.29 8 30.0 4.5
150 4 5 2 28.89 57.78 0.314 6.28 8 72.8 26.5
151 5 4 0 28.932 57.865 0.314 6.26 4 6.1 0.1
152 4 6 0 29.028 58.056 0.315 6.22 4 43.0 4.6
153 1 2 5 29.094 58.187 0.316 6.19 8 28.6 4.0
154 3 7 1 29.111 58.223 0.316 6.18 8 7.7 0.3
155 2 8 0 29.453 58.906 0.319 6.02 4 77.6 14.4
156 5 4 1 29.513 59.026 0.32 5.99 8 0.9 0.0
157 4 6 1 29.607 59.215 0.321 5.95 8 14.8 1.0
158 2 0 5 29.656 59.313 0.321 5.92 4 103.1 25.1
159 5 3 2 29.688 59.376 0.321 5.91 8 39.5 7.3
160 4 4 3 29.779 59.557 0.322 5.87 8 164.7 126.7
161 0 8 2 29.827 59.653 0.323 5.85 4 6.8 0.1
162 1 7 3 29.862 59.723 0.323 5.83 8 4.1 0.1
163 2 1 5 29.877 59.755 0.323 5.83 8 25.6 3.0
164 2 5 4 30.016 60.032 0.325 5.77 8 12.9 0.8
165 2 8 1 30.027 60.054 0.325 5.76 8 96.0 42.2
166 1 3 5 30.202 60.403 0.327 5.69 8 9.1 0.4
167 4 0 4 30.257 60.515 0.327 5.66 4 149.3 50.2
168 1 8 2 30.305 60.609 0.328 5.64 8 33.3 5.0
169 3 4 4 30.427 60.854 0.329 5.59 8 3.1 0.0
170 4 1 4 30.476 60.952 0.329 5.57 8 71.7 22.8
171 0 6 4 30.52 61.039 0.33 5.56 4 6.9 0.1
172 2 2 5 30.535 61.069 0.33 5.55 8 10.4 0.5
173 6 0 0 30.683 61.366 0.331 5.49 2 85.1 7.9
174 5 1 3 30.78 61.559 0.332 5.45 8 29.4 3.8
175 3 6 3 30.823 61.646 0.333 5.44 8 37.0 5.9
176 3 7 2 30.827 61.654 0.333 5.43 8 22.0 2.1
177 6 1 0 30.9 61.799 0.333 5.41 4 37.7 3.1
178 5 5 0 30.916 61.832 0.334 5.4 4 1.9 0.0
179 1 6 4 30.991 61.982 0.334 5.37 8 9.7 0.4
180 4 2 4 31.126 62.251 0.336 5.32 8 15.5 1.0
181 5 4 2 31.215 62.43 0.336 5.29 8 3.9 0.1
182 6 0 1 31.244 62.488 0.337 5.28 4 52.8 5.8
183 0 4 5 31.248 62.497 0.337 5.27 4 102.1 21.9
184 2 7 3 31.281 62.563 0.337 5.26 8 6.4 0.2
185 4 6 2 31.306 62.613 0.337 5.25 8 6.1 0.2
186 5 2 3 31.426 62.852 0.338 5.21 8 31.1 4.0
187 6 1 1 31.458 62.916 0.339 5.2 8 14.1 0.8
188 5 5 1 31.474 62.949 0.339 5.19 8 8.8 0.3
189 6 2 0 31.544 63.089 0.34 5.17 4 33.8 2.4
190 2 3 5 31.612 63.225 0.34 5.14 8 26.9 3.0
191 2 8 2 31.713 63.425 0.341 5.11 8 135.5 74.6
192 1 4 5 31.714 63.427 0.341 5.11 8 0.6 0.0
193 4 5 3 31.73 63.461 0.341 5.1 8 37.3 5.6
194 1 9 0 31.732 63.463 0.341 5.1 4 7.4 0.1
195 3 8 0 31.817 63.633 0.342 5.07 4 38.7 3.0
196 4 7 0 31.864 63.729 0.343 5.05 4 84.0 14.2
197 6 2 1 32.097 64.193 0.345 4.97 8 3.0 0.0
198 4 3 4 32.192 64.384 0.346 4.94 8 29.8 3.5
199 3 1 5 32.223 64.445 0.346 4.93 8 21.9 1.9
200 1 9 1 32.282 64.564 0.347 4.91 8 14.3 0.8
201 3 5 4 32.356 64.711 0.347 4.89 8 18.5 1.3
202 3 8 1 32.366 64.732 0.347 4.88 8 4.9 0.1
203 2 6 4 32.382 64.764 0.348 4.88 8 10.6 0.4
204 4 7 1 32.414 64.827 0.348 4.87 8 21.1 1.7
205 5 3 3 32.487 64.973 0.349 4.84 8 1.4 0.0
206 6 3 0 32.603 65.206 0.35 4.81 4 49.1 4.6
207 0 8 3 32.618 65.237 0.35 4.8 4 63.8 7.8
208 3 2 5 32.853 65.706 0.352 4.73 8 14.4 0.8
209 6 0 2 32.894 65.787 0.353 4.72 4 102.8 19.8
210 1 8 3 33.073 66.146 0.354 4.66 8 7.1 0.2
211 2 4 5 33.088 66.176 0.354 4.66 8 63.5 15.0
212 6 1 2 33.102 66.204 0.355 4.65 8 58.9 12.9
213 2 9 0 33.105 66.211 0.355 4.65 4 18.5 0.6
214 5 5 2 33.118 66.236 0.355 4.65 8 14.4 0.8
215 6 3 1 33.146 66.292 0.355 4.64 8 9.2 0.3
216 5 6 0 33.245 66.491 0.356 4.61 4 51.1 4.8
217 3 7 3 33.571 67.142 0.359 4.52 8 26.2 2.5
218 1 5 5 33.601 67.203 0.359 4.51 8 15.1 0.8
219 2 9 1 33.644 67.288 0.36 4.5 8 2.9 0.0
220 4 4 4 33.654 67.308 0.36 4.49 8 84.3 25.4
221 6 2 2 33.724 67.448 0.36 4.47 8 8.1 0.2
222 1 7 4 33.732 67.463 0.36 4.47 8 20.3 1.5
223 5 6 1 33.783 67.566 0.361 4.46 8 29.9 3.2
224 0 0 6 33.888 67.776 0.362 4.43 2 172.2 26.1
225 3 3 5 33.89 67.78 0.362 4.43 8 3.6 0.0
226 1 9 2 33.905 67.809 0.362 4.42 8 15.7 0.9
227 5 4 3 33.942 67.884 0.362 4.41 8 12.8 0.6
228 3 8 2 33.987 67.974 0.363 4.4 8 18.4 1.2
229 4 6 3 34.03 68.059 0.363 4.39 8 17.4 1.1
230 4 7 2 34.033 68.066 0.363 4.39 8 9.1 0.3
231 6 4 0 34.056 68.112 0.364 4.38 4 103.2 18.6
232 2 8 3 34.419 68.838 0.367 4.29 8 39.9 5.4
233 1 1 6 34.538 69.077 0.368 4.26 8 6.0 0.1
234 6 4 1 34.587 69.175 0.368 4.25 8 46.7 7.4
235 5 1 4 34.593 69.185 0.369 4.24 8 8.6 0.3
236 3 6 4 34.633 69.267 0.369 4.23 8 75.1 19.0
237 0 2 6 34.706 69.413 0.37 4.22 4 9.6 0.2
238 6 3 2 34.748 69.496 0.37 4.21 8 3.6 0.0
239 2 5 5 34.937 69.875 0.372 4.16 8 7.4 0.2
240 4 8 0 34.975 69.949 0.372 4.15 4 190.6 60.0
241 2 7 4 35.065 70.13 0.373 4.13 8 16.7 0.9
242 1 2 6 35.148 70.296 0.374 4.11 8 84.8 23.5
243 4 0 5 35.16 70.321 0.374 4.11 4 169.1 46.7
244 5 2 4 35.202 70.403 0.374 4.1 8 63.2 13.0
245 0 10 0 35.218 70.436 0.374 4.09 2 4.2 0.0
246 2 9 2 35.235 70.471 0.374 4.09 8 11.2 0.4
247 3 4 5 35.317 70.634 0.375 4.07 8 8.4 0.2
248 3 9 0 35.334 70.668 0.375 4.07 4 41.8 2.8
249 4 1 5 35.362 70.725 0.376 4.06 8 37.7 4.6
250 5 6 2 35.371 70.743 0.376 4.06 8 51.2 8.5
251 0 6 5 35.403 70.806 0.376 4.05 4 15.4 0.4
252 4 5 4 35.489 70.979 0.377 4.03 8 23.7 1.8
253 4 8 1 35.5 70.999 0.377 4.03 8 119.9 46.0
254 6 0 3 35.554 71.109 0.377 4.02 4 65.7 6.9
255 1 10 0 35.656 71.313 0.378 3.99 4 31.9 1.6
256 2 0 6 35.657 71.315 0.378 3.99 4 145.1 33.5
257 0 10 1 35.741 71.482 0.379 3.98 4 36.0 2.1
258 6 1 3 35.756 71.511 0.379 3.97 8 3.7 0.0
259 5 5 3 35.771 71.542 0.379 3.97 8 51.8 8.5
260 1 6 5 35.841 71.681 0.38 3.95 8 18.2 1.0
261 3 9 1 35.857 71.713 0.38 3.95 8 3.9 0.0
262 2 1 6 35.858 71.716 0.38 3.95 8 23.6 1.8
263 6 5 0 35.882 71.764 0.38 3.94 4 44.6 3.1
264 5 7 0 35.897 71.795 0.381 3.94 4 31.2 1.5
265 4 2 5 35.966 71.932 0.381 3.93 8 0.8 0.0
266 1 3 6 36.154 72.308 0.383 3.89 8 8.3 0.2
267 6 4 2 36.16 72.32 0.383 3.89 8 3.2 0.0
268 1 10 1 36.177 72.354 0.383 3.88 8 55.7 9.6
269 5 3 4 36.207 72.414 0.383 3.88 8 16.7 0.9
270 0 8 4 36.332 72.664 0.385 3.85 4 152.6 35.7
271 6 2 3 36.356 72.713 0.385 3.85 8 10.0 0.3
272 6 5 1 36.402 72.803 0.385 3.84 8 9.4 0.3
273 5 7 1 36.417 72.833 0.385 3.83 8 0.7 0.0
274 2 2 6 36.458 72.916 0.386 3.82 8 10.3 0.3
275 1 9 3 36.531 73.062 0.386 3.81 8 3.7 0.0
276 3 8 3 36.611 73.221 0.387 3.79 8 7.3 0.2
277 4 7 3 36.655 73.311 0.388 3.79 8 32.4 3.2
278 7 1 0 36.736 73.471 0.388 3.77 4 41.8 2.6
279 1 8 4 36.765 73.53 0.389 3.76 8 21.6 1.4
280 2 10 0 36.959 73.919 0.39 3.73 4 23.0 0.8
281 4 3 5 36.962 73.925 0.39 3.73 8 4.5 0.1
282 4 8 2 37.056 74.111 0.391 3.71 8 25.7 1.9
283 0 4 6 37.114 74.228 0.392 3.7 4 147.6 32.1
284 3 5 5 37.116 74.232 0.392 3.7 8 1.4 0.0
285 2 6 5 37.141 74.282 0.392 3.69 8 0.8 0.0
286 3 7 4 37.241 74.482 0.393 3.68 8 31.6 2.9
287 7 1 1 37.25 74.501 0.393 3.67 8 7.2 0.2
288 0 10 2 37.293 74.587 0.393 3.67 4 39.9 2.3
289 7 2 0 37.33 74.66 0.394 3.66 4 63.5 5.9
290 6 3 3 37.349 74.698 0.394 3.66 8 59.6 10.3
291 3 9 2 37.407 74.814 0.394 3.65 8 7.9 0.2
292 2 3 6 37.45 74.9 0.395 3.64 8 16.5 0.8
293 2 10 1 37.473 74.946 0.395 3.63 8 17.0 0.8
294 1 4 6 37.544 75.087 0.396 3.62 8 17.3 0.9
295 5 4 4 37.596 75.192 0.396 3.61 8 19.0 1.0
296 4 6 4 37.68 75.36 0.397 3.6 8 40.9 4.8
297 1 10 2 37.722 75.445 0.397 3.59 8 46.1 6.1
298 2 9 3 37.822 75.645 0.398 3.57 8 10.1 0.3
299 7 2 1 37.842 75.684 0.398 3.57 8 8.2 0.2
300 6 5 2 37.943 75.887 0.399 3.55 8 17.5 0.9
301 5 6 3 37.955 75.91 0.399 3.55 8 45.5 5.9
302 5 7 2 37.958 75.916 0.399 3.55 8 2.9 0.0
303 3 1 6 38.016 76.032 0.4 3.54 8 10.4 0.3
304 2 8 4 38.054 76.107 0.4 3.54 8 15.2 0.6
305 6 6 0 38.064 76.127 0.4 3.53 4 9.7 0.1
306 7 3 0 38.314 76.627 0.402 3.49 4 48.6 3.3
307 4 4 5 38.342 76.683 0.403 3.49 8 42.6 5.0
308 4 9 0 38.358 76.716 0.403 3.49 4 68.4 6.5
309 1 7 5 38.415 76.83 0.403 3.48 8 6.8 0.1
310 6 6 1 38.572 77.145 0.405 3.45 8 17.3 0.8
311 3 2 6 38.603 77.207 0.405 3.45 8 60.5 10.0
312 6 4 3 38.723 77.447 0.406 3.43 8 106.6 31.0
313 7 1 2 38.78 77.56 0.407 3.42 8 15.1 0.6
314 7 3 1 38.821 77.642 0.407 3.42 8 1.3 0.0
315 2 4 6 38.823 77.646 0.407 3.42 8 54.6 8.1
316 5 8 0 38.861 77.722 0.407 3.41 4 24.7 0.8
317 4 9 1 38.865 77.731 0.407 3.41 8 30.0 2.4
318 2 10 2 39.0 78.0 0.409 3.39 8 23.5 1.5
319 3 10 0 39.095 78.19 0.409 3.38 4 74.3 7.4
320 6 0 4 39.148 78.295 0.41 3.37 4 36.8 1.8
321 5 1 5 39.234 78.468 0.411 3.36 8 20.2 1.1
322 3 6 5 39.273 78.546 0.411 3.35 8 23.2 1.4
323 1 5 6 39.305 78.61 0.411 3.35 8 26.1 1.8
324 6 1 4 39.342 78.684 0.412 3.34 8 26.7 1.9
325 5 5 4 39.357 78.713 0.412 3.34 8 57.3 8.7
326 7 2 2 39.364 78.728 0.412 3.34 8 59.2 9.3
327 5 8 1 39.366 78.733 0.412 3.34 8 4.2 0.0
328 3 3 6 39.577 79.154 0.414 3.31 8 16.6 0.7
329 4 8 3 39.599 79.198 0.414 3.31 8 35.8 3.4
330 3 10 1 39.6 79.199 0.414 3.31 8 23.5 1.5
331 7 4 0 39.677 79.355 0.414 3.3 4 27.1 1.0
332 2 7 5 39.686 79.372 0.415 3.3 8 5.4 0.1
333 1 11 0 39.794 79.588 0.415 3.28 4 17.4 0.4
334 5 2 5 39.816 79.633 0.416 3.28 8 5.3 0.1
335 0 10 3 39.832 79.664 0.416 3.28 4 11.7 0.2
336 6 2 4 39.924 79.848 0.417 3.26 8 11.1 0.3
337 3 9 3 39.943 79.886 0.417 3.26 8 17.7 0.8
338 6 6 2 40.086 80.173 0.418 3.24 8 9.2 0.2
339 4 5 5 40.092 80.185 0.418 3.24 8 16.7 0.7
340 1 9 4 40.093 80.187 0.418 3.24 8 1.2 0.0
341 3 8 4 40.171 80.341 0.419 3.23 8 19.7 1.0
342 7 4 1 40.18 80.36 0.419 3.23 8 25.7 1.7
343 4 7 4 40.214 80.428 0.419 3.23 8 3.8 0.0
344 1 10 3 40.253 80.505 0.419 3.22 8 0.3 0.0
345 1 11 1 40.296 80.593 0.42 3.22 8 18.0 0.8
346 7 3 2 40.333 80.665 0.42 3.21 8 35.8 3.3
347 4 9 2 40.376 80.753 0.421 3.21 8 0.6 0.0
348 6 5 3 40.469 80.939 0.421 3.2 8 48.7 6.0
349 5 7 3 40.484 80.968 0.421 3.2 8 27.4 1.9
350 2 5 6 40.568 81.136 0.422 3.19 8 5.6 0.1
351 0 0 7 40.579 81.158 0.422 3.19 2 34.8 0.8
352 6 7 0 40.591 81.182 0.422 3.18 4 22.5 0.6
353 4 0 6 40.78 81.56 0.424 3.16 4 42.9 2.3
354 5 3 5 40.782 81.564 0.424 3.16 8 9.1 0.2
355 5 8 2 40.873 81.745 0.425 3.15 8 21.5 1.2
356 6 3 4 40.889 81.778 0.425 3.15 8 48.9 6.0
357 0 8 5 40.903 81.806 0.425 3.15 4 115.6 16.7
358 3 4 6 40.929 81.859 0.425 3.15 8 25.4 1.6
359 4 1 6 40.973 81.945 0.426 3.14 8 3.1 0.0
360 0 6 6 41.011 82.022 0.426 3.14 4 22.8 0.7
361 2 11 0 41.054 82.107 0.426 3.13 4 1.5 0.0
362 6 7 1 41.091 82.182 0.427 3.13 8 25.3 1.6
363 3 10 2 41.104 82.208 0.427 3.13 8 57.7 8.3
364 1 1 7 41.19 82.381 0.427 3.12 8 1.9 0.0
365 7 1 3 41.292 82.585 0.428 3.11 8 18.4 0.8
366 1 8 5 41.321 82.642 0.429 3.1 8 10.6 0.3
367 0 2 7 41.349 82.698 0.429 3.1 4 1.8 0.0
368 2 9 4 41.351 82.702 0.429 3.1 8 10.1 0.3
369 7 5 0 41.413 82.827 0.429 3.09 4 32.4 1.3
370 1 6 6 41.429 82.858 0.43 3.09 8 58.6 8.4
371 5 6 4 41.48 82.96 0.43 3.09 8 83.3 17.0
372 2 10 3 41.509 83.018 0.43 3.09 8 3.0 0.0
373 4 2 6 41.549 83.098 0.431 3.08 8 8.7 0.2
374 2 11 1 41.552 83.105 0.431 3.08 8 5.9 0.1
375 7 4 2 41.68 83.359 0.432 3.07 8 5.4 0.1
376 1 2 7 41.766 83.533 0.432 3.06 8 2.7 0.0
377 3 7 5 41.782 83.563 0.433 3.06 8 18.7 0.9
378 1 11 2 41.795 83.59 0.433 3.06 8 16.3 0.6
379 7 2 3 41.868 83.736 0.433 3.05 8 5.0 0.1
380 7 5 1 41.912 83.823 0.434 3.05 8 20.6 1.0
381 4 10 0 42.032 84.065 0.435 3.04 4 32.3 1.3
382 5 4 5 42.126 84.253 0.435 3.03 8 2.4 0.0
383 5 9 0 42.142 84.285 0.436 3.03 4 11.8 0.2
384 4 6 5 42.208 84.416 0.436 3.02 8 11.7 0.3
385 6 4 4 42.233 84.465 0.436 3.02 8 91.4 20.1
386 2 0 7 42.25 84.5 0.436 3.02 4 125.2 18.8
387 2 1 7 42.441 84.883 0.438 3.0 8 18.9 0.9
388 4 3 6 42.507 85.014 0.439 2.99 8 28.9 2.0
389 4 10 1 42.529 85.059 0.439 2.99 8 10.5 0.3
390 2 8 5 42.572 85.143 0.439 2.99 8 67.0 10.7
391 6 6 3 42.581 85.163 0.439 2.99 8 29.9 2.1
392 6 7 2 42.585 85.169 0.439 2.99 8 55.7 7.4
393 5 9 1 42.639 85.279 0.44 2.98 8 6.6 0.1
394 3 5 6 42.655 85.311 0.44 2.98 8 43.8 4.5
395 2 6 6 42.679 85.358 0.44 2.98 8 12.3 0.4
396 1 3 7 42.723 85.447 0.44 2.98 8 1.4 0.0
397 7 3 3 42.825 85.65 0.441 2.97 8 2.6 0.0
398 4 9 3 42.868 85.737 0.442 2.96 8 0.6 0.0
399 8 0 0 42.874 85.747 0.442 2.96 2 127.0 9.5
400 2 2 7 43.015 86.03 0.443 2.95 8 2.3 0.0
401 2 11 2 43.044 86.087 0.443 2.95 8 51.1 6.1
402 8 1 0 43.065 86.129 0.443 2.95 4 107.9 13.6
403 4 8 4 43.093 86.186 0.443 2.95 8 115.6 31.3
404 3 11 0 43.137 86.274 0.444 2.94 4 50.5 3.0
405 0 10 4 43.322 86.645 0.445 2.93 4 18.5 0.4
406 5 8 3 43.36 86.72 0.446 2.93 8 9.0 0.2
407 8 0 1 43.37 86.739 0.446 2.93 4 77.0 6.9
408 7 5 2 43.401 86.802 0.446 2.92 8 4.1 0.0
409 3 9 4 43.432 86.864 0.446 2.92 8 10.2 0.2
410 6 8 0 43.466 86.932 0.447 2.92 4 21.1 0.5
411 7 6 0 43.518 87.036 0.447 2.92 4 5.1 0.0
412 8 1 1 43.56 87.121 0.447 2.91 8 38.4 3.4
413 3 10 3 43.589 87.178 0.448 2.91 8 6.5 0.1
414 3 11 1 43.632 87.265 0.448 2.91 8 4.2 0.0
415 8 2 0 43.637 87.275 0.448 2.91 4 19.2 0.4
416 6 0 5 43.641 87.281 0.448 2.91 4 52.8 3.2
417 0 4 7 43.645 87.29 0.448 2.91 4 56.2 3.7
418 1 10 4 43.737 87.475 0.449 2.9 8 72.8 12.2
419 0 12 0 43.791 87.581 0.449 2.9 2 62.4 2.2
420 6 1 5 43.831 87.663 0.45 2.9 8 25.4 1.5
421 4 4 6 43.844 87.687 0.45 2.89 8 116.1 31.0
422 5 5 5 43.846 87.692 0.45 2.89 8 15.1 0.5
423 1 7 6 43.915 87.831 0.45 2.89 8 0.8 0.0
424 6 5 4 43.952 87.903 0.451 2.89 8 49.7 5.7
425 6 8 1 43.961 87.922 0.451 2.89 8 74.0 12.6
426 5 7 4 43.966 87.932 0.451 2.89 8 55.6 7.1
427 2 3 7 43.969 87.938 0.451 2.89 8 0.8 0.0
428 7 6 1 44.013 88.027 0.451 2.88 8 26.6 1.6
429 4 10 2 44.017 88.033 0.451 2.88 8 14.6 0.5
430 1 4 7 44.06 88.119 0.451 2.88 8 1.4 0.0
431 5 9 2 44.126 88.252 0.452 2.88 8 7.4 0.1
432 8 2 1 44.132 88.265 0.452 2.88 8 16.6 0.6
433 7 4 3 44.161 88.322 0.452 2.87 8 23.2 1.2
434 1 12 0 44.205 88.41 0.453 2.87 4 63.7 4.6
435 1 11 3 44.276 88.551 0.453 2.87 8 10.0 0.2
436 0 12 1 44.286 88.571 0.453 2.87 4 87.2 8.7
437 6 2 5 44.403 88.807 0.454 2.86 8 3.8 0.0
438 3 1 7 44.517 89.034 0.455 2.85 8 2.2 0.0
439 1 9 5 44.57 89.141 0.456 2.85 8 9.4 0.2
440 8 3 0 44.591 89.181 0.456 2.85 4 25.5 0.7
441 3 8 5 44.647 89.293 0.456 2.85 8 12.1 0.3
442 4 7 5 44.689 89.379 0.456 2.84 8 33.3 2.5
443 1 12 1 44.7 89.4 0.457 2.84 8 28.2 1.8
444 5 1 6 44.716 89.431 0.457 2.84 8 13.9 0.4
445 3 6 6 44.754 89.508 0.457 2.84 8 32.9 2.4
446 7 1 4 44.766 89.533 0.457 2.84 8 32.9 2.5
447 8 0 2 44.855 89.71 0.458 2.84 4 30.4 1.0
448 2 10 4 44.981 89.962 0.459 2.83 8 31.2 2.2
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 5.332 10.664 8.289 466.0 41.2 41.5 5.6
2 1 1 0 5.898 11.796 7.49619 87.0 7.7 7.7 5.6
3 1 2 0 8.239 16.478 5.37517 194.2 17.2 17.2 5.6
4 1 2 1 9.834 19.668 4.50993 152.1 13.4 13.5 5.6
5 2 1 0 10.347 20.694 4.28872 33.1 2.9 2.9 5.6
6 0 0 2 10.711 21.422 4.1445 92.6 8.2 8.2 5.6
7 2 0 1 11.176 22.352 3.97409 1131.6 100.0 100.0 5.6
8 2 1 1 11.667 23.334 3.80907 30.5 2.7 2.7 5.6
9 1 1 2 12.261 24.523 3.62706 96.6 8.5 8.5 5.6
10 1 2 2 13.573 27.146 3.28215 208.7 18.4 18.4 5.6
11 0 4 1 14.4 28.8 3.09736 163.2 14.4 14.4 5.6
12 2 0 2 14.592 29.185 3.05736 298.1 26.3 26.2 5.6
13 2 1 2 14.979 29.957 2.98029 29.9 2.6 2.6 5.6
14 2 3 1 15.059 30.117 2.96482 17.9 1.6 1.6 5.6
15 3 1 0 15.164 30.328 2.94472 49.4 4.4 4.3 5.6
16 0 0 3 16.188 32.375 2.763 44.1 3.9 3.9 5.6
17 3 2 0 16.26 32.521 2.75098 153.8 13.6 13.5 5.6
18 2 4 0 16.655 33.31 2.68759 67.5 6.0 5.9 5.6
19 0 4 2 17.231 34.463 2.60026 946.9 83.7 82.9 5.7
20 1 1 3 17.285 34.569 2.5925 43.0 3.8 3.8 5.7
21 1 5 0 17.495 34.99 2.56227 13.9 1.2 1.2 5.7
22 2 4 1 17.535 35.071 2.55656 123.7 10.9 10.8 5.7
23 1 4 2 17.951 35.901 2.4993 18.2 1.6 1.6 5.7
24 1 2 3 18.268 36.536 2.45736 19.8 1.7 1.7 5.7
25 1 5 1 18.34 36.681 2.44798 33.5 3.0 2.9 5.7
26 3 1 2 18.716 37.433 2.40049 73.3 6.5 6.4 5.7
27 2 1 3 19.368 38.736 2.32271 56.2 5.0 4.9 5.7
28 2 5 0 19.559 39.118 2.30089 14.9 1.3 1.3 5.7
29 3 2 2 19.638 39.275 2.29202 154.5 13.7 13.5 5.7
30 4 0 0 19.889 39.777 2.26425 199.0 17.6 17.3 5.7
31 2 4 2 19.974 39.948 2.25496 12.9 1.1 1.1 5.7
32 4 1 0 20.185 40.369 2.2324 16.5 1.5 1.4 5.7
33 4 0 1 20.65 41.3 2.18422 326.2 28.8 28.4 5.7
34 1 5 2 20.698 41.395 2.1794 13.6 1.2 1.2 5.7
35 1 6 0 20.874 41.748 2.16182 70.7 6.3 6.1 5.7
36 4 1 1 20.937 41.874 2.15559 76.3 6.7 6.6 5.7
37 0 4 3 21.213 42.427 2.12876 408.0 36.1 35.4 5.7
38 1 6 1 21.606 43.213 2.09185 17.3 1.5 1.5 5.7
39 0 0 4 21.821 43.642 2.07225 147.3 13.0 12.8 5.7
40 3 1 3 22.476 44.951 2.01492 53.4 4.7 4.6 5.7
41 3 5 0 22.645 45.29 2.00062 14.6 1.3 1.3 5.7
42 0 6 2 23.127 46.254 1.96116 11.9 1.1 1.0 5.7
43 3 5 1 23.333 46.666 1.94478 17.7 1.6 1.5 5.7
44 1 2 4 23.477 46.954 1.93354 118.9 10.5 10.3 5.7
45 2 4 3 23.568 47.135 1.92652 133.6 11.8 11.5 5.7
46 1 6 2 23.695 47.39 1.91674 139.7 12.3 12.1 5.7
47 2 1 4 24.383 48.765 1.86586 21.6 1.9 1.9 5.7
48 4 4 1 24.923 49.846 1.82791 57.4 5.1 4.9 5.7
49 4 3 2 25.119 50.239 1.81454 45.0 4.0 3.9 5.8
50 3 5 2 25.311 50.622 1.80169 14.9 1.3 1.3 5.8
51 3 6 0 25.462 50.924 1.79172 65.7 5.8 5.7 5.8
52 4 0 3 26.093 52.186 1.75131 41.0 3.6 3.5 5.8
53 5 2 0 26.142 52.285 1.74824 28.7 2.5 2.5 5.8
54 4 4 2 26.814 53.628 1.70759 355.8 31.4 30.5 5.8
55 4 5 1 27.099 54.198 1.69095 15.4 1.4 1.3 5.8
56 0 8 0 27.474 54.948 1.66963 95.7 8.5 8.2 5.8
57 0 0 5 27.687 55.374 1.6578 19.6 1.7 1.7 5.8
58 3 2 4 27.734 55.469 1.65519 49.6 4.4 4.2 5.8
59 3 6 2 27.928 55.856 1.64462 35.1 3.1 3.0 5.8
60 2 4 4 27.994 55.988 1.64107 236.7 20.9 20.2 5.8
61 0 8 1 28.074 56.148 1.63675 83.9 7.4 7.2 5.8
62 5 2 2 28.568 57.136 1.61079 34.3 3.0 2.9 5.8
63 4 5 2 28.89 57.78 1.59435 31.0 2.7 2.6 5.8
64 2 8 0 29.453 58.906 1.56654 14.4 1.3 1.2 5.8
65 2 0 5 29.656 59.313 1.55676 25.1 2.2 2.1 5.8
66 4 4 3 29.779 59.557 1.55095 126.7 11.2 10.8 5.8
67 2 8 1 30.027 60.054 1.53929 42.2 3.7 3.6 5.8
68 4 0 4 30.257 60.515 1.52868 50.2 4.4 4.3 5.8
69 4 1 4 30.476 60.952 1.51877 22.8 2.0 1.9 5.8
70 0 4 5 31.248 62.497 1.48488 27.7 2.4 2.3 5.8
71 2 8 2 31.713 63.425 1.46536 80.4 7.1 6.8 5.9
72 4 7 0 31.864 63.729 1.45911 14.2 1.3 1.2 5.9
73 0 8 3 32.618 65.237 1.42899 12.4 1.1 1.0 5.9
74 6 0 2 32.894 65.787 1.41835 19.8 1.8 1.7 5.9
75 2 4 5 33.088 66.176 1.41096 28.4 2.5 2.4 5.9
76 4 4 4 33.654 67.308 1.38996 25.4 2.2 2.1 5.9
77 0 0 6 33.888 67.776 1.3815 27.0 2.4 2.3 5.9
78 6 4 0 34.056 68.112 1.37549 19.9 1.8 1.7 5.9
79 3 6 4 34.633 69.267 1.35535 19.0 1.7 1.6 5.9
80 4 8 0 34.975 69.949 1.34379 60.0 5.3 5.0 5.9
81 4 0 5 35.16 70.321 1.3376 70.2 6.2 5.9 5.9
82 5 2 4 35.202 70.403 1.33623 13.0 1.2 1.1 5.9
83 5 6 2 35.371 70.743 1.33065 15.9 1.4 1.3 5.9
84 4 8 1 35.5 70.999 1.32647 47.8 4.2 4.0 5.9
85 2 0 6 35.657 71.315 1.32138 35.1 3.1 2.9 5.9
86 0 8 4 36.332 72.664 1.30013 36.0 3.2 3.0 6.0
87 0 4 6 37.114 74.228 1.27656 32.1 2.8 2.7 6.0
88 6 3 3 37.349 74.698 1.26969 16.2 1.4 1.3 6.0
89 4 4 5 38.342 76.683 1.24169 14.8 1.3 1.2 6.0
90 6 4 3 38.723 77.447 1.23134 31.0 2.7 2.6 6.0
91 7 2 2 39.364 78.728 1.21448 20.0 1.8 1.6 6.0
92 0 8 5 40.903 81.806 1.1764 25.5 2.3 2.1 6.1
93 5 6 4 41.48 82.96 1.16293 17.1 1.5 1.4 6.1
94 6 4 4 42.233 84.465 1.14601 38.9 3.4 3.1 6.1
95 2 8 5 42.572 85.143 1.13861 20.2 1.8 1.6 6.1
96 4 8 4 43.093 86.186 1.12748 51.1 4.5 4.1 6.1
97 1 10 4 43.737 87.475 1.11416 12.2 1.1 1.0 6.2
98 4 4 6 43.844 87.687 1.11201 33.0 2.9 2.7 6.2
99 5 7 4 43.966 87.932 1.10954 25.4 2.2 2.0 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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