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
1
Ca(2)[Mn(0.52)Mg(0.48)](2)[B(4)O(7)(OH)(2)](OH)(4)
Orthorhombic P mcb Z = 4
R =0.074
28 .12 .1990
Ref.Str.:
Yamnova N.A., Simonov M.A., Belov N.V. (1975)
* Dokl. Akad. Nauk SSSR, 221, 1326-1329
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.29 alpha = 90.0
b = 13.341 beta = 90.0
c = 9.009 gamma = 90.0
Unit cell volume (cub. angs.) = 996.37
Molar volume ( cub.cm/mol.) = 150.04
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2449 0.1336 0.2312 0.89 Ca = 1.00
2 0.0 0.0 0.0 0.37 Mn = 0.52, Mg = 0.48
3 0.0 0.0 0.5 0.8 Mn = 0.52, Mg = 0.48
4 0.0 0.2526 0.9782 0.56 Mn = 0.52, Mg = 0.48
5 0.5 0.199 0.71 0.84 B = 1.00
6 0.291 0.12 0.872 1.26 B = 1.00
7 0.5 0.025 0.73 0.91 B = 1.00
8 0.0 0.0266 0.234 0.97 OH = 1.00
9 0.0 0.2381 0.228 1.26 OH = 1.00
10 0.1656 0.1263 0.9717 1.06 O = 1.00
11 0.1642 0.1243 0.486 1.81 OH = 1.00
12 0.3542 0.0289 0.8286 1.09 O = 1.00
13 0.3549 0.206 0.8089 1.24 O = 1.00
14 0.5 0.2124 0.113 1.19 OH = 1.00
15 0.5 0.0747 0.341 0.99 OH = 1.00
16 0.5 0.1068 0.625 0.91 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2449 0.1336 0.2312
2 2 0.0 0.0 0.0
3 3 0.0 0.0 0.5
4 4 0.0 0.2526 0.9782
5 5 0.5 0.199 0.71
6 6 0.291 0.12 0.872
7 7 0.5 0.025 0.73
8 8 0.0 0.0266 0.234
9 9 0.0 0.2381 0.228
10 10 0.1656 0.1263 0.9717
11 11 0.1642 0.1243 0.486
12 12 0.3542 0.0289 0.8286
13 13 0.3549 0.206 0.8089
14 14 0.5 0.2124 0.113
15 15 0.5 0.0747 0.341
16 16 0.5 0.1068 0.625
17 1 0.7551 0.8664 0.7688
18 4 0.0 0.7474 0.0218
19 5 0.5 0.801 0.29
20 6 0.709 0.88 0.128
21 7 0.5 0.975 0.27
22 8 0.0 0.9734 0.766
23 9 0.0 0.7619 0.772
24 10 0.8344 0.8737 0.0283
25 11 0.8358 0.8757 0.514
26 12 0.6458 0.9711 0.1714
27 13 0.6451 0.794 0.1911
28 14 0.5 0.7876 0.887
29 15 0.5 0.9253 0.659
30 16 0.5 0.8932 0.375
31 1 0.2449 0.3664 0.7312
32 2 0.0 0.5 0.5
33 3 0.0 0.5 0.0
34 4 0.0 0.2474 0.4782
35 5 0.5 0.301 0.21
36 6 0.291 0.38 0.372
37 7 0.5 0.475 0.23
38 8 0.0 0.4734 0.734
39 9 0.0 0.2619 0.728
40 10 0.1656 0.3737 0.4717
41 11 0.1642 0.3757 0.986
42 12 0.3542 0.4711 0.3286
43 13 0.3549 0.294 0.3089
44 14 0.5 0.2876 0.613
45 15 0.5 0.4253 0.841
46 16 0.5 0.3932 0.125
47 1 0.7551 0.6336 0.2688
48 4 0.0 0.7526 0.5218
49 5 0.5 0.699 0.79
50 6 0.709 0.62 0.628
51 7 0.5 0.525 0.77
52 8 0.0 0.5266 0.266
53 9 0.0 0.7381 0.272
54 10 0.8344 0.6263 0.5283
55 11 0.8358 0.6243 0.014
56 12 0.6458 0.5289 0.6714
57 13 0.6451 0.706 0.6911
58 14 0.5 0.7124 0.387
59 15 0.5 0.5747 0.159
60 16 0.5 0.6068 0.875
61 1 0.7551 0.1336 0.2312
62 6 0.709 0.12 0.872
63 10 0.8344 0.1263 0.9717
64 11 0.8358 0.1243 0.486
65 12 0.6458 0.0289 0.8286
66 13 0.6451 0.206 0.8089
67 1 0.2449 0.8664 0.7688
68 6 0.291 0.88 0.128
69 10 0.1656 0.8737 0.0283
70 11 0.1642 0.8757 0.514
71 12 0.3542 0.9711 0.1714
72 13 0.3549 0.794 0.1911
73 1 0.7551 0.3664 0.7312
74 6 0.709 0.38 0.372
75 10 0.8344 0.3737 0.4717
76 11 0.8358 0.3757 0.986
77 12 0.6458 0.4711 0.3286
78 13 0.6451 0.294 0.3089
79 1 0.2449 0.6336 0.2688
80 6 0.291 0.62 0.628
81 10 0.1656 0.6263 0.5283
82 11 0.1642 0.6243 0.014
83 12 0.3542 0.5289 0.6714
84 13 0.3549 0.706 0.6911
X-ray density (g/cm cub.) = 2.78
MU (1/cm) = 218.152 Mass attenuation coefficient (cm**2/g) = 78.331
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.928 8
2.482 8
2.463 9
2.4305 10
2.3942 11
2.5906 14
2.4634 15
2.4291 13
2.4106 12
2 Mn ,Mg 2.772 6
2.1378 8
2.1883 10
2.1378 8
2.1883 10
2.1883 10
2.1883 10
3 Mn ,Mg 2.772 6
2.4225 8
2.1491 11
2.4225 8
2.1491 11
2.1491 11
2.1491 11
4 Mn ,Mg 2.772 6
2.2587 9
2.1742 10
2.2575 9
2.1342 11
2.1742 10
2.1342 11
5 B 1.92 4
1.4998 13
1.4489 16
1.47 14
1.4998 13
6 B 1.92 3
1.3764 10
1.38 12
1.3857 13
7 B 1.92 4
1.5009 12
1.4442 16
1.4759 15
1.5009 12
8 OH 3.36 9
2.8221 9
3.0394 10
2.9506 11
3.0789 10
3.0803 12
3.0394 10
2.9506 11
3.0789 10
3.0803 12
9 OH 3.36 11
2.8221 8
3.0726 10
3.092 11
3.1587 10
3.1585 11
3.1214 13
3.0726 10
3.092 11
3.1587 10
3.1585 11
3.1214 13
10 O 3.312 9
3.0394 8
3.0726 9
2.4073 12
2.3967 13
3.2596 14
3.0789 8
3.1587 9
2.7456 10
3.1573 12
11 OH 3.36 9
2.9506 8
3.092 9
3.1454 15
3.0614 16
3.1585 9
3.3298 10
3.1891 13
2.7224 11
3.3262 11
12 O 3.312 8
2.4073 10
2.3694 13
2.4301 16
3.0803 8
2.3887 15
2.4174 12
3.1573 10
3.1831 12
13 O 3.312 9
2.3967 10
2.3694 12
2.9933 14
2.4379 16
3.1214 9
3.1891 11
2.3972 14
3.1765 15
2.4058 13
14 OH 3.36 8
3.2596 10
2.9933 13
2.7557 15
2.3972 13
2.4145 16
3.2596 10
2.9933 13
2.3972 13
15 OH 3.36 9
3.1454 11
2.7557 14
2.5941 16
2.3887 12
2.4407 16
3.1765 13
3.1454 11
2.3887 12
3.1765 13
16 O 3.312 9
3.0614 11
2.4301 12
2.4379 13
2.5941 15
2.4407 15
2.4145 14
3.0614 11
2.4301 12
2.4379 13
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 1 0 0 5.331 10.663 0.06 228.68 2 56.7 148.2
2 0 1 1 5.922 11.844 0.067 184.93 4 36.1 97.0
3 0 2 0 6.631 13.262 0.075 147.02 2 9.9 2.9
4 1 1 1 7.981 15.962 0.09 100.8 8 6.0 3.0
5 0 2 1 8.261 16.522 0.093 93.93 4 72.6 199.6
6 1 2 0 8.524 17.047 0.096 88.1 4 5.6 1.1
7 0 0 2 9.846 19.692 0.111 65.48 2 62.9 52.2
8 1 2 1 9.852 19.705 0.111 65.39 8 54.3 155.4
9 0 1 2 10.398 20.796 0.117 58.49 4 30.6 22.1
10 2 0 0 10.71 21.419 0.121 55.01 2 53.9 32.2
11 0 3 1 11.138 22.275 0.125 50.7 4 20.7 8.8
12 1 0 2 11.222 22.445 0.126 49.91 4 196.1 773.4
13 1 1 2 11.712 23.425 0.132 45.65 8 25.3 23.6
14 0 2 2 11.908 23.816 0.134 44.09 4 9.0 1.4
15 2 1 1 12.272 24.544 0.138 41.4 8 53.5 95.6
16 1 3 1 12.378 24.755 0.139 40.66 8 8.5 2.4
17 2 2 0 12.638 25.276 0.142 38.92 4 10.2 1.6
18 1 2 2 13.079 26.158 0.147 36.2 8 12.0 4.2
19 0 4 0 13.353 26.706 0.15 34.65 2 26.7 5.0
20 2 2 1 13.586 27.172 0.152 33.4 8 87.2 204.7
21 0 3 2 14.087 28.175 0.158 30.93 4 28.0 9.7
22 0 4 1 14.257 28.514 0.16 30.15 4 5.1 0.3
23 1 4 0 14.415 28.83 0.162 29.45 4 78.3 72.8
24 2 0 2 14.628 29.256 0.164 28.54 4 129.0 191.3
25 2 1 2 15.014 30.028 0.168 26.99 8 37.2 30.0
26 1 3 2 15.102 30.204 0.169 26.66 8 26.9 15.6
27 0 1 3 15.243 30.487 0.171 26.13 4 72.3 55.1
28 1 4 1 15.261 30.522 0.171 26.06 8 3.3 0.2
29 2 3 1 15.548 31.096 0.174 25.04 8 18.9 7.2
30 2 2 2 16.122 32.245 0.18 23.16 8 22.0 9.1
31 3 0 0 16.186 32.371 0.181 22.96 2 64.7 19.4
32 1 1 3 16.192 32.384 0.181 22.94 8 10.1 1.9
33 0 2 3 16.338 32.675 0.183 22.5 4 130.1 153.4
34 0 4 2 16.7 33.401 0.187 21.45 4 56.3 27.4
35 1 2 3 17.232 34.465 0.192 20.04 8 25.5 10.5
36 2 4 0 17.243 34.487 0.192 20.01 4 306.4 756.9
37 3 1 1 17.291 34.583 0.193 19.89 8 53.1 45.2
38 0 5 1 17.523 35.045 0.195 19.32 4 45.6 16.2
39 3 2 0 17.561 35.122 0.196 19.23 4 5.4 0.2
40 1 4 2 17.579 35.157 0.196 19.19 8 57.2 50.7
41 2 3 2 17.832 35.665 0.199 18.6 8 0.8 0.0
42 2 4 1 17.97 35.94 0.2 18.28 8 32.6 15.7
43 0 3 3 18.03 36.06 0.201 18.15 4 35.5 9.2
44 3 2 1 18.276 36.553 0.204 17.62 8 35.0 17.4
45 1 5 1 18.367 36.733 0.205 17.43 8 49.1 33.9
46 2 1 3 18.782 37.564 0.209 16.59 8 75.6 76.4
47 1 3 3 18.854 37.708 0.21 16.45 8 1.8 0.0
48 3 0 2 19.088 38.176 0.212 16.01 4 30.5 6.0
49 3 1 2 19.395 38.79 0.216 15.45 8 63.0 49.4
50 0 5 2 19.605 39.21 0.218 15.09 4 42.2 10.8
51 2 2 3 19.703 39.405 0.219 14.92 8 109.3 143.6
52 3 3 1 19.824 39.649 0.22 14.72 8 11.1 1.5
53 0 0 4 19.999 39.998 0.222 14.44 2 225.0 147.3
54 2 4 2 20.012 40.024 0.222 14.42 8 3.8 0.2
55 0 4 3 20.191 40.383 0.224 14.13 4 19.0 2.1
56 0 6 0 20.269 40.538 0.225 14.01 2 20.8 1.2
57 3 2 2 20.292 40.585 0.225 13.98 8 14.8 2.5
58 0 1 4 20.294 40.589 0.225 13.97 4 53.1 15.9
59 1 5 2 20.375 40.75 0.226 13.85 8 25.3 7.1
60 2 5 1 20.721 41.442 0.23 13.34 8 38.9 16.3
61 1 0 4 20.757 41.514 0.23 13.29 4 215.6 248.9
62 0 6 1 20.905 41.81 0.232 13.08 4 111.1 65.0
63 1 4 3 20.943 41.887 0.232 13.03 8 19.9 4.1
64 1 6 0 21.019 42.037 0.233 12.92 4 8.0 0.3
65 1 1 4 21.043 42.087 0.233 12.89 8 83.5 72.4
66 0 2 4 21.16 42.32 0.234 12.73 4 12.2 0.8
67 2 3 3 21.162 42.325 0.234 12.73 8 33.5 11.5
68 3 4 0 21.223 42.446 0.235 12.64 4 251.7 322.7
69 1 6 1 21.637 43.274 0.239 12.11 8 47.0 21.6
70 3 3 2 21.719 43.439 0.24 12.0 8 29.2 8.2
71 4 0 0 21.818 43.637 0.241 11.88 2 218.5 114.3
72 3 4 1 21.836 43.672 0.241 11.86 8 12.3 1.4
73 1 2 4 21.885 43.769 0.242 11.8 8 10.3 1.0
74 3 1 3 22.531 45.062 0.249 11.05 8 78.6 55.1
75 0 3 4 22.542 45.085 0.249 11.04 4 14.6 0.9
76 2 5 2 22.554 45.109 0.249 11.03 8 0.9 0.0
77 4 1 1 22.688 45.377 0.25 10.88 8 20.7 3.8
78 0 5 3 22.717 45.434 0.251 10.85 4 58.7 15.1
79 0 6 2 22.727 45.453 0.251 10.84 4 34.7 5.3
80 4 2 0 22.904 45.809 0.253 10.65 4 13.0 0.7
81 2 0 4 22.907 45.813 0.253 10.65 4 13.1 0.7
82 2 4 3 23.079 46.158 0.254 10.47 8 40.1 13.6
83 2 6 0 23.149 46.298 0.255 10.4 4 63.8 17.0
84 2 1 4 23.172 46.344 0.255 10.37 8 3.1 0.1
85 1 3 4 23.233 46.465 0.256 10.31 8 10.1 0.8
86 3 2 3 23.329 46.659 0.257 10.22 8 9.1 0.7
87 1 5 3 23.403 46.807 0.258 10.14 8 47.9 18.7
88 1 6 2 23.413 46.825 0.258 10.13 8 14.6 1.7
89 4 2 1 23.483 46.966 0.259 10.06 8 123.0 122.8
90 3 4 2 23.6 47.2 0.26 9.95 8 103.1 85.2
91 2 6 1 23.723 47.446 0.261 9.84 8 129.9 133.8
92 2 2 4 23.954 47.908 0.264 9.62 8 29.2 6.6
93 4 0 2 24.149 48.299 0.266 9.45 4 49.8 9.4
94 3 5 1 24.224 48.449 0.266 9.38 8 14.7 1.6
95 0 4 4 24.373 48.747 0.268 9.25 4 3.1 0.0
96 0 7 1 24.4 48.801 0.268 9.23 4 16.0 1.0
97 4 1 2 24.404 48.809 0.268 9.22 8 57.4 24.5
98 3 3 3 24.616 49.232 0.27 9.04 8 5.6 0.2
99 4 3 1 24.763 49.526 0.272 8.92 8 16.1 1.9
100 1 4 4 25.025 50.05 0.275 8.71 8 66.6 31.2
101 1 7 1 25.051 50.103 0.275 8.69 8 11.9 1.0
102 4 2 2 25.157 50.314 0.276 8.61 8 0.6 0.0
103 2 3 4 25.216 50.432 0.277 8.56 8 76.8 40.7
104 2 5 3 25.377 50.753 0.278 8.44 8 44.4 13.4
105 2 6 2 25.385 50.771 0.278 8.43 8 37.8 9.7
106 0 6 3 25.534 51.069 0.28 8.32 4 135.4 61.5
107 0 1 5 25.556 51.111 0.28 8.3 4 54.3 9.9
108 3 5 2 25.863 51.725 0.283 8.08 8 26.3 4.5
109 4 4 0 25.949 51.899 0.284 8.02 4 20.1 1.3
110 0 7 2 26.031 52.061 0.285 7.96 4 15.0 0.7
111 1 6 3 26.165 52.329 0.286 7.87 8 56.6 20.3
112 3 0 4 26.181 52.363 0.286 7.86 4 64.0 13.0
113 1 1 5 26.186 52.371 0.286 7.86 8 3.0 0.1
114 0 2 5 26.284 52.569 0.287 7.79 4 88.7 24.7
115 3 4 3 26.338 52.675 0.288 7.75 8 4.6 0.1
116 4 3 2 26.377 52.754 0.288 7.73 8 9.0 0.5
117 3 6 0 26.401 52.802 0.289 7.71 4 25.5 2.0
118 3 1 4 26.422 52.843 0.289 7.7 8 21.4 2.8
119 4 4 1 26.478 52.956 0.289 7.66 8 19.9 2.4
120 0 5 4 26.587 53.174 0.291 7.59 4 58.2 10.3
121 1 7 2 26.653 53.305 0.291 7.55 8 41.7 10.6
122 1 2 5 26.902 53.805 0.294 7.39 8 0.3 0.0
123 2 4 4 26.91 53.82 0.294 7.38 8 214.1 272.7
124 3 6 1 26.923 53.846 0.294 7.37 8 25.2 3.8
125 2 7 1 26.935 53.87 0.294 7.37 8 11.3 0.8
126 4 1 3 27.082 54.164 0.296 7.28 8 28.6 4.8
127 3 2 4 27.134 54.268 0.296 7.24 8 11.3 0.7
128 1 5 4 27.2 54.401 0.297 7.2 8 47.2 12.9
129 0 3 5 27.469 54.937 0.299 7.05 4 23.3 1.5
130 0 8 0 27.51 55.02 0.3 7.02 2 231.1 75.6
131 5 0 0 27.683 55.367 0.302 6.92 2 93.4 12.2
132 4 2 3 27.783 55.565 0.303 6.87 8 93.6 48.5
133 2 6 3 27.996 55.991 0.305 6.75 8 78.6 33.6
134 2 1 5 28.016 56.031 0.305 6.74 8 28.5 4.4
135 0 8 1 28.018 56.036 0.305 6.74 4 29.5 2.4
136 4 4 2 28.022 56.043 0.305 6.73 8 188.4 192.6
137 1 3 5 28.069 56.137 0.305 6.71 8 3.8 0.1
138 1 8 0 28.109 56.219 0.306 6.69 4 150.3 60.8
139 3 3 4 28.294 56.588 0.308 6.59 8 35.3 6.6
140 5 1 1 28.418 56.836 0.309 6.52 8 13.7 1.0
141 3 5 3 28.442 56.885 0.309 6.51 8 23.8 3.0
142 3 6 2 28.45 56.901 0.309 6.51 8 0.7 0.0
143 2 7 2 28.462 56.924 0.309 6.5 8 3.8 0.1
144 4 5 1 28.576 57.151 0.31 6.44 8 3.4 0.1
145 0 7 3 28.6 57.2 0.311 6.43 4 20.1 1.0
146 5 2 0 28.602 57.204 0.311 6.43 4 3.2 0.0
147 1 8 1 28.61 57.221 0.311 6.42 8 18.7 1.8
148 2 2 5 28.701 57.402 0.312 6.38 8 78.4 31.6
149 4 3 3 28.925 57.85 0.314 6.27 8 33.1 5.5
150 2 5 4 28.987 57.973 0.315 6.24 8 75.9 29.0
151 0 4 5 29.072 58.143 0.315 6.2 4 7.7 0.1
152 5 2 1 29.097 58.195 0.316 6.18 8 27.5 3.8
153 0 6 4 29.131 58.262 0.316 6.17 4 50.1 6.2
154 1 7 3 29.184 58.369 0.317 6.14 8 7.4 0.3
155 0 8 2 29.508 59.015 0.32 5.99 4 62.0 9.3
156 1 4 5 29.65 59.301 0.321 5.93 8 3.0 0.0
157 5 0 2 29.673 59.347 0.321 5.92 4 77.9 14.5
158 1 6 4 29.709 59.418 0.322 5.9 8 18.4 1.6
159 2 3 5 29.821 59.642 0.323 5.85 8 44.5 9.3
160 2 8 0 29.86 59.72 0.323 5.83 4 22.7 1.2
161 3 4 4 29.868 59.736 0.323 5.83 8 139.5 91.5
162 3 7 1 29.891 59.783 0.323 5.82 8 1.9 0.0
163 5 1 2 29.895 59.79 0.324 5.82 8 23.4 2.6
164 4 5 2 30.048 60.095 0.325 5.75 8 11.4 0.6
165 1 8 2 30.081 60.163 0.325 5.74 8 78.1 28.2
166 5 3 1 30.208 60.416 0.327 5.69 8 9.8 0.4
167 4 0 4 30.337 60.673 0.328 5.63 4 125.3 35.6
168 2 8 1 30.343 60.686 0.328 5.63 8 40.2 7.3
169 4 4 3 30.479 60.957 0.329 5.57 8 5.3 0.1
170 4 6 0 30.536 61.072 0.33 5.55 4 9.8 0.2
171 5 2 2 30.554 61.107 0.33 5.54 8 10.0 0.4
172 4 1 4 30.555 61.11 0.33 5.54 8 70.4 22.1
173 0 0 6 30.864 61.729 0.333 5.42 2 65.6 4.7
174 3 6 3 30.886 61.772 0.333 5.41 8 38.7 6.5
175 2 7 3 30.897 61.794 0.333 5.41 8 24.0 2.5
176 3 1 5 30.905 61.809 0.333 5.4 8 30.0 3.9
177 4 6 1 31.013 62.025 0.334 5.36 8 9.2 0.4
178 0 5 5 31.054 62.109 0.335 5.35 4 2.0 0.0
179 0 1 6 31.081 62.162 0.335 5.34 4 27.3 1.6
180 4 2 4 31.206 62.411 0.336 5.29 8 14.0 0.8
181 5 4 0 31.253 62.507 0.337 5.27 4 86.1 15.7
182 3 7 2 31.325 62.651 0.337 5.25 8 8.3 0.3
183 2 4 5 31.347 62.695 0.338 5.24 8 8.7 0.3
184 2 6 4 31.404 62.808 0.338 5.22 8 1.7 0.0
185 1 0 6 31.423 62.846 0.338 5.21 4 36.6 2.8
186 3 2 5 31.551 63.102 0.34 5.16 8 32.7 4.4
187 1 5 5 31.611 63.222 0.34 5.14 8 11.4 0.5
188 5 3 2 31.633 63.267 0.34 5.13 8 26.5 2.9
189 1 1 6 31.637 63.275 0.34 5.13 8 9.5 0.4
190 5 4 1 31.723 63.447 0.341 5.1 8 1.7 0.0
191 0 2 6 31.725 63.45 0.341 5.1 4 36.4 2.7
192 2 8 2 31.765 63.529 0.342 5.09 8 118.7 57.7
193 0 9 1 31.778 63.556 0.342 5.08 4 12.8 0.3
194 3 5 4 31.821 63.642 0.342 5.07 8 37.0 5.6
195 0 8 3 31.894 63.787 0.343 5.04 4 45.5 4.2
196 0 7 4 31.968 63.936 0.344 5.02 4 76.1 11.7
197 5 1 3 32.264 64.528 0.347 4.92 8 24.5 2.4
198 4 3 4 32.273 64.546 0.347 4.91 8 25.7 2.6
199 1 2 6 32.275 64.551 0.347 4.91 8 3.0 0.0
200 1 9 1 32.328 64.655 0.347 4.9 8 10.6 0.4
201 4 5 3 32.41 64.82 0.348 4.87 8 24.6 2.4
202 4 6 2 32.418 64.835 0.348 4.87 8 13.2 0.7
203 1 8 3 32.442 64.885 0.348 4.86 8 4.9 0.1
204 1 7 4 32.516 65.033 0.349 4.84 8 19.2 1.4
205 3 3 5 32.612 65.224 0.35 4.8 8 1.8 0.0
206 3 8 0 32.649 65.299 0.35 4.79 4 44.7 3.9
207 0 3 6 32.783 65.566 0.351 4.75 4 49.2 4.6
208 5 2 3 32.895 65.791 0.353 4.72 8 13.4 0.7
209 2 0 6 33.068 66.135 0.354 4.66 4 82.1 12.7
210 3 8 1 33.109 66.217 0.355 4.65 8 9.2 0.3
211 5 4 2 33.112 66.224 0.355 4.65 8 48.7 8.9
212 0 9 2 33.165 66.33 0.355 4.64 4 11.3 0.2
213 2 5 5 33.251 66.501 0.356 4.61 8 13.8 0.7
214 2 1 6 33.276 66.552 0.356 4.6 8 57.3 12.2
215 1 3 6 33.324 66.648 0.357 4.59 8 5.2 0.1
216 0 6 5 33.384 66.768 0.357 4.57 4 43.3 3.5
217 5 5 1 33.615 67.231 0.359 4.5 8 12.6 0.6
218 3 7 3 33.637 67.275 0.36 4.5 8 23.6 2.0
219 1 9 2 33.703 67.406 0.36 4.48 8 2.7 0.0
220 4 4 4 33.737 67.473 0.361 4.47 8 67.5 16.4
221 4 7 1 33.759 67.517 0.361 4.46 8 17.2 1.1
222 6 0 0 33.883 67.766 0.362 4.43 2 151.3 20.4
223 2 2 6 33.898 67.796 0.362 4.43 8 8.9 0.3
224 1 6 5 33.92 67.84 0.362 4.42 8 27.1 2.6
225 5 3 3 33.934 67.869 0.362 4.42 8 3.1 0.0
226 2 9 1 33.949 67.898 0.363 4.41 8 11.8 0.5
227 2 8 3 34.061 68.122 0.364 4.38 8 22.4 1.8
228 3 4 5 34.068 68.136 0.364 4.38 8 14.2 0.7
229 3 6 4 34.122 68.245 0.364 4.37 8 23.0 1.9
230 2 7 4 34.133 68.266 0.364 4.36 8 14.3 0.7
231 0 4 6 34.236 68.471 0.365 4.34 4 87.3 13.3
232 3 8 2 34.468 68.936 0.367 4.28 8 27.6 2.6
233 6 1 1 34.539 69.078 0.368 4.26 8 5.3 0.1
234 4 6 3 34.692 69.383 0.369 4.22 8 69.8 16.6
235 6 2 0 34.704 69.408 0.37 4.22 4 9.9 0.2
236 4 1 5 34.709 69.419 0.37 4.22 8 12.0 0.5
237 1 4 6 34.765 69.531 0.37 4.2 8 31.6 3.4
238 2 3 6 34.922 69.844 0.372 4.16 8 7.0 0.2
239 5 5 2 34.965 69.931 0.372 4.15 8 8.4 0.2
240 0 8 4 35.081 70.162 0.373 4.13 4 163.7 44.5
241 4 7 2 35.106 70.212 0.373 4.12 8 18.0 1.1
242 6 2 1 35.15 70.3 0.374 4.11 8 83.3 23.0
243 5 0 4 35.232 70.465 0.374 4.09 4 147.2 35.7
244 0 10 0 35.266 70.533 0.375 4.08 2 4.8 0.0
245 2 9 2 35.293 70.586 0.375 4.08 8 11.8 0.5
246 4 2 5 35.319 70.638 0.375 4.07 8 61.2 12.3
247 5 4 3 35.364 70.728 0.376 4.06 8 8.2 0.2
248 0 9 3 35.415 70.831 0.376 4.05 4 35.2 2.0
249 5 6 0 35.417 70.834 0.376 4.05 4 18.2 0.5
250 5 1 4 35.435 70.869 0.376 4.04 8 35.4 4.1
251 2 6 5 35.506 71.011 0.377 4.03 8 50.1 8.1
252 4 5 4 35.574 71.149 0.378 4.01 8 19.6 1.2
253 1 8 4 35.605 71.211 0.378 4.01 8 101.3 33.1
254 6 0 2 35.671 71.343 0.379 3.99 4 127.5 26.2
255 0 10 1 35.709 71.419 0.379 3.98 4 31.8 1.6
256 3 0 6 35.722 71.443 0.379 3.98 4 54.6 4.8
257 1 10 0 35.789 71.579 0.38 3.96 4 44.4 3.1
258 5 6 1 35.859 71.719 0.38 3.95 8 14.3 0.7
259 6 1 2 35.873 71.746 0.38 3.95 8 22.9 1.7
260 3 5 5 35.898 71.797 0.381 3.94 8 57.3 10.4
261 3 1 6 35.923 71.846 0.381 3.94 8 2.2 0.0
262 1 9 3 35.937 71.875 0.381 3.93 8 1.3 0.0
263 0 7 5 36.037 72.075 0.382 3.91 4 35.0 1.9
264 5 2 4 36.039 72.078 0.382 3.91 8 0.6 0.0
265 0 5 6 36.062 72.124 0.382 3.91 4 44.1 3.1
266 6 3 1 36.158 72.316 0.383 3.89 8 8.5 0.2
267 1 10 1 36.23 72.459 0.384 3.87 8 51.0 8.1
268 4 3 5 36.325 72.651 0.385 3.85 8 18.7 1.1
269 2 4 6 36.334 72.668 0.385 3.85 8 7.5 0.2
270 4 8 0 36.361 72.721 0.385 3.84 4 132.4 27.2
271 6 2 2 36.474 72.948 0.386 3.82 8 10.6 0.3
272 3 2 6 36.524 73.048 0.386 3.81 8 11.3 0.4
273 1 7 5 36.556 73.111 0.387 3.81 8 2.1 0.0
274 3 9 1 36.573 73.147 0.387 3.8 8 3.8 0.0
275 1 5 6 36.58 73.16 0.387 3.8 8 3.6 0.0
276 3 8 3 36.682 73.363 0.388 3.78 8 6.5 0.1
277 3 7 4 36.752 73.503 0.388 3.77 8 34.5 3.6
278 4 8 1 36.798 73.597 0.389 3.76 8 29.3 2.6
279 0 1 7 36.962 73.924 0.39 3.73 4 44.4 3.0
280 0 10 2 37.025 74.051 0.391 3.72 4 29.3 1.3
281 5 3 4 37.037 74.075 0.391 3.71 8 3.6 0.0
282 6 4 0 37.117 74.234 0.392 3.7 4 135.2 27.2
283 2 8 4 37.159 74.318 0.392 3.69 8 13.0 0.5
284 5 5 3 37.166 74.333 0.392 3.69 8 0.1 0.0
285 5 6 2 37.173 74.347 0.392 3.69 8 1.6 0.0
286 4 7 3 37.303 74.607 0.393 3.66 8 36.2 3.9
287 2 10 0 37.34 74.681 0.394 3.66 4 45.1 3.0
288 6 3 2 37.468 74.936 0.395 3.63 8 17.3 0.9
289 1 1 7 37.476 74.951 0.395 3.63 8 8.4 0.2
290 2 9 3 37.486 74.972 0.395 3.63 8 9.3 0.3
291 3 3 6 37.517 75.034 0.395 3.63 8 53.9 8.5
292 1 10 2 37.539 75.077 0.396 3.62 8 21.6 1.4
293 6 4 1 37.551 75.103 0.396 3.62 8 23.1 1.6
294 0 2 7 37.557 75.113 0.396 3.62 4 59.6 5.2
295 4 4 5 37.716 75.432 0.397 3.59 8 19.3 1.1
296 4 6 4 37.768 75.536 0.398 3.58 8 45.4 5.9
297 2 10 1 37.774 75.547 0.398 3.58 8 40.4 4.7
298 3 9 2 37.878 75.755 0.399 3.56 8 8.0 0.2
299 6 1 3 38.053 76.106 0.4 3.54 8 12.9 0.5
300 1 2 7 38.067 76.135 0.4 3.53 8 9.3 0.2
301 3 6 5 38.085 76.169 0.4 3.53 8 41.1 4.8
302 2 7 5 38.095 76.19 0.4 3.53 8 10.2 0.3
303 4 8 2 38.1 76.2 0.401 3.53 8 24.1 1.6
304 2 5 6 38.119 76.238 0.401 3.52 8 26.2 1.9
305 0 6 6 38.245 76.489 0.402 3.5 4 5.4 0.0
306 5 4 4 38.419 76.838 0.403 3.48 8 33.7 3.2
307 5 7 1 38.44 76.879 0.404 3.47 8 4.3 0.1
308 0 9 4 38.469 76.938 0.404 3.47 4 73.4 7.5
309 0 3 7 38.541 77.081 0.404 3.46 4 51.8 3.7
310 6 2 3 38.642 77.283 0.405 3.44 8 59.1 9.7
311 1 6 6 38.752 77.505 0.406 3.43 8 17.0 0.8
312 6 4 2 38.844 77.689 0.407 3.41 8 63.6 11.1
313 3 4 6 38.893 77.786 0.408 3.41 8 91.6 23.0
314 1 9 4 38.976 77.951 0.408 3.39 8 29.3 2.3
315 2 1 7 39.002 78.004 0.409 3.39 8 17.9 0.9
316 0 8 5 39.004 78.008 0.409 3.39 4 33.3 1.5
317 1 3 7 39.047 78.094 0.409 3.38 8 3.6 0.0
318 2 10 2 39.064 78.129 0.409 3.38 8 25.5 1.8
319 0 10 3 39.182 78.365 0.41 3.36 4 69.2 6.5
320 4 0 6 39.308 78.617 0.411 3.35 4 47.5 3.0
321 6 5 1 39.317 78.634 0.411 3.34 8 27.4 2.0
322 5 6 3 39.328 78.655 0.411 3.34 8 25.8 1.8
323 5 1 5 39.345 78.689 0.412 3.34 8 20.5 1.1
324 4 5 5 39.479 78.958 0.413 3.32 8 56.3 8.5
325 4 1 6 39.503 79.006 0.413 3.32 8 35.1 3.3
326 1 8 5 39.509 79.018 0.413 3.32 8 4.5 0.1
327 2 2 7 39.587 79.173 0.414 3.31 8 53.9 7.8
328 6 3 3 39.617 79.234 0.414 3.3 8 21.0 1.2
329 1 10 3 39.687 79.373 0.415 3.29 8 25.2 1.7
330 3 8 4 39.7 79.4 0.415 3.29 8 25.0 1.7
331 5 7 2 39.724 79.447 0.415 3.29 8 4.3 0.1
332 0 11 1 39.855 79.71 0.416 3.27 4 22.4 0.7
333 3 10 0 39.877 79.755 0.416 3.27 4 10.7 0.2
334 0 4 7 39.905 79.811 0.416 3.27 4 28.4 1.1
335 5 2 5 39.928 79.855 0.417 3.26 8 7.7 0.2
336 3 9 3 40.02 80.04 0.417 3.25 8 16.5 0.7
337 4 2 6 40.086 80.171 0.418 3.24 8 13.4 0.5
338 4 9 1 40.134 80.267 0.418 3.24 8 1.4 0.0
339 5 5 4 40.173 80.345 0.419 3.23 8 16.2 0.7
340 4 8 3 40.239 80.478 0.419 3.23 8 26.5 1.8
341 2 6 6 40.264 80.529 0.42 3.22 8 15.0 0.6
342 3 10 1 40.302 80.605 0.42 3.22 8 0.9 0.0
343 4 7 4 40.307 80.613 0.42 3.22 8 3.7 0.0
344 1 11 1 40.357 80.714 0.42 3.21 8 17.2 0.8
345 1 4 7 40.407 80.814 0.421 3.21 8 25.2 1.6
346 2 9 4 40.485 80.97 0.421 3.2 8 3.4 0.0
347 2 3 7 40.556 81.112 0.422 3.19 8 42.3 4.6
348 7 0 0 40.573 81.146 0.422 3.19 2 23.7 0.4
349 6 5 2 40.593 81.186 0.422 3.18 8 0.4 0.0
350 3 7 5 40.618 81.235 0.423 3.18 8 27.1 1.9
351 3 5 6 40.641 81.283 0.423 3.18 8 41.0 4.3
352 0 7 6 40.775 81.55 0.424 3.16 4 21.8 0.6
353 6 0 4 40.847 81.694 0.425 3.15 4 29.3 1.1
354 5 3 5 40.895 81.79 0.425 3.15 8 7.4 0.1
355 5 8 0 40.929 81.859 0.425 3.15 4 97.5 12.1
356 6 4 3 40.973 81.945 0.426 3.14 8 29.8 2.2
357 2 8 5 41.014 82.027 0.426 3.14 8 21.7 1.2
358 6 6 0 41.023 82.047 0.426 3.14 4 27.1 0.9
359 6 1 4 41.04 82.08 0.426 3.13 8 1.7 0.0
360 4 3 6 41.052 82.104 0.426 3.13 8 49.8 6.3
361 0 11 2 41.127 82.255 0.427 3.12 4 2.3 0.0
362 7 1 1 41.189 82.379 0.427 3.12 8 4.9 0.1
363 2 10 3 41.19 82.379 0.427 3.12 8 53.3 7.1
364 1 7 6 41.274 82.549 0.428 3.11 8 23.0 1.3
365 7 2 0 41.345 82.69 0.429 3.1 4 0.3 0.0
366 5 8 1 41.352 82.704 0.429 3.1 8 13.0 0.4
367 4 9 2 41.404 82.808 0.429 3.1 8 14.7 0.5
368 6 6 1 41.446 82.892 0.43 3.09 8 56.4 7.9
369 3 1 7 41.511 83.021 0.43 3.09 8 14.8 0.5
370 3 10 2 41.572 83.144 0.431 3.08 8 1.1 0.0
371 4 6 5 41.606 83.213 0.431 3.08 8 78.6 15.3
372 6 2 4 41.618 83.236 0.431 3.07 8 9.7 0.2
373 1 11 2 41.626 83.252 0.431 3.07 8 3.6 0.0
374 0 5 7 41.644 83.287 0.431 3.07 4 31.8 1.3
375 7 2 1 41.767 83.533 0.432 3.06 8 1.0 0.0
376 5 7 3 41.841 83.683 0.433 3.05 8 15.2 0.6
377 2 11 1 41.855 83.71 0.433 3.05 8 9.7 0.2
378 2 4 7 41.905 83.81 0.434 3.05 8 3.3 0.0
379 3 2 7 42.087 84.174 0.435 3.03 8 6.3 0.1
380 1 5 7 42.141 84.282 0.436 3.03 8 20.1 1.0
381 0 10 4 42.15 84.299 0.436 3.02 4 42.6 2.2
382 5 4 5 42.242 84.484 0.436 3.02 8 3.4 0.0
383 7 0 2 42.262 84.524 0.437 3.01 4 112.6 15.4
384 0 9 5 42.291 84.582 0.437 3.01 4 11.6 0.2
385 5 6 4 42.293 84.585 0.437 3.01 8 13.4 0.4
386 4 4 6 42.398 84.796 0.438 3.0 8 76.7 14.2
387 7 1 2 42.454 84.908 0.438 3.0 8 18.1 0.8
388 6 3 4 42.578 85.156 0.439 2.99 8 28.2 1.9
389 5 8 2 42.616 85.231 0.44 2.98 8 55.1 7.3
390 1 10 4 42.646 85.293 0.44 2.98 8 7.7 0.1
391 6 5 3 42.702 85.405 0.44 2.98 8 44.5 4.8
392 6 6 2 42.709 85.418 0.44 2.98 8 18.2 0.8
393 7 3 1 42.726 85.452 0.44 2.98 8 0.9 0.0
394 3 6 6 42.757 85.514 0.441 2.97 8 31.0 2.3
395 2 7 6 42.767 85.533 0.441 2.97 8 55.2 7.3
396 1 9 5 42.787 85.575 0.441 2.97 8 3.0 0.0
397 3 9 4 42.975 85.951 0.442 2.96 8 0.1 0.0
398 7 2 2 43.029 86.057 0.443 2.95 8 2.0 0.0
399 3 3 7 43.046 86.091 0.443 2.95 8 2.3 0.0
400 2 11 2 43.116 86.233 0.444 2.95 8 49.4 5.8
401 0 0 8 43.158 86.315 0.444 2.94 2 103.6 6.4
402 4 8 4 43.192 86.383 0.444 2.94 8 98.9 23.1
403 0 11 3 43.232 86.464 0.445 2.94 4 51.5 3.1
404 0 1 8 43.349 86.698 0.446 2.93 4 108.1 13.8
405 4 10 0 43.366 86.733 0.446 2.93 4 27.3 0.9
406 3 8 5 43.499 86.998 0.447 2.92 8 8.2 0.2
407 4 9 3 43.507 87.014 0.447 2.92 8 7.5 0.1
408 2 5 7 43.629 87.259 0.448 2.91 8 3.3 0.0
409 7 4 0 43.646 87.292 0.448 2.91 4 42.4 2.1
410 1 0 8 43.653 87.306 0.448 2.91 4 63.2 4.7
411 0 8 6 43.655 87.31 0.448 2.91 4 14.5 0.2
412 3 10 3 43.674 87.348 0.448 2.91 8 8.3 0.2
413 1 11 3 43.728 87.455 0.449 2.9 8 6.7 0.1
414 0 6 7 43.752 87.504 0.449 2.9 4 1.6 0.0
415 4 10 1 43.786 87.571 0.449 2.9 8 71.6 12.0
416 5 0 6 43.797 87.595 0.449 2.9 4 43.5 2.2
417 1 1 8 43.844 87.689 0.45 2.89 8 33.2 2.6
418 0 12 0 43.856 87.713 0.45 2.89 2 62.8 2.3
419 6 4 4 43.918 87.835 0.45 2.89 8 102.8 24.6
420 0 2 8 43.923 87.846 0.45 2.89 4 18.2 0.4
421 6 7 1 43.938 87.876 0.45 2.89 8 2.4 0.0
422 5 5 5 43.965 87.93 0.451 2.89 8 19.5 0.9
423 7 3 2 43.985 87.97 0.451 2.89 8 1.2 0.0
424 5 1 6 43.988 87.977 0.451 2.89 8 20.8 1.0
425 7 4 1 44.065 88.131 0.451 2.88 8 0.7 0.0
426 4 7 5 44.097 88.194 0.452 2.88 8 56.4 7.4
427 4 5 6 44.121 88.241 0.452 2.88 8 52.1 6.3
428 2 10 4 44.133 88.266 0.452 2.88 8 18.4 0.8
429 1 8 6 44.15 88.3 0.452 2.88 8 63.5 9.4
430 1 6 7 44.247 88.494 0.453 2.87 8 28.0 1.8
431 2 9 5 44.273 88.547 0.453 2.87 8 6.0 0.1
432 0 12 1 44.276 88.551 0.453 2.87 4 74.1 6.3
433 3 11 1 44.334 88.669 0.454 2.86 8 12.4 0.4
434 1 12 0 44.351 88.703 0.454 2.86 4 71.4 5.9
435 3 4 7 44.384 88.768 0.454 2.86 8 21.4 1.1
436 1 2 8 44.418 88.835 0.454 2.86 8 16.9 0.7
437 7 1 3 44.551 89.103 0.455 2.85 8 1.6 0.0
438 5 2 6 44.562 89.123 0.455 2.85 8 5.2 0.1
439 5 9 1 44.609 89.218 0.456 2.85 8 7.7 0.1
440 5 8 3 44.713 89.425 0.457 2.84 8 11.9 0.3
441 1 12 1 44.77 89.54 0.457 2.84 8 29.7 2.0
442 5 7 4 44.78 89.559 0.457 2.84 8 32.4 2.4
443 6 6 3 44.806 89.612 0.457 2.84 8 32.0 2.3
444 6 1 5 44.822 89.645 0.458 2.84 8 12.0 0.3
445 0 3 8 44.878 89.756 0.458 2.83 4 29.3 1.0
446 4 1 7 44.982 89.964 0.459 2.83 8 35.8 2.9
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 1 0 0 5.331 10.663 8.29 148.2 19.2 19.3 5.6
2 0 1 1 5.922 11.844 7.4661 97.0 12.5 12.6 5.6
3 0 2 1 8.261 16.522 5.36093 199.6 25.8 25.9 5.6
4 1 2 1 9.852 19.705 4.50167 207.7 26.9 26.9 5.6
5 0 1 2 10.398 20.796 4.26779 22.1 2.9 2.9 5.6
6 2 0 0 10.71 21.419 4.145 32.2 4.2 4.2 5.6
7 0 3 1 11.138 22.275 3.98765 8.8 1.1 1.1 5.6
8 1 0 2 11.222 22.445 3.95795 773.4 100.0 100.0 5.6
9 1 1 2 11.712 23.425 3.79448 23.6 3.0 3.0 5.6
10 2 1 1 12.272 24.544 3.62397 95.6 12.4 12.3 5.6
11 2 2 1 13.586 27.172 3.27915 204.7 26.5 26.4 5.6
12 0 3 2 14.087 28.175 3.16464 9.7 1.3 1.3 5.6
13 1 4 0 14.415 28.83 3.09422 72.8 9.4 9.4 5.6
14 2 0 2 14.628 29.256 3.05014 191.3 24.7 24.6 5.6
15 2 1 2 15.014 30.028 2.97342 30.0 3.9 3.9 5.6
16 1 3 2 15.102 30.204 2.95654 15.6 2.0 2.0 5.6
17 0 1 3 15.243 30.487 2.9297 55.3 7.2 7.1 5.6
18 2 2 2 16.122 32.245 2.77391 9.1 1.2 1.2 5.6
19 3 0 0 16.186 32.371 2.76333 21.2 2.7 2.7 5.6
20 0 2 3 16.338 32.675 2.7383 153.4 19.8 19.7 5.6
21 0 4 2 16.7 33.401 2.68047 27.4 3.5 3.5 5.7
22 2 4 0 17.243 34.487 2.5985 767.5 99.2 98.3 5.7
23 3 1 1 17.291 34.583 2.59153 45.2 5.8 5.8 5.7
24 0 5 1 17.523 35.045 2.55835 16.2 2.1 2.1 5.7
25 1 4 2 17.579 35.157 2.55046 50.7 6.6 6.5 5.7
26 2 4 1 17.97 35.94 2.49671 15.7 2.0 2.0 5.7
27 0 3 3 18.03 36.06 2.4887 9.2 1.2 1.2 5.7
28 3 2 1 18.276 36.553 2.45623 17.4 2.2 2.2 5.7
29 1 5 1 18.367 36.733 2.44459 33.9 4.4 4.3 5.7
30 2 1 3 18.782 37.564 2.39243 76.4 9.9 9.8 5.7
31 3 1 2 19.395 38.79 2.31956 49.4 6.4 6.3 5.7
32 0 5 2 19.605 39.21 2.29568 10.8 1.4 1.4 5.7
33 2 2 3 19.703 39.405 2.28475 143.6 18.6 18.3 5.7
34 0 0 4 19.999 39.998 2.25225 147.4 19.1 18.8 5.7
35 0 1 4 20.294 40.589 2.22082 19.5 2.5 2.5 5.7
36 2 5 1 20.721 41.442 2.17706 16.3 2.1 2.1 5.7
37 1 0 4 20.757 41.514 2.17346 248.9 32.2 31.7 5.7
38 0 6 1 20.905 41.81 2.15872 65.0 8.4 8.3 5.7
39 1 1 4 21.043 42.087 2.14518 72.4 9.4 9.2 5.7
40 2 3 3 21.162 42.325 2.13366 11.5 1.5 1.5 5.7
41 3 4 0 21.223 42.446 2.12788 322.7 41.7 41.0 5.7
42 1 6 1 21.637 43.274 2.08906 21.6 2.8 2.7 5.7
43 3 3 2 21.719 43.439 2.08149 8.2 1.1 1.0 5.7
44 4 0 0 21.818 43.637 2.0725 115.8 15.0 14.7 5.7
45 3 1 3 22.531 45.062 2.01021 56.0 7.2 7.1 5.7
46 0 5 3 22.717 45.434 1.99461 24.1 3.1 3.1 5.7
47 2 4 3 23.079 46.158 1.96498 13.6 1.8 1.7 5.7
48 2 6 0 23.149 46.298 1.95939 17.1 2.2 2.2 5.7
49 1 5 3 23.403 46.807 1.93927 20.5 2.6 2.6 5.7
50 4 2 1 23.483 46.966 1.93307 122.8 15.9 15.5 5.7
51 3 4 2 23.6 47.2 1.92401 85.2 11.0 10.8 5.7
52 2 6 1 23.723 47.446 1.91463 133.8 17.3 16.9 5.7
53 4 0 2 24.149 48.299 1.88278 9.4 1.2 1.2 5.7
54 4 1 2 24.404 48.809 1.8643 24.5 3.2 3.1 5.7
55 1 4 4 25.025 50.05 1.82094 32.2 4.2 4.1 5.7
56 2 3 4 25.216 50.432 1.80803 40.7 5.3 5.1 5.8
57 2 5 3 25.377 50.753 1.79734 23.1 3.0 2.9 5.8
58 0 6 3 25.534 51.069 1.78698 71.3 9.2 9.0 5.8
59 1 6 3 26.165 52.329 1.74685 33.4 4.3 4.2 5.8
60 0 2 5 26.284 52.569 1.73946 24.7 3.2 3.1 5.8
61 0 5 4 26.587 53.174 1.72107 10.3 1.3 1.3 5.8
62 1 7 2 26.653 53.305 1.71715 10.6 1.4 1.3 5.8
63 2 4 4 26.91 53.82 1.70193 277.2 35.8 34.8 5.8
64 1 5 4 27.2 54.401 1.68514 12.9 1.7 1.6 5.8
65 0 8 0 27.51 55.02 1.66762 75.6 9.8 9.5 5.8
66 5 0 0 27.683 55.367 1.658 12.2 1.6 1.5 5.8
67 4 2 3 27.783 55.565 1.65255 48.5 6.3 6.1 5.8
68 4 4 2 28.022 56.043 1.63957 232.9 30.1 29.1 5.8
69 1 8 0 28.109 56.219 1.63487 60.8 7.9 7.6 5.8
70 2 2 5 28.701 57.402 1.60395 31.6 4.1 3.9 5.8
71 2 5 4 28.987 57.973 1.5895 29.0 3.7 3.6 5.8
72 0 8 2 29.508 59.015 1.56389 9.3 1.2 1.2 5.8
73 5 0 2 29.673 59.347 1.55595 14.5 1.9 1.8 5.8
74 2 3 5 29.821 59.642 1.54895 9.3 1.2 1.2 5.8
75 3 4 4 29.868 59.736 1.54674 95.3 12.3 11.8 5.8
76 1 8 2 30.081 60.163 1.53679 28.2 3.6 3.5 5.8
77 4 0 4 30.337 60.673 1.52507 42.9 5.6 5.3 5.8
78 4 1 4 30.555 61.11 1.5152 22.1 2.9 2.7 5.8
79 3 6 3 30.886 61.772 1.50056 17.7 2.3 2.2 5.8
80 5 4 0 31.253 62.507 1.48467 15.7 2.0 1.9 5.8
81 2 8 2 31.765 63.529 1.46321 58.1 7.5 7.2 5.9
82 0 7 4 31.968 63.936 1.45487 11.7 1.5 1.4 5.9
83 2 0 6 33.068 66.135 1.41173 12.7 1.6 1.6 5.9
84 5 4 2 33.112 66.224 1.41005 8.9 1.1 1.1 5.9
85 2 1 6 33.276 66.552 1.40389 12.2 1.6 1.5 5.9
86 4 4 4 33.737 67.473 1.38695 17.5 2.3 2.2 5.9
87 6 0 0 33.883 67.766 1.38167 20.7 2.7 2.5 5.9
88 0 4 6 34.236 68.471 1.36915 13.3 1.7 1.6 5.9
89 4 6 3 34.692 69.383 1.35337 17.2 2.2 2.1 5.9
90 0 8 4 35.081 70.162 1.34023 45.6 5.9 5.6 5.9
91 6 2 1 35.15 70.3 1.33795 23.0 3.0 2.8 5.9
92 5 0 4 35.232 70.465 1.33522 35.7 4.6 4.4 5.9
93 4 2 5 35.319 70.638 1.33237 12.3 1.6 1.5 5.9
94 2 6 5 35.506 71.011 1.32628 8.1 1.1 1.0 5.9
95 1 8 4 35.605 71.211 1.32306 33.1 4.3 4.0 5.9
96 6 0 2 35.671 71.343 1.32092 26.2 3.4 3.2 5.9
97 3 5 5 35.898 71.797 1.31369 12.1 1.6 1.5 5.9
98 1 10 1 36.23 72.459 1.3033 8.1 1.0 1.0 5.9
99 4 8 0 36.361 72.721 1.29925 27.2 3.5 3.3 6.0
100 6 4 0 37.117 74.234 1.27647 27.2 3.5 3.3 6.0
101 3 3 6 37.517 75.034 1.26483 9.9 1.3 1.2 6.0
102 4 6 4 37.768 75.536 1.25767 10.7 1.4 1.3 6.0
103 6 2 3 38.642 77.283 1.23354 9.7 1.3 1.2 6.0
104 6 4 2 38.844 77.689 1.22811 11.1 1.4 1.3 6.0
105 3 4 6 38.893 77.786 1.22682 23.0 3.0 2.8 6.0
106 4 5 5 39.479 78.958 1.21152 11.8 1.5 1.4 6.0
107 2 2 7 39.587 79.173 1.20877 7.8 1.0 0.9 6.0
108 5 8 0 40.929 81.859 1.17577 12.1 1.6 1.4 6.1
109 6 6 1 41.446 82.892 1.16372 7.9 1.0 0.9 6.1
110 4 6 5 41.606 83.213 1.16004 15.6 2.0 1.9 6.1
111 7 0 2 42.262 84.524 1.14536 15.6 2.0 1.8 6.1
112 4 4 6 42.398 84.796 1.14238 14.2 1.8 1.7 6.1
113 2 7 6 42.767 85.533 1.13441 9.6 1.2 1.1 6.1
114 4 8 4 43.192 86.383 1.12542 23.1 3.0 2.7 6.1
115 0 1 8 43.349 86.698 1.12213 14.7 1.9 1.7 6.1
116 4 10 1 43.786 87.571 1.11318 14.2 1.8 1.7 6.2
117 6 4 4 43.918 87.835 1.11052 25.0 3.2 2.9 6.2
118 4 7 5 44.097 88.194 1.10692 13.7 1.8 1.6 6.2
119 1 8 6 44.15 88.3 1.10587 9.4 1.2 1.1 6.2
120 0 12 1 44.276 88.551 1.10338 8.2 1.1 1.0 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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