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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MANGANHUMITE
1, t-humite, s-humite
[Mn(0.68)Mg(0.3)Fe(0.01)Ca(0.01)](7)[SiO(4)](3)(OH)(2)
Orthorhombic P bnm Z = 4
R =0.051 NR =1562
13 .1 .1994
Ref.Str.:
Francis C.A., Ribbe P.H. (1978)
* Amer. Mineral., 63, 874-877
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.815 alpha = 90.0
b = 10.58 beta = 90.0
c = 21.448 gamma = 90.0
Unit cell volume (cub. angs.) = 1092.62
Molar volume ( cub.cm/mol.) = 164.53
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0015 0.3797 0.1758 0.9 Mg = 0.3 , Mn = 0.7
2 0.5141 0.1583 0.25 0.65 Mn = 1.00
3 0.0085 0.0974 0.1091 0.93 Mn = 1.00
4 0.4907 0.8657 0.027 0.84 Mg = 0.75, Mn = 0.25
5 0.075 0.9699 0.25 0.63 Si = 1.00
6 0.5753 0.2844 0.1043 0.57 Si = 1.00
7 0.715 0.2178 0.1659 0.84 O = 1.00
8 0.2168 0.0381 0.1896 0.86 O = 1.00
9 0.7197 0.213 0.0447 0.75 O = 1.00
10 0.2432 0.285 0.1029 0.89 O = 1.00
11 0.2785 0.3293 0.25 0.8 O = 1.00
12 0.7421 0.968 0.25 0.97 O = 1.00
13 0.7778 0.9252 0.1031 0.72 O = 1.00
14 0.2631 0.0306 0.0333 0.87 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0015 0.3797 0.1758
2 2 0.5141 0.1583 0.25
3 3 0.0085 0.0974 0.1091
4 4 0.4907 0.8657 0.027
5 5 0.075 0.9699 0.25
6 6 0.5753 0.2844 0.1043
7 7 0.715 0.2178 0.1659
8 8 0.2168 0.0381 0.1896
9 9 0.7197 0.213 0.0447
10 10 0.2432 0.285 0.1029
11 11 0.2785 0.3293 0.25
12 12 0.7421 0.968 0.25
13 13 0.7778 0.9252 0.1031
14 14 0.2631 0.0306 0.0333
15 1 0.9985 0.6203 0.8242
16 2 0.4859 0.8417 0.75
17 3 0.9915 0.9026 0.8909
18 4 0.5093 0.1343 0.973
19 5 0.925 0.0301 0.75
20 6 0.4247 0.7156 0.8957
21 7 0.285 0.7822 0.8341
22 8 0.7832 0.9619 0.8104
23 9 0.2803 0.787 0.9553
24 10 0.7568 0.715 0.8971
25 11 0.7215 0.6707 0.75
26 12 0.2579 0.032 0.75
27 13 0.2222 0.0748 0.8969
28 14 0.7369 0.9694 0.9667
29 1 0.9985 0.6203 0.6758
30 3 0.9915 0.9026 0.6091
31 4 0.5093 0.1343 0.527
32 6 0.4247 0.7156 0.6043
33 7 0.285 0.7822 0.6659
34 8 0.7832 0.9619 0.6896
35 9 0.2803 0.787 0.5447
36 10 0.7568 0.715 0.6029
37 13 0.2222 0.0748 0.6031
38 14 0.7369 0.9694 0.5333
39 1 0.0015 0.3797 0.3242
40 3 0.0085 0.0974 0.3909
41 4 0.4907 0.8657 0.473
42 6 0.5753 0.2844 0.3957
43 7 0.715 0.2178 0.3341
44 8 0.2168 0.0381 0.3104
45 9 0.7197 0.213 0.4553
46 10 0.2432 0.285 0.3971
47 13 0.7778 0.9252 0.3969
48 14 0.2631 0.0306 0.4667
49 1 0.4985 0.8797 0.1758
50 2 0.9859 0.6583 0.25
51 3 0.4915 0.5974 0.1091
52 4 0.0093 0.3657 0.027
53 5 0.425 0.4699 0.25
54 6 0.9247 0.7844 0.1043
55 7 0.785 0.7178 0.1659
56 8 0.2832 0.5381 0.1896
57 9 0.7803 0.713 0.0447
58 10 0.2568 0.785 0.1029
59 11 0.2215 0.8293 0.25
60 12 0.7579 0.468 0.25
61 13 0.7222 0.4252 0.1031
62 14 0.2369 0.5306 0.0333
63 1 0.5015 0.1203 0.8242
64 2 0.0141 0.3417 0.75
65 3 0.5085 0.4026 0.8909
66 4 0.9907 0.6343 0.973
67 5 0.575 0.5301 0.75
68 6 0.0753 0.2156 0.8957
69 7 0.215 0.2822 0.8341
70 8 0.7168 0.4619 0.8104
71 9 0.2197 0.287 0.9553
72 10 0.7432 0.215 0.8971
73 11 0.7785 0.1707 0.75
74 12 0.2421 0.532 0.75
75 13 0.2778 0.5748 0.8969
76 14 0.7631 0.4694 0.9667
77 1 0.5015 0.1203 0.6758
78 3 0.5085 0.4026 0.6091
79 4 0.9907 0.6343 0.527
80 6 0.0753 0.2156 0.6043
81 7 0.215 0.2822 0.6659
82 8 0.7168 0.4619 0.6896
83 9 0.2197 0.287 0.5447
84 10 0.7432 0.215 0.6029
85 13 0.2778 0.5748 0.6031
86 14 0.7631 0.4694 0.5333
87 1 0.4985 0.8797 0.3242
88 3 0.4915 0.5974 0.3909
89 4 0.0093 0.3657 0.473
90 6 0.9247 0.7844 0.3957
91 7 0.785 0.7178 0.3341
92 8 0.2832 0.5381 0.3104
93 9 0.7803 0.713 0.4553
94 10 0.2568 0.785 0.3971
95 13 0.7222 0.4252 0.3969
96 14 0.2369 0.5306 0.4667
X-ray density (g/cm cub.) = 3.83
MU (1/cm) = 525.041 Mass attenuation coefficient (cm**2/g) = 137.029
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Mn 2.772 6
2.2096 7
2.1916 10
2.1438 11
2.1762 8
2.1866 12
2.1146 13
2 Mn 2.772 6
2.1414 7
2.3119 8
2.1354 11
2.2932 12
2.1414 7
2.3119 8
3 Mn 2.772 6
2.2592 7
2.093 8
2.3103 9
2.2878 10
2.1377 13
2.1553 14
4 Mg ,Mn 2.772 6
2.2296 13
2.0647 14
2.021 9
2.0692 14
2.1676 9
2.1558 10
5 Si 2.148 4
1.6325 8
1.603 12
1.6325 8
1.6463 11
6 Si 2.148 4
1.6415 7
1.6395 9
1.5994 10
1.6493 13
7 O 3.312 9
3.1162 8
3.1028 8
2.6001 9
2.9664 10
2.7372 10
3.0104 11
3.2024 12
3.2099 12
2.5749 13
8 O 3.312 9
3.1028 7
3.1162 7
3.209 10
2.937 12
2.7299 12
3.0556 13
2.5909 8
3.2658 10
2.561 11
9 O 3.312 12
2.6001 7
2.9141 10
2.7208 10
3.3044 13
3.2603 14
2.9355 14
3.0738 14
2.5709 13
3.1758 9
3.1758 9
3.1678 10
3.1939 14
10 O 3.312 12
2.7372 7
2.9664 7
3.209 8
2.7208 9
2.9141 9
3.1941 11
3.0793 14
3.2658 8
2.7422 13
2.9143 13
2.9969 14
3.1678 9
11 O 3.312 8
3.0104 7
3.1941 10
3.0104 7
3.1941 10
2.561 8
2.7353 12
2.9046 12
2.561 8
12 O 3.312 12
3.2024 7
2.7299 8
2.937 8
3.1877 13
3.2024 7
2.7299 8
2.937 8
3.1877 13
3.2099 7
2.7353 11
2.9046 11
3.2099 7
13 O 3.312 10
3.0556 8
3.3044 9
3.1877 12
2.9908 14
3.1027 14
2.9692 14
2.5749 7
2.5709 9
2.7422 10
2.9143 10
14 OH 3.36 11
2.9355 9
3.2603 9
3.0793 10
3.1027 13
2.9908 13
3.0738 9
2.9692 13
2.7684 14
2.9798 14
2.9969 10
3.1939 9
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 2 4.119 8.238 0.047 384.67 2 63.0 255.5
2 0 0 4 8.259 16.519 0.093 93.97 2 73.6 85.2
3 0 2 0 8.373 16.745 0.095 91.39 2 31.4 15.1
4 0 2 1 8.625 17.251 0.097 85.98 4 31.3 28.2
5 0 2 2 9.344 18.688 0.105 72.94 4 59.3 85.9
6 1 0 1 9.437 18.873 0.106 71.47 4 4.5 0.5
7 1 1 0 10.123 20.246 0.114 61.83 4 10.0 2.1
8 1 1 1 10.335 20.669 0.116 59.24 8 17.0 11.4
9 0 2 3 10.436 20.872 0.118 58.05 4 9.0 1.6
10 1 1 2 10.945 21.891 0.123 52.58 8 22.0 17.1
11 1 0 3 11.121 22.241 0.125 50.87 4 72.3 89.0
12 0 2 4 11.803 23.606 0.133 44.92 4 81.9 101.1
13 1 1 3 11.897 23.795 0.134 44.18 8 100.1 296.6
14 0 0 6 12.444 24.888 0.14 40.2 2 133.1 119.4
15 1 2 0 12.493 24.986 0.14 39.87 4 12.1 2.0
16 1 2 1 12.667 25.334 0.142 38.73 8 66.5 114.6
17 1 1 4 13.121 26.241 0.147 35.96 8 169.5 692.1
18 1 2 2 13.175 26.351 0.148 35.64 8 22.8 12.4
19 0 2 5 13.367 26.734 0.15 34.57 4 27.9 9.0
20 1 0 5 13.916 27.831 0.156 31.74 4 40.6 17.5
21 1 2 3 13.985 27.97 0.157 31.41 8 23.5 11.6
22 1 1 5 14.553 29.106 0.163 28.86 8 100.3 194.7
23 1 2 4 15.051 30.102 0.169 26.85 8 50.4 45.6
24 0 2 6 15.074 30.148 0.169 26.76 4 22.5 4.5
25 1 3 0 15.708 31.416 0.176 24.49 4 191.8 301.8
26 1 3 1 15.849 31.698 0.177 24.03 8 200.6 648.1
27 1 1 6 16.145 32.291 0.181 23.08 8 194.6 585.9
28 1 3 2 16.266 32.532 0.182 22.71 8 101.0 155.2
29 1 2 5 16.328 32.656 0.182 22.53 8 14.6 3.2
30 0 0 8 16.697 33.394 0.186 21.46 2 159.7 91.7
31 0 2 7 16.889 33.778 0.189 20.94 4 208.7 305.5
32 0 4 0 16.931 33.862 0.189 20.82 2 152.1 80.7
33 1 3 3 16.941 33.882 0.189 20.8 8 207.6 600.6
34 0 4 1 17.063 34.127 0.19 20.47 4 6.3 0.3
35 1 0 7 17.336 34.673 0.193 19.78 4 27.7 5.1
36 0 4 2 17.454 34.909 0.195 19.49 4 18.1 2.1
37 1 2 6 17.778 35.556 0.198 18.72 8 5.0 0.3
38 1 3 4 17.848 35.695 0.199 18.56 8 195.7 476.5
39 1 1 7 17.863 35.726 0.199 18.52 8 185.8 428.7
40 0 4 3 18.09 36.18 0.202 18.02 4 191.3 221.1
41 2 0 0 18.66 37.32 0.208 16.83 2 197.0 109.5
42 0 2 8 18.79 37.58 0.209 16.58 4 0.4 0.0
43 0 4 4 18.949 37.898 0.211 16.27 4 16.6 1.5
44 1 3 5 18.958 37.916 0.211 16.25 8 102.0 113.2
45 2 0 2 19.142 38.284 0.213 15.91 4 48.4 12.5
46 2 1 0 19.155 38.311 0.213 15.89 4 120.7 77.5
47 2 1 1 19.274 38.548 0.214 15.67 8 49.0 25.2
48 1 2 7 19.369 38.738 0.215 15.5 8 174.7 317.0
49 1 4 0 19.406 38.813 0.216 15.43 4 201.7 210.4
50 1 4 1 19.524 39.048 0.217 15.23 8 4.7 0.2
51 2 1 2 19.627 39.254 0.218 15.05 8 28.0 7.9
52 1 1 8 19.683 39.365 0.219 14.96 8 135.9 185.3
53 1 4 2 19.873 39.747 0.221 14.64 8 3.9 0.1
54 0 4 5 20.007 40.014 0.222 14.42 4 72.5 25.4
55 2 1 3 20.204 40.408 0.224 14.11 8 65.6 40.7
56 1 3 6 20.244 40.488 0.225 14.05 8 68.1 43.7
57 1 4 3 20.444 40.889 0.227 13.75 8 3.0 0.1
58 2 0 4 20.531 41.063 0.228 13.62 4 38.6 6.8
59 2 2 0 20.581 41.161 0.228 13.54 4 0.5 0.0
60 2 2 1 20.693 41.385 0.229 13.38 8 23.2 4.8
61 0 2 9 20.763 41.527 0.23 13.28 4 24.1 2.6
62 2 1 4 20.99 41.979 0.233 12.96 8 65.3 37.0
63 2 2 2 21.026 42.052 0.233 12.91 8 6.7 0.4
64 0 0 10 21.047 42.095 0.233 12.88 2 64.6 9.0
65 1 2 8 21.078 42.156 0.233 12.84 8 3.0 0.1
66 1 0 9 21.14 42.28 0.234 12.76 4 2.2 0.0
67 1 4 4 21.223 42.445 0.235 12.64 8 5.2 0.2
68 0 4 6 21.24 42.48 0.235 12.62 4 70.9 21.2
69 2 2 3 21.572 43.144 0.239 12.19 8 26.0 5.5
70 1 1 9 21.588 43.175 0.239 12.17 8 32.6 8.6
71 1 3 7 21.682 43.364 0.24 12.05 8 0.5 0.0
72 2 1 5 21.966 43.931 0.243 11.7 8 26.0 5.3
73 1 4 5 22.19 44.381 0.245 11.44 8 10.2 0.8
74 2 2 4 22.318 44.636 0.246 11.29 8 68.5 35.5
75 0 4 7 22.626 45.253 0.25 10.95 4 52.4 10.1
76 2 0 6 22.69 45.38 0.25 10.88 4 16.3 1.0
77 2 3 0 22.792 45.585 0.251 10.77 4 46.3 7.7
78 0 2 10 22.801 45.602 0.252 10.76 4 10.5 0.4
79 1 2 9 22.888 45.776 0.252 10.67 8 24.6 4.3
80 2 3 1 22.896 45.791 0.253 10.66 8 27.9 5.6
81 2 1 6 23.114 46.227 0.255 10.43 8 27.5 5.3
82 2 3 2 23.203 46.407 0.256 10.34 8 1.0 0.0
83 2 2 5 23.249 46.499 0.256 10.29 8 41.2 11.7
84 1 3 8 23.252 46.504 0.256 10.29 8 9.3 0.6
85 1 4 6 23.33 46.66 0.257 10.21 8 4.3 0.1
86 1 5 0 23.43 46.86 0.258 10.12 4 37.5 4.8
87 1 5 1 23.531 47.062 0.259 10.02 8 40.2 10.8
88 1 1 10 23.568 47.137 0.26 9.98 8 119.2 95.0
89 2 3 3 23.709 47.419 0.261 9.85 8 9.9 0.6
90 1 5 2 23.832 47.665 0.262 9.73 8 36.4 8.6
91 0 4 8 24.148 48.296 0.266 9.45 4 27.4 2.4
92 1 5 3 24.328 48.657 0.267 9.29 8 88.0 48.2
93 2 2 6 24.35 48.701 0.268 9.27 8 5.2 0.2
94 2 3 4 24.404 48.808 0.268 9.22 8 9.0 0.5
95 2 1 7 24.416 48.833 0.268 9.21 8 20.4 2.6
96 1 4 7 24.624 49.247 0.27 9.04 8 4.6 0.1
97 1 2 10 24.788 49.575 0.272 8.9 8 76.0 34.4
98 0 2 11 24.9 49.8 0.273 8.81 4 6.9 0.1
99 1 3 9 24.938 49.875 0.274 8.78 8 51.4 15.6
100 1 5 4 25.01 50.021 0.274 8.72 8 75.7 33.5
101 1 0 11 25.228 50.455 0.277 8.55 4 44.3 5.6
102 2 3 5 25.277 50.553 0.277 8.51 8 0.7 0.0
103 2 0 8 25.469 50.937 0.279 8.37 4 119.4 40.0
104 0 0 12 25.529 51.058 0.28 8.32 2 101.9 14.5
105 2 2 7 25.605 51.211 0.281 8.27 8 413.9 949.1
106 1 1 11 25.619 51.238 0.281 8.26 8 107.4 63.8
107 2 4 0 25.635 51.271 0.281 8.25 4 358.1 354.3
108 2 4 1 25.73 51.46 0.282 8.18 8 1.3 0.0
109 0 4 9 25.79 51.579 0.282 8.13 4 86.6 20.5
110 2 1 8 25.858 51.715 0.283 8.08 8 17.1 1.6
111 1 5 5 25.868 51.735 0.283 8.08 8 27.6 4.1
112 0 6 0 25.902 51.804 0.284 8.05 2 57.5 4.5
113 0 6 1 25.996 51.992 0.285 7.99 4 2.9 0.0
114 2 4 2 26.012 52.024 0.285 7.98 8 6.4 0.2
115 1 4 8 26.057 52.113 0.285 7.94 8 18.6 1.8
116 0 6 2 26.276 52.552 0.287 7.79 4 83.6 18.3
117 2 3 6 26.314 52.628 0.288 7.77 8 28.2 4.1
118 2 4 3 26.478 52.956 0.289 7.66 8 180.6 167.4
119 1 3 10 26.728 53.456 0.292 7.5 8 141.6 100.7
120 0 6 3 26.739 53.477 0.292 7.49 4 38.3 3.7
121 1 2 11 26.769 53.539 0.292 7.47 8 7.2 0.3
122 1 5 6 26.889 53.778 0.294 7.4 8 116.3 67.1
123 2 2 8 27.001 54.002 0.295 7.33 8 4.8 0.1
124 0 2 12 27.059 54.117 0.295 7.29 4 23.5 1.3
125 2 4 4 27.121 54.241 0.296 7.25 8 0.6 0.0
126 0 6 4 27.377 54.754 0.298 7.1 4 262.2 163.5
127 2 1 9 27.425 54.85 0.299 7.07 8 23.1 2.5
128 2 3 7 27.504 55.009 0.3 7.02 8 37.4 6.6
129 0 4 10 27.54 55.081 0.3 7.0 4 33.5 2.6
130 1 4 9 27.616 55.232 0.301 6.96 8 18.4 1.6
131 1 6 0 27.723 55.447 0.302 6.9 4 10.0 0.2
132 1 1 12 27.738 55.476 0.302 6.89 8 67.3 20.9
133 1 6 1 27.813 55.626 0.303 6.85 8 41.9 8.0
134 2 4 5 27.932 55.864 0.304 6.78 8 67.2 20.5
135 1 5 7 28.062 56.125 0.305 6.71 8 129.2 75.0
136 1 6 2 28.081 56.162 0.306 6.7 8 3.2 0.0
137 0 6 5 28.184 56.367 0.307 6.65 4 30.7 2.1
138 1 6 3 28.523 57.047 0.31 6.47 8 21.5 2.0
139 2 2 9 28.525 57.05 0.31 6.47 8 11.5 0.6
140 1 3 11 28.615 57.23 0.311 6.42 8 160.9 111.4
141 2 0 10 28.75 57.5 0.312 6.35 4 55.0 6.4
142 3 0 1 28.768 57.536 0.312 6.34 4 7.7 0.1
143 1 2 12 28.83 57.66 0.313 6.31 8 26.0 2.9
144 2 3 8 28.836 57.673 0.313 6.31 8 19.3 1.6
145 2 4 6 28.903 57.807 0.314 6.28 8 88.8 33.2
146 2 5 0 28.989 57.979 0.315 6.24 4 16.0 0.5
147 3 1 0 29.04 58.079 0.315 6.21 4 63.0 8.3
148 2 5 1 29.076 58.153 0.315 6.19 8 6.5 0.2
149 2 1 10 29.109 58.217 0.316 6.18 8 47.1 9.2
150 3 1 1 29.127 58.253 0.316 6.17 8 76.0 23.9
151 1 6 4 29.136 58.271 0.316 6.17 8 17.7 1.3
152 0 6 6 29.149 58.299 0.316 6.16 4 1.5 0.0
153 0 2 13 29.279 58.558 0.317 6.1 4 113.2 26.2
154 1 4 10 29.292 58.585 0.318 6.09 8 10.9 0.5
155 2 5 2 29.337 58.673 0.318 6.07 8 18.7 1.4
156 1 5 8 29.378 58.756 0.318 6.05 8 99.5 40.1
157 3 1 2 29.387 58.773 0.319 6.05 8 57.3 13.3
158 0 4 11 29.393 58.785 0.319 6.04 4 222.0 99.9
159 3 0 3 29.464 58.927 0.319 6.01 4 45.4 4.2
160 1 0 13 29.573 59.145 0.32 5.96 4 2.2 0.0
161 2 5 3 29.767 59.535 0.322 5.88 8 61.9 15.1
162 3 1 3 29.817 59.634 0.323 5.85 8 114.3 51.3
163 1 6 5 29.911 59.822 0.324 5.81 8 14.6 0.8
164 1 1 13 29.925 59.85 0.324 5.81 8 32.2 4.0
165 2 4 7 30.025 60.05 0.325 5.76 8 42.7 7.1
166 3 2 0 30.101 60.202 0.326 5.73 4 1.4 0.0
167 2 2 10 30.168 60.337 0.326 5.7 8 20.6 1.6
168 0 0 14 30.185 60.37 0.326 5.69 2 538.9 277.0
169 3 2 1 30.186 60.373 0.326 5.69 8 66.9 17.1
170 0 6 7 30.265 60.531 0.327 5.66 4 449.2 382.7
171 2 3 9 30.3 60.6 0.327 5.65 8 13.3 0.7
172 2 5 4 30.364 60.728 0.328 5.62 8 62.9 14.9
173 3 1 4 30.413 60.826 0.329 5.6 8 106.6 42.6
174 3 2 2 30.441 60.881 0.329 5.59 8 20.5 1.6
175 1 3 12 30.594 61.188 0.33 5.53 8 103.9 40.0
176 3 0 5 30.825 61.65 0.333 5.43 4 16.2 0.5
177 1 5 9 30.826 61.651 0.333 5.43 8 2.0 0.0
178 1 6 6 30.843 61.686 0.333 5.43 8 1.9 0.0
179 3 2 3 30.862 61.724 0.333 5.42 8 16.7 1.0
180 2 1 11 30.901 61.801 0.333 5.41 8 43.5 6.8
181 1 2 13 30.968 61.936 0.334 5.38 8 5.3 0.1
182 1 4 11 31.078 62.156 0.335 5.34 8 36.1 4.7
183 2 5 5 31.121 62.242 0.335 5.32 8 27.7 2.7
184 3 1 5 31.169 62.338 0.336 5.3 8 56.8 11.5
185 2 4 8 31.289 62.577 0.337 5.26 8 19.0 1.3
186 0 4 12 31.341 62.683 0.338 5.24 4 34.4 2.1
187 3 2 4 31.446 62.892 0.339 5.2 8 63.2 13.9
188 0 6 8 31.523 63.047 0.339 5.17 4 16.6 0.5
189 0 2 14 31.564 63.128 0.34 5.16 4 5.9 0.1
190 3 3 0 31.822 63.645 0.342 5.07 4 108.8 20.1
191 2 3 10 31.888 63.775 0.343 5.04 8 8.6 0.3
192 3 3 1 31.905 63.81 0.343 5.04 8 104.7 37.0
193 1 6 7 31.923 63.847 0.343 5.03 8 4.0 0.1
194 2 2 11 31.925 63.85 0.343 5.03 8 14.4 0.7
195 2 5 6 32.032 64.064 0.344 5.0 8 10.1 0.3
196 3 1 6 32.079 64.159 0.345 4.98 8 100.4 33.6
197 3 3 2 32.151 64.303 0.345 4.95 8 43.4 6.3
198 1 1 14 32.183 64.367 0.346 4.94 8 2.5 0.0
199 3 2 5 32.188 64.377 0.346 4.94 8 20.2 1.4
200 1 7 0 32.287 64.573 0.347 4.91 4 227.0 84.8
201 1 7 1 32.368 64.737 0.348 4.88 8 176.8 102.3
202 1 5 10 32.399 64.797 0.348 4.87 8 37.0 4.5
203 2 0 12 32.463 64.925 0.348 4.85 4 64.3 6.7
204 3 3 3 32.56 65.12 0.349 4.82 8 120.6 47.0
205 1 7 2 32.613 65.226 0.35 4.8 8 16.3 0.9
206 1 3 13 32.663 65.326 0.35 4.79 8 148.4 70.6
207 2 4 9 32.687 65.374 0.351 4.78 8 36.8 4.4
208 2 6 0 32.784 65.568 0.351 4.75 4 20.3 0.7
209 2 1 12 32.797 65.594 0.352 4.75 8 3.1 0.0
210 3 0 7 32.805 65.61 0.352 4.74 4 35.0 1.9
211 2 6 1 32.865 65.73 0.352 4.73 8 17.6 1.0
212 0 6 9 32.916 65.832 0.353 4.71 4 17.0 0.5
213 1 4 12 32.969 65.938 0.353 4.69 8 2.2 0.0
214 1 7 3 33.019 66.037 0.354 4.68 8 19.5 1.2
215 3 2 6 33.083 66.167 0.354 4.66 8 11.7 0.4
216 2 5 7 33.091 66.182 0.354 4.66 8 49.7 7.7
217 2 6 2 33.108 66.215 0.355 4.65 8 28.3 2.5
218 3 3 4 33.128 66.256 0.355 4.65 8 118.7 43.9
219 3 1 7 33.138 66.275 0.355 4.64 8 109.8 37.5
220 1 6 8 33.146 66.292 0.355 4.64 8 2.8 0.0
221 1 2 14 33.186 66.371 0.355 4.63 8 10.3 0.3
222 0 4 13 33.385 66.77 0.357 4.57 4 15.2 0.4
223 2 6 3 33.51 67.02 0.358 4.53 8 33.6 3.4
224 1 7 4 33.582 67.165 0.359 4.51 8 20.4 1.3
225 2 3 11 33.594 67.187 0.359 4.51 8 24.1 1.8
226 2 2 12 33.79 67.58 0.361 4.46 8 9.0 0.2
227 3 3 5 33.85 67.701 0.362 4.44 8 50.5 7.6
228 0 2 15 33.92 67.841 0.362 4.42 4 60.4 5.4
229 2 6 4 34.07 68.14 0.364 4.38 8 109.1 34.9
230 1 5 11 34.091 68.182 0.364 4.37 8 71.2 14.9
231 3 2 7 34.126 68.251 0.364 4.37 8 208.8 127.5
232 3 4 0 34.151 68.301 0.364 4.36 4 161.1 37.9
233 1 0 15 34.191 68.383 0.365 4.35 4 0.4 0.0
234 2 4 10 34.214 68.427 0.365 4.34 8 1.5 0.0
235 3 4 1 34.23 68.46 0.365 4.34 8 4.2 0.1
236 2 5 8 34.292 68.584 0.366 4.32 8 24.0 1.7
237 1 7 5 34.3 68.601 0.366 4.32 8 7.4 0.2
238 3 1 8 34.338 68.676 0.366 4.31 8 77.4 17.3
239 0 6 10 34.438 68.876 0.367 4.28 4 184.3 48.8
240 3 4 2 34.468 68.936 0.367 4.28 8 0.1 0.0
241 1 6 9 34.504 69.009 0.368 4.27 8 9.6 0.3
242 1 1 15 34.517 69.035 0.368 4.26 8 12.5 0.4
243 3 3 6 34.724 69.447 0.37 4.21 8 23.6 1.6
244 2 6 5 34.783 69.566 0.37 4.2 8 30.5 2.6
245 2 1 13 34.796 69.592 0.37 4.19 8 16.4 0.8
246 1 3 14 34.824 69.647 0.371 4.19 8 102.9 29.7
247 3 4 3 34.863 69.726 0.371 4.18 8 105.5 31.1
248 1 4 13 34.963 69.925 0.372 4.15 8 3.0 0.0
249 0 0 16 35.073 70.146 0.373 4.13 2 0.7 0.0
250 1 7 6 35.168 70.337 0.374 4.1 8 24.6 1.7
251 3 2 8 35.31 70.619 0.375 4.07 8 0.8 0.0
252 3 0 9 35.354 70.707 0.376 4.06 4 55.4 4.2
253 3 4 4 35.413 70.825 0.376 4.05 8 23.7 1.5
254 2 3 12 35.414 70.829 0.376 4.05 8 15.6 0.7
255 1 2 15 35.487 70.974 0.377 4.03 8 31.3 2.7
256 0 4 14 35.524 71.048 0.377 4.02 4 112.2 17.0
257 0 8 0 35.623 71.245 0.378 4.0 2 86.9 5.1
258 2 5 9 35.63 71.259 0.378 4.0 8 35.5 3.4
259 2 6 6 35.646 71.291 0.378 4.0 8 6.1 0.1
260 3 1 9 35.675 71.35 0.379 3.99 8 10.0 0.3
261 0 8 1 35.701 71.401 0.379 3.98 4 8.9 0.1
262 3 3 7 35.743 71.486 0.379 3.97 8 29.7 2.4
263 2 2 13 35.762 71.524 0.379 3.97 8 25.7 1.8
264 2 4 11 35.865 71.729 0.38 3.95 8 109.6 31.8
265 1 5 12 35.9 71.801 0.381 3.94 8 71.8 13.6
266 0 8 2 35.934 71.868 0.381 3.93 4 11.3 0.2
267 1 6 10 35.994 71.988 0.381 3.92 8 48.0 6.0
268 0 6 11 36.084 72.168 0.382 3.9 4 25.9 0.9
269 3 4 5 36.114 72.228 0.383 3.9 8 34.3 3.1
270 1 7 7 36.182 72.365 0.383 3.88 8 52.3 7.1
271 0 8 3 36.322 72.644 0.384 3.85 4 22.3 0.6
272 0 2 16 36.355 72.71 0.385 3.85 4 62.1 5.0
273 2 0 14 36.581 73.162 0.387 3.8 4 178.5 40.6
274 3 2 9 36.631 73.262 0.387 3.79 8 3.1 0.0
275 2 6 7 36.654 73.308 0.388 3.79 8 117.0 34.7
276 0 8 4 36.862 73.725 0.389 3.75 4 16.9 0.4
277 2 1 14 36.898 73.796 0.39 3.74 8 66.9 11.2
278 3 3 8 36.905 73.809 0.39 3.74 8 21.6 1.2
279 1 1 16 36.934 73.869 0.39 3.73 8 10.2 0.3
280 3 4 6 36.964 73.927 0.39 3.73 8 52.3 6.8
281 2 7 0 36.995 73.99 0.391 3.72 4 32.8 1.3
282 3 5 0 37.039 74.079 0.391 3.71 4 27.2 0.9
283 1 4 14 37.061 74.122 0.391 3.71 8 76.6 14.6
284 2 7 1 37.072 74.144 0.391 3.71 8 30.7 2.3
285 1 3 15 37.079 74.158 0.391 3.71 8 89.7 20.0
286 2 5 10 37.1 74.2 0.392 3.7 8 53.8 7.2
287 3 5 1 37.116 74.233 0.392 3.7 8 11.3 0.3
288 3 1 10 37.145 74.289 0.392 3.69 8 59.2 8.7
289 1 8 0 37.158 74.316 0.392 3.69 4 48.3 2.9
290 1 8 1 37.235 74.469 0.393 3.68 8 2.8 0.0
291 2 7 2 37.302 74.604 0.393 3.66 8 8.3 0.2
292 1 7 8 37.338 74.677 0.394 3.66 8 61.9 9.4
293 3 5 2 37.346 74.693 0.394 3.66 8 2.3 0.0
294 2 3 13 37.349 74.698 0.394 3.66 8 31.3 2.4
295 1 8 2 37.464 74.929 0.395 3.64 8 19.8 1.0
296 0 8 5 37.553 75.106 0.396 3.62 4 7.3 0.1
297 1 6 11 37.612 75.224 0.396 3.61 8 7.5 0.1
298 2 4 12 37.637 75.275 0.396 3.61 8 18.8 0.9
299 2 7 3 37.685 75.369 0.397 3.6 8 24.0 1.4
300 3 5 3 37.729 75.458 0.397 3.59 8 29.6 2.1
301 0 4 15 37.762 75.524 0.398 3.58 4 6.8 0.1
302 2 6 8 37.805 75.61 0.398 3.58 8 3.3 0.0
303 1 5 13 37.825 75.651 0.398 3.57 8 74.0 13.1
304 2 2 14 37.842 75.685 0.398 3.57 8 8.9 0.2
305 1 8 3 37.846 75.693 0.398 3.57 8 31.9 2.4
306 0 6 12 37.853 75.706 0.398 3.57 4 64.5 5.0
307 1 2 16 37.879 75.757 0.399 3.56 8 12.0 0.3
308 3 4 7 37.959 75.917 0.399 3.55 8 11.4 0.3
309 3 2 10 38.087 76.174 0.4 3.53 8 30.9 2.3
310 3 3 9 38.205 76.409 0.401 3.51 8 19.6 0.9
311 2 7 4 38.218 76.436 0.402 3.51 8 12.2 0.3
312 3 5 4 38.262 76.524 0.402 3.5 8 55.7 7.3
313 1 8 4 38.379 76.758 0.403 3.48 8 16.7 0.7
314 0 8 6 38.391 76.782 0.403 3.48 4 111.8 14.6
315 3 0 11 38.434 76.867 0.403 3.47 4 76.5 6.8
316 1 7 9 38.634 77.267 0.405 3.44 8 40.6 3.8
317 2 5 11 38.701 77.402 0.406 3.43 8 58.1 7.8
318 3 1 11 38.745 77.49 0.406 3.43 8 80.7 15.0
319 0 2 17 38.878 77.755 0.407 3.41 4 16.1 0.3
320 2 7 5 38.9 77.801 0.408 3.4 8 2.8 0.0
321 3 5 5 38.944 77.888 0.408 3.4 8 30.5 2.1
322 1 8 5 39.06 78.121 0.409 3.38 8 2.0 0.0
323 2 6 9 39.095 78.19 0.409 3.38 8 8.3 0.2
324 3 4 8 39.096 78.192 0.409 3.38 8 23.9 1.3
325 2 1 15 39.107 78.214 0.409 3.37 8 37.8 3.2
326 1 0 17 39.135 78.269 0.41 3.37 4 80.4 7.3
327 1 4 15 39.267 78.534 0.411 3.35 8 2.3 0.0
328 1 6 12 39.357 78.714 0.412 3.34 8 20.7 1.0
329 0 8 7 39.374 78.748 0.412 3.34 4 5.7 0.0
330 2 3 14 39.4 78.799 0.412 3.33 8 32.6 2.4
331 1 3 16 39.435 78.871 0.412 3.33 8 54.9 6.7
332 1 1 17 39.445 78.889 0.412 3.33 8 18.4 0.8
333 2 4 13 39.533 79.065 0.413 3.32 8 0.8 0.0
334 3 3 10 39.641 79.282 0.414 3.3 8 79.3 13.9
335 3 2 11 39.675 79.35 0.414 3.3 8 11.3 0.3
336 2 7 6 39.73 79.459 0.415 3.29 8 27.9 1.7
337 0 6 13 39.745 79.49 0.415 3.29 4 4.7 0.0
338 3 5 6 39.773 79.546 0.415 3.28 8 119.2 31.3
339 4 0 0 39.784 79.569 0.415 3.28 2 333.8 61.3
340 1 5 14 39.868 79.736 0.416 3.27 8 28.4 1.8
341 1 8 6 39.889 79.777 0.416 3.27 8 61.8 8.4
342 2 2 15 40.035 80.07 0.418 3.25 8 67.3 9.9
343 1 7 10 40.066 80.131 0.418 3.25 8 51.2 5.7
344 4 0 2 40.085 80.169 0.418 3.24 4 8.1 0.1
345 4 1 0 40.093 80.186 0.418 3.24 4 43.7 2.1
346 0 4 16 40.106 80.212 0.418 3.24 4 19.6 0.4
347 4 1 1 40.168 80.336 0.419 3.23 8 18.8 0.8
348 0 0 18 40.274 80.549 0.42 3.22 2 30.3 0.5
349 1 2 17 40.37 80.741 0.42 3.21 8 19.2 0.8
350 3 4 9 40.374 80.748 0.42 3.21 8 52.4 5.9
351 4 1 2 40.393 80.785 0.421 3.21 8 5.0 0.1
352 2 5 12 40.432 80.865 0.421 3.2 8 18.0 0.7
353 3 6 0 40.463 80.927 0.421 3.2 4 37.9 1.5
354 3 1 12 40.476 80.951 0.421 3.2 8 70.3 10.6
355 0 8 8 40.5 81.0 0.422 3.19 4 48.8 2.5
356 2 6 10 40.522 81.045 0.422 3.19 8 85.7 15.7
357 3 6 1 40.538 81.076 0.422 3.19 8 19.6 0.8
358 2 7 7 40.704 81.408 0.423 3.17 8 80.5 13.8
359 3 5 7 40.747 81.494 0.424 3.17 8 119.2 30.2
360 3 6 2 40.762 81.525 0.424 3.16 8 51.8 5.7
361 4 1 3 40.767 81.533 0.424 3.16 8 9.6 0.2
362 1 8 7 40.862 81.724 0.425 3.15 8 7.8 0.1
363 4 0 4 40.982 81.965 0.426 3.14 4 6.9 0.1
364 4 2 0 41.015 82.03 0.426 3.14 4 17.1 0.3
365 4 2 1 41.09 82.179 0.427 3.13 8 11.4 0.3
366 2 0 16 41.124 82.248 0.427 3.12 4 38.8 1.6
367 3 6 3 41.136 82.271 0.427 3.12 8 7.2 0.1
368 3 3 11 41.213 82.426 0.428 3.12 8 109.4 25.0
369 1 6 13 41.23 82.46 0.428 3.11 8 30.7 2.0
370 4 1 4 41.289 82.578 0.428 3.11 8 20.4 0.9
371 4 2 2 41.313 82.627 0.429 3.11 8 19.7 0.8
372 3 2 12 41.396 82.792 0.429 3.1 8 12.9 0.3
373 2 1 16 41.43 82.861 0.43 3.09 8 31.2 2.0
374 0 2 18 41.502 83.004 0.43 3.09 4 65.0 4.4
375 2 4 14 41.553 83.106 0.431 3.08 8 200.0 82.5
376 2 3 15 41.57 83.14 0.431 3.08 8 14.7 0.4
377 1 4 16 41.588 83.176 0.431 3.08 8 10.5 0.2
378 1 7 11 41.634 83.268 0.431 3.07 8 11.5 0.3
379 2 8 0 41.647 83.293 0.431 3.07 4 154.1 24.4
380 3 6 4 41.657 83.314 0.431 3.07 8 81.0 13.5
381 4 2 3 41.686 83.371 0.432 3.07 8 17.0 0.6
382 2 8 1 41.721 83.442 0.432 3.06 8 4.4 0.0
383 0 6 14 41.763 83.526 0.432 3.06 4 34.7 1.2
384 0 8 9 41.768 83.536 0.432 3.06 4 65.5 4.4
385 3 4 10 41.792 83.583 0.433 3.06 8 22.9 1.1
386 2 7 8 41.822 83.644 0.433 3.05 8 33.0 2.2
387 3 5 8 41.865 83.73 0.433 3.05 8 104.2 22.2
388 1 3 17 41.903 83.806 0.434 3.05 8 110.0 24.7
389 2 8 2 41.944 83.888 0.434 3.04 8 6.1 0.1
390 4 1 5 41.959 83.917 0.434 3.04 8 27.7 1.6
391 1 8 8 41.979 83.959 0.434 3.04 8 64.1 8.4
392 3 0 13 42.033 84.066 0.435 3.04 4 17.7 0.3
393 1 5 15 42.033 84.067 0.435 3.04 8 15.8 0.5
394 1 1 18 42.061 84.121 0.435 3.03 8 76.8 12.0
395 2 6 11 42.088 84.175 0.435 3.03 8 16.5 0.6
396 4 2 4 42.206 84.412 0.436 3.02 8 42.3 3.6
397 2 5 13 42.295 84.59 0.437 3.01 8 8.2 0.1
398 2 8 3 42.316 84.631 0.437 3.01 8 113.7 26.1
399 3 6 5 42.326 84.652 0.437 3.01 8 3.8 0.0
400 3 1 13 42.338 84.676 0.437 3.01 8 66.3 8.9
401 2 2 16 42.347 84.694 0.437 3.01 8 1.4 0.0
402 1 9 0 42.415 84.83 0.438 3.0 4 47.9 2.3
403 4 0 6 42.47 84.941 0.438 3.0 4 9.3 0.1
404 1 9 1 42.489 84.978 0.438 3.0 8 21.1 0.9
405 4 3 0 42.543 85.087 0.439 2.99 4 17.5 0.3
406 0 4 17 42.566 85.131 0.439 2.99 4 78.6 6.2
407 4 3 1 42.618 85.235 0.44 2.98 8 29.6 1.8
408 1 9 2 42.712 85.423 0.44 2.98 8 12.6 0.3
409 4 1 6 42.775 85.55 0.441 2.97 8 53.4 5.7
410 2 8 4 42.835 85.669 0.441 2.97 8 4.0 0.0
411 4 3 2 42.84 85.68 0.441 2.97 8 18.0 0.6
412 4 2 5 42.874 85.747 0.442 2.96 8 24.6 1.2
413 3 3 12 42.922 85.844 0.442 2.96 8 68.0 9.2
414 1 2 18 42.975 85.951 0.442 2.96 8 7.0 0.1
415 1 9 3 43.082 86.164 0.443 2.95 8 26.4 1.4
416 2 7 9 43.083 86.167 0.443 2.95 8 16.0 0.5
417 3 5 9 43.126 86.252 0.444 2.94 8 20.2 0.8
418 3 6 6 43.141 86.283 0.444 2.94 8 10.1 0.2
419 0 8 10 43.178 86.356 0.444 2.94 4 7.1 0.0
420 4 3 3 43.21 86.421 0.444 2.94 8 30.0 1.8
421 1 6 14 43.235 86.47 0.445 2.94 8 15.0 0.4
422 1 8 9 43.24 86.48 0.445 2.94 8 0.5 0.0
423 3 2 13 43.252 86.504 0.445 2.94 8 84.6 14.1
424 1 7 12 43.341 86.681 0.446 2.93 8 20.0 0.8
425 3 4 11 43.349 86.698 0.446 2.93 8 110.7 24.0
426 2 8 5 43.501 87.002 0.447 2.92 8 24.4 1.2
427 1 9 4 43.6 87.2 0.448 2.91 8 45.4 4.0
428 4 2 6 43.688 87.376 0.448 2.9 8 2.9 0.0
429 2 4 15 43.704 87.407 0.448 2.9 8 6.5 0.1
430 4 3 4 43.728 87.457 0.449 2.9 8 21.0 0.9
431 4 1 7 43.738 87.475 0.449 2.9 8 59.9 7.0
432 2 6 12 43.792 87.584 0.449 2.9 8 50.2 4.9
433 2 3 16 43.869 87.738 0.45 2.89 8 11.1 0.2
434 2 1 17 43.878 87.756 0.45 2.89 8 39.4 3.0
435 0 6 15 43.913 87.825 0.45 2.89 4 46.4 2.1
436 1 4 17 44.035 88.069 0.451 2.88 8 26.7 1.4
437 3 6 7 44.103 88.206 0.452 2.88 8 1.0 0.0
438 0 2 19 44.245 88.49 0.453 2.87 4 37.7 1.4
439 1 9 5 44.266 88.532 0.453 2.87 8 14.9 0.4
440 2 5 14 44.294 88.589 0.453 2.87 8 3.7 0.0
441 2 8 6 44.315 88.629 0.453 2.87 8 64.7 8.0
442 1 5 16 44.329 88.659 0.454 2.86 8 8.1 0.1
443 3 1 14 44.337 88.674 0.454 2.86 8 30.9 1.8
444 4 3 5 44.394 88.788 0.454 2.86 8 22.0 0.9
445 3 7 0 44.43 88.861 0.454 2.86 4 158.9 24.2
446 2 7 10 44.489 88.978 0.455 2.86 8 16.8 0.5
447 1 3 18 44.495 88.991 0.455 2.85 8 109.3 22.8
448 1 0 19 44.496 88.993 0.455 2.85 4 26.6 0.7
449 3 7 1 44.504 89.008 0.455 2.85 8 128.2 31.4
450 3 5 10 44.532 89.063 0.455 2.85 8 55.4 5.9
451 4 0 8 44.543 89.086 0.455 2.85 4 31.6 1.0
452 1 8 10 44.645 89.291 0.456 2.85 8 26.5 1.3
453 4 2 7 44.649 89.298 0.456 2.85 8 169.4 54.7
454 4 4 0 44.672 89.345 0.456 2.85 4 160.1 24.4
455 3 7 2 44.726 89.452 0.457 2.84 8 0.4 0.0
456 0 8 11 44.731 89.462 0.457 2.84 4 0.1 0.0
457 4 4 1 44.746 89.493 0.457 2.84 8 3.4 0.0
458 3 3 13 44.771 89.543 0.457 2.84 8 104.1 20.6
459 2 2 17 44.789 89.579 0.457 2.84 8 22.6 1.0
460 1 1 19 44.8 89.6 0.457 2.84 8 95.1 17.2
461 4 1 8 44.846 89.693 0.458 2.84 8 55.3 5.8
462 4 4 2 44.968 89.936 0.459 2.83 8 18.9 0.7
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 2 4.119 8.238 10.724 255.5 25.2 26.2 5.6
2 0 0 4 8.259 16.519 5.362 85.2 8.4 8.7 5.6
3 0 2 0 8.373 16.745 5.29 15.1 1.5 1.5 5.6
4 0 2 1 8.625 17.251 5.13609 28.2 2.8 2.9 5.6
5 0 2 2 9.344 18.688 4.74419 85.9 8.5 8.7 5.6
6 1 1 1 10.335 20.669 4.29377 11.4 1.1 1.2 5.6
7 1 1 2 10.945 21.891 4.05681 17.1 1.7 1.7 5.6
8 1 0 3 11.121 22.241 3.9937 89.0 8.8 9.0 5.6
9 0 2 4 11.803 23.606 3.76579 101.1 10.0 10.2 5.6
10 1 1 3 11.897 23.795 3.73637 296.6 29.3 30.1 5.6
11 0 0 6 12.444 24.888 3.57467 119.4 11.8 12.1 5.6
12 1 2 1 12.667 25.334 3.51275 114.6 11.3 11.6 5.6
13 1 1 4 13.121 26.241 3.39329 692.1 68.3 70.0 5.6
14 1 2 2 13.175 26.351 3.37941 12.4 1.2 1.3 5.6
15 1 0 5 13.916 27.831 3.20291 17.5 1.7 1.8 5.6
16 1 2 3 13.985 27.97 3.18737 11.6 1.1 1.2 5.6
17 1 1 5 14.553 29.106 3.06552 194.7 19.2 19.7 5.6
18 1 2 4 15.051 30.102 2.96632 50.2 5.0 5.1 5.6
19 1 3 0 15.708 31.416 2.84514 301.8 29.8 30.4 5.6
20 1 3 1 15.849 31.698 2.82044 648.1 64.0 65.3 5.6
21 1 1 6 16.145 32.291 2.77005 585.9 57.8 59.0 5.6
22 1 3 2 16.266 32.532 2.75001 155.2 15.3 15.6 5.6
23 0 0 8 16.697 33.394 2.681 91.7 9.1 9.2 5.7
24 0 2 7 16.889 33.778 2.65137 305.5 30.2 30.7 5.7
25 1 3 3 16.941 33.882 2.6435 681.3 67.3 68.5 5.7
26 1 3 4 17.848 35.695 2.51325 905.2 89.4 90.9 5.7
27 0 4 3 18.09 36.18 2.48067 221.1 21.8 22.2 5.7
28 2 0 0 18.66 37.32 2.4075 109.5 10.8 11.0 5.7
29 1 3 5 18.958 37.916 2.37102 114.7 11.3 11.5 5.7
30 2 1 0 19.155 38.311 2.34749 90.0 8.9 9.0 5.7
31 2 1 1 19.274 38.548 2.33355 25.2 2.5 2.5 5.7
32 1 2 7 19.369 38.738 2.32254 317.0 31.3 31.7 5.7
33 1 4 0 19.406 38.813 2.31825 210.4 20.8 21.1 5.7
34 1 1 8 19.683 39.365 2.287 185.3 18.3 18.5 5.7
35 0 4 5 20.007 40.014 2.25141 25.4 2.5 2.5 5.7
36 2 1 3 20.204 40.408 2.23034 40.7 4.0 4.1 5.7
37 1 3 6 20.244 40.488 2.22611 43.7 4.3 4.4 5.7
38 2 1 4 20.99 41.979 2.15043 37.0 3.7 3.7 5.7
39 0 4 6 21.24 42.48 2.12623 21.2 2.1 2.1 5.7
40 1 1 9 21.588 43.175 2.09359 14.2 1.4 1.4 5.7
41 2 2 4 22.318 44.636 2.02841 35.5 3.5 3.5 5.7
42 2 2 5 23.249 46.499 1.95139 12.3 1.2 1.2 5.7
43 1 5 1 23.531 47.062 1.92934 10.8 1.1 1.1 5.7
44 1 1 10 23.568 47.137 1.92646 95.0 9.4 9.4 5.7
45 1 5 3 24.328 48.657 1.86977 48.4 4.8 4.8 5.7
46 1 2 10 24.788 49.575 1.83726 34.4 3.4 3.4 5.7
47 1 3 9 24.938 49.875 1.82691 15.6 1.5 1.5 5.7
48 1 5 4 25.01 50.021 1.82193 33.5 3.3 3.3 5.7
49 2 0 8 25.469 50.937 1.79127 40.0 3.9 3.9 5.8
50 0 0 12 25.529 51.058 1.78733 14.5 1.4 1.4 5.8
51 2 2 7 25.605 51.211 1.78235 1012.9 100.0 100.0 5.8
52 2 4 0 25.635 51.271 1.78042 354.3 35.0 35.0 5.8
53 0 4 9 25.79 51.579 1.77048 20.5 2.0 2.0 5.8
54 0 6 2 26.276 52.552 1.73997 18.3 1.8 1.8 5.8
55 2 4 3 26.478 52.956 1.72765 167.4 16.5 16.5 5.8
56 1 3 10 26.728 53.456 1.71267 104.4 10.3 10.3 5.8
57 1 5 6 26.889 53.778 1.70317 67.1 6.6 6.6 5.8
58 0 6 4 27.377 54.754 1.67508 163.5 16.1 16.1 5.8
59 1 1 12 27.738 55.476 1.65499 20.9 2.1 2.1 5.8
60 2 4 5 27.932 55.864 1.6444 20.5 2.0 2.0 5.8
61 1 5 7 28.062 56.125 1.63738 75.1 7.4 7.4 5.8
62 1 3 11 28.615 57.23 1.60837 111.4 11.0 10.9 5.8
63 2 4 6 28.903 57.807 1.59368 33.2 3.3 3.2 5.8
64 3 1 1 29.127 58.253 1.58252 34.4 3.4 3.4 5.8
65 0 2 13 29.279 58.558 1.57502 26.6 2.6 2.6 5.8
66 0 4 11 29.393 58.785 1.56947 153.3 15.1 15.0 5.8
67 2 5 3 29.767 59.535 1.55148 15.1 1.5 1.5 5.8
68 3 1 3 29.817 59.634 1.54914 51.3 5.1 5.0 5.8
69 3 2 1 30.186 60.373 1.53194 295.7 29.2 28.8 5.8
70 0 6 7 30.265 60.531 1.52831 382.7 37.8 37.3 5.8
71 2 5 4 30.364 60.728 1.52383 14.9 1.5 1.5 5.8
72 3 1 4 30.413 60.826 1.52161 44.2 4.4 4.3 5.8
73 1 3 12 30.594 61.188 1.51347 40.0 3.9 3.9 5.8
74 3 1 5 31.169 62.338 1.48828 11.5 1.1 1.1 5.8
75 3 2 4 31.446 62.892 1.47649 13.9 1.4 1.4 5.9
76 3 3 0 31.822 63.645 1.46083 20.1 2.0 1.9 5.9
77 3 3 1 31.905 63.81 1.45745 37.8 3.7 3.7 5.9
78 3 1 6 32.079 64.159 1.45036 33.6 3.3 3.3 5.9
79 1 7 0 32.287 64.573 1.44205 84.8 8.4 8.2 5.9
80 1 7 1 32.368 64.737 1.4388 102.3 10.1 9.9 5.9
81 3 3 3 32.56 65.12 1.43126 47.0 4.6 4.5 5.9
82 1 3 13 32.663 65.326 1.42724 75.0 7.4 7.3 5.9
83 2 5 7 33.091 66.182 1.41085 10.2 1.0 1.0 5.9
84 3 3 4 33.128 66.256 1.40946 81.4 8.0 7.9 5.9
85 2 6 4 34.07 68.14 1.375 49.8 4.9 4.8 5.9
86 3 2 7 34.126 68.251 1.37303 165.4 16.3 15.9 5.9
87 3 1 8 34.338 68.676 1.36557 17.3 1.7 1.7 5.9
88 0 6 10 34.438 68.876 1.3621 48.8 4.8 4.7 5.9
89 1 3 14 34.824 69.647 1.34888 29.7 2.9 2.9 5.9
90 3 4 3 34.863 69.726 1.34755 31.1 3.1 3.0 5.9
91 0 4 14 35.524 71.048 1.32568 17.0 1.7 1.6 5.9
92 2 4 11 35.865 71.729 1.31476 31.8 3.1 3.0 5.9
93 1 5 12 35.9 71.801 1.31362 13.6 1.3 1.3 5.9
94 2 0 14 36.581 73.162 1.2925 40.6 4.0 3.9 6.0
95 2 6 7 36.654 73.308 1.29028 34.7 3.4 3.3 6.0
96 2 1 14 36.898 73.796 1.28296 12.4 1.2 1.2 6.0
97 1 3 15 37.079 74.158 1.2776 44.4 4.4 4.2 6.0
98 3 1 10 37.145 74.289 1.27566 11.6 1.1 1.1 6.0
99 1 7 8 37.338 74.677 1.26999 11.8 1.2 1.1 6.0
100 1 5 13 37.825 75.651 1.25605 20.7 2.0 2.0 6.0
101 0 8 6 38.391 76.782 1.24034 14.6 1.4 1.4 6.0
102 3 1 11 38.745 77.49 1.23076 15.0 1.5 1.4 6.0
103 1 0 17 39.135 78.269 1.22045 11.8 1.2 1.1 6.0
104 3 3 10 39.641 79.282 1.20738 13.9 1.4 1.3 6.0
105 4 0 0 39.784 79.569 1.20375 92.5 9.1 8.7 6.0
106 1 8 6 39.889 79.777 1.20113 10.1 1.0 1.0 6.0
107 3 1 12 40.476 80.951 1.18665 12.1 1.2 1.1 6.1
108 2 6 10 40.522 81.045 1.18551 18.2 1.8 1.7 6.1
109 2 7 7 40.704 81.408 1.18114 13.8 1.4 1.3 6.1
110 3 5 7 40.747 81.494 1.18011 36.0 3.6 3.4 6.1
111 3 3 11 41.213 82.426 1.16911 26.9 2.7 2.5 6.1
112 2 4 14 41.553 83.106 1.16127 83.0 8.2 7.7 6.1
113 2 8 0 41.647 83.293 1.15913 37.9 3.7 3.5 6.1
114 3 5 8 41.865 83.73 1.15419 22.2 2.2 2.1 6.1
115 1 3 17 41.903 83.806 1.15334 24.7 2.4 2.3 6.1
116 1 1 18 42.061 84.121 1.14981 12.5 1.2 1.2 6.1
117 2 8 3 42.316 84.631 1.14419 35.0 3.5 3.3 6.1
118 3 2 13 43.252 86.504 1.12416 14.1 1.4 1.3 6.1
119 3 4 11 43.349 86.698 1.12213 24.0 2.4 2.2 6.1
120 3 7 0 44.43 88.861 1.10033 24.2 2.4 2.2 6.2
121 3 7 1 44.504 89.008 1.09889 61.8 6.1 5.7 6.2
122 4 4 0 44.672 89.345 1.09562 80.5 8.0 7.4 6.2
123 3 3 13 44.771 89.543 1.09371 38.8 3.8 3.6 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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