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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UMBITE
1, f-kostylevite
K(2)[Zr(0.8)Ti(0.2)]Si(3)O(9).H(2)O
Orthorhombic P 2(1)2(1)2(1) Z = 4
R =0.072 NR =1620
27 .4 .1994
Ref.Str.:
Iliushin G.D. (1993)
* Neorgan. material., 29, 7, 971-975
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.207 alpha = 90.0
b = 13.241 beta = 90.0
c = 7.174 gamma = 90.0
Unit cell volume (cub. angs.) = 969.57
Molar volume ( cub.cm/mol.) = 146.0
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.05 0.7097 0.26 0.0 Zr = 0.8 , Ti = 0.2
2 0.172 0.3277 0.5048 0.0 Si = 1.00
3 0.1376 0.3331 0.918 0.0 Si = 1.00
4 0.0328 0.4519 0.2304 0.0 Si = 1.00
5 0.0727 0.578 0.7123 0.0 K = 1.00
6 0.2093 0.8653 0.6496 0.0 K = 1.00
7 0.1682 0.6884 0.0417 0.0 O = 1.00
8 0.9857 0.5638 0.2694 0.0 O = 1.00
9 0.2086 0.687 0.4339 0.0 O = 1.00
10 0.1132 0.2302 0.4086 0.0 O = 1.00
11 0.0572 0.241 0.9996 0.0 O = 1.00
12 0.0792 0.8662 0.2446 0.0 O = 1.00
13 0.0999 0.3549 0.7001 0.0 O = 1.00
14 0.1559 0.4265 0.3729 0.0 O = 1.00
15 0.0949 0.4381 0.0184 0.0 O = 1.00
16 0.1814 0.0645 0.6278 0.0 H(2)O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.05 0.7097 0.26
2 2 0.172 0.3277 0.5048
3 3 0.1376 0.3331 0.918
4 4 0.0328 0.4519 0.2304
5 5 0.0727 0.578 0.7123
6 6 0.2093 0.8653 0.6496
7 7 0.1682 0.6884 0.0417
8 8 0.9857 0.5638 0.2694
9 9 0.2086 0.687 0.4339
10 10 0.1132 0.2302 0.4086
11 11 0.0572 0.241 0.9996
12 12 0.0792 0.8662 0.2446
13 13 0.0999 0.3549 0.7001
14 14 0.1559 0.4265 0.3729
15 15 0.0949 0.4381 0.0184
16 16 0.1814 0.0645 0.6278
17 1 0.45 0.2903 0.76
18 2 0.328 0.6723 0.0048
19 3 0.3624 0.6669 0.418
20 4 0.4672 0.5481 0.7304
21 5 0.4273 0.422 0.2123
22 6 0.2907 0.1347 0.1496
23 7 0.3318 0.3116 0.5417
24 8 0.5143 0.4362 0.7694
25 9 0.2914 0.313 0.9339
26 10 0.3868 0.7698 0.9086
27 11 0.4428 0.759 0.4996
28 12 0.4208 0.1338 0.7446
29 13 0.4001 0.6451 0.2001
30 14 0.3441 0.5735 0.8729
31 15 0.4051 0.5619 0.5184
32 16 0.3186 0.9355 0.1278
33 1 0.95 0.2097 0.24
34 2 0.828 0.8277 0.9952
35 3 0.8624 0.8331 0.582
36 4 0.9672 0.9519 0.2696
37 5 0.9273 0.078 0.7877
38 6 0.7907 0.3653 0.8504
39 7 0.8318 0.1884 0.4583
40 8 0.0143 0.0638 0.2306
41 9 0.7914 0.187 0.0661
42 10 0.8868 0.7302 0.0914
43 11 0.9428 0.741 0.5004
44 12 0.9208 0.3662 0.2554
45 13 0.9001 0.8549 0.7999
46 14 0.8441 0.9265 0.1271
47 15 0.9051 0.9381 0.4816
48 16 0.8186 0.5645 0.8722
49 1 0.55 0.7903 0.74
50 2 0.672 0.1723 0.4952
51 3 0.6376 0.1669 0.082
52 4 0.5328 0.0481 0.7696
53 5 0.5727 0.922 0.2877
54 6 0.7093 0.6347 0.3504
55 7 0.6682 0.8116 0.9583
56 8 0.4857 0.9362 0.7306
57 9 0.7086 0.813 0.5661
58 10 0.6132 0.2698 0.5914
59 11 0.5572 0.259 0.0004
60 12 0.5792 0.6338 0.7554
61 13 0.5999 0.1451 0.2999
62 14 0.6559 0.0735 0.6271
63 15 0.5949 0.0619 0.9816
64 16 0.6814 0.4355 0.3722
X-ray density (g/cm cub.) = 2.79
MU (1/cm) = 209.419 Mass attenuation coefficient (cm**2/g) = 75.131
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zr ,Ti 2.784 6
1.9969 7
2.0414 8
2.0658 9
2.0965 12
2.0764 10
2.0841 11
2 Si 2.268 4
1.5821 10
1.6231 13
1.6229 14
1.6661 7
3 Si 2.268 4
1.5822 11
1.6356 13
1.6253 15
1.5963 9
4 Si 2.268 4
1.5826 8
1.6544 14
1.6578 15
1.6207 12
5 K 3.396 9
2.9447 7
3.3045 8
2.8277 9
2.9684 13
3.2671 14
2.8818 15
3.0008 14
2.9542 11
2.8416 16
6 K 3.396 8
2.8228 9
3.1946 12
2.6575 16
2.8868 10
2.9697 11
3.3547 11
3.338 13
3.0296 8
7 O 3.432 8
2.9766 8
2.8438 9
2.9132 12
3.4017 15
2.6555 10
2.6875 13
2.6466 14
2.9467 10
8 O 3.432 8
2.9766 7
3.0381 9
2.6219 14
2.6935 15
2.7394 10
2.9057 11
2.7008 12
3.321 16
9 O 3.432 7
2.8438 7
3.0381 8
3.0363 12
2.6164 11
2.6347 13
2.671 15
2.8459 11
10 O 3.432 8
2.9927 11
2.6679 13
2.6479 14
2.7877 16
2.6555 7
2.9467 7
2.7394 8
2.8822 12
11 O 3.432 7
2.9927 10
2.661 13
2.6415 15
2.6164 9
2.9057 8
2.8459 9
2.838 12
12 O 3.432 8
2.9132 7
3.0363 9
2.7414 16
2.7008 8
2.8822 10
2.838 11
2.6658 14
2.6372 15
13 O 3.432 6
2.6679 10
2.661 11
2.5953 14
2.5359 15
2.6875 7
2.6347 9
14 O 3.432 7
2.6219 8
2.6479 10
2.5953 13
2.6228 15
2.6466 7
3.2823 15
2.6658 12
15 O 3.432 8
3.4017 7
2.6935 8
2.6415 11
2.5359 13
2.6228 14
2.671 9
3.2823 14
2.6372 12
16 H(2)O 3.6 4
2.7877 10
2.7414 12
3.321 8
3.4431 15
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 1 0 5.468 10.935 0.062 217.31 4 76.0 533.7
2 0 2 0 6.681 13.363 0.076 144.78 2 132.1 537.6
3 0 1 1 7.014 14.029 0.079 131.15 4 33.1 61.3
4 1 0 1 7.541 15.082 0.085 113.17 4 142.2 973.9
5 1 2 0 7.971 15.943 0.09 101.05 4 5.6 1.4
6 1 1 1 8.254 16.507 0.093 94.11 8 31.8 81.0
7 2 0 0 8.681 17.362 0.098 84.86 2 118.9 255.2
8 0 2 1 9.109 18.219 0.103 76.86 4 59.3 114.9
9 2 1 0 9.309 18.618 0.105 73.51 4 7.0 1.6
10 1 2 1 10.101 20.202 0.114 62.1 8 86.3 393.7
11 2 0 1 10.674 21.349 0.12 55.39 4 40.6 38.8
12 1 3 0 10.961 21.922 0.123 52.42 4 84.9 160.6
13 2 2 0 10.986 21.972 0.124 52.17 4 0.3 0.0
14 2 1 1 11.195 22.39 0.126 50.17 8 25.2 27.1
15 0 3 1 11.824 23.648 0.133 44.75 4 23.5 10.5
16 0 0 2 12.4 24.801 0.139 40.5 2 145.0 181.2
17 1 3 1 12.613 25.226 0.142 39.08 8 77.4 199.5
18 2 2 1 12.635 25.27 0.142 38.94 8 37.2 45.9
19 0 1 2 12.855 25.71 0.144 37.54 4 65.2 68.0
20 1 0 2 13.157 26.314 0.148 35.75 4 34.4 18.0
21 2 3 0 13.34 26.681 0.15 34.72 4 33.7 16.8
22 0 4 0 13.456 26.912 0.151 34.09 2 51.3 19.1
23 3 1 0 13.518 27.036 0.152 33.76 4 156.6 352.4
24 1 1 2 13.588 27.175 0.152 33.39 8 44.8 57.1
25 0 2 2 14.137 28.273 0.159 30.7 4 50.2 32.9
26 1 4 0 14.16 28.32 0.159 30.59 4 55.6 40.2
27 3 0 1 14.511 29.022 0.163 29.03 4 157.8 307.5
28 2 3 1 14.744 29.487 0.165 28.06 8 1.8 0.1
29 3 2 0 14.747 29.493 0.165 28.05 4 129.3 199.6
30 1 2 2 14.811 29.622 0.166 27.79 8 85.1 171.2
31 0 4 1 14.849 29.698 0.166 27.64 4 267.7 842.6
32 3 1 1 14.906 29.812 0.167 27.41 8 107.3 268.6
33 2 0 2 15.217 30.434 0.17 26.22 4 214.4 513.0
34 1 4 1 15.495 30.99 0.173 25.22 8 118.3 300.4
35 2 1 2 15.596 31.191 0.175 24.88 8 165.9 582.9
36 3 2 1 16.037 32.075 0.179 23.42 8 59.0 69.5
37 0 3 2 16.064 32.129 0.18 23.34 4 71.3 50.4
38 2 4 0 16.103 32.205 0.18 23.22 4 115.1 131.0
39 3 3 0 16.61 33.22 0.186 21.71 4 59.9 33.2
40 1 3 2 16.668 33.336 0.186 21.55 8 69.2 87.8
41 2 2 2 16.685 33.37 0.186 21.5 8 43.3 34.4
42 2 4 1 17.302 34.605 0.193 19.86 8 85.3 123.1
43 1 5 0 17.488 34.975 0.195 19.41 4 102.2 86.3
44 4 0 0 17.57 35.139 0.196 19.21 2 36.9 5.6
45 3 3 1 17.78 35.559 0.198 18.72 8 102.9 168.6
46 4 1 0 17.904 35.807 0.2 18.43 4 73.8 42.7
47 0 5 1 18.062 36.125 0.201 18.08 4 2.5 0.0
48 3 0 2 18.182 36.365 0.203 17.82 4 33.2 8.4
49 2 3 2 18.373 36.746 0.205 17.42 8 37.2 20.5
50 0 4 2 18.46 36.92 0.206 17.24 4 7.4 0.4
51 3 1 2 18.507 37.014 0.206 17.14 8 96.9 136.9
52 1 5 1 18.609 37.218 0.207 16.93 8 21.3 6.5
53 4 0 1 18.687 37.373 0.208 16.78 4 91.7 60.0
54 4 2 0 18.875 37.751 0.21 16.41 4 21.1 3.1
55 3 4 0 18.945 37.89 0.211 16.28 4 85.5 50.7
56 1 4 2 18.996 37.993 0.211 16.18 8 69.4 66.4
57 4 1 1 19.004 38.007 0.211 16.17 8 82.3 93.2
58 0 1 3 19.106 38.213 0.212 15.98 4 62.4 26.4
59 2 5 0 19.129 38.258 0.213 15.93 4 24.5 4.1
60 1 0 3 19.319 38.639 0.215 15.59 4 123.6 101.3
61 3 2 2 19.453 38.905 0.216 15.35 8 49.3 31.8
62 1 1 3 19.628 39.256 0.218 15.05 8 38.2 18.7
63 4 2 1 19.929 39.859 0.221 14.55 8 36.7 16.7
64 3 4 1 19.996 39.992 0.222 14.44 8 11.3 1.6
65 0 2 3 20.028 40.056 0.222 14.39 4 52.8 17.1
66 2 5 1 20.172 40.344 0.224 14.16 8 97.3 114.1
67 4 3 0 20.407 40.813 0.226 13.8 4 14.4 1.2
68 0 6 0 20.429 40.858 0.227 13.77 2 22.8 1.5
69 1 2 3 20.53 41.06 0.228 13.62 8 62.7 45.6
70 2 4 2 20.535 41.069 0.228 13.61 8 49.0 27.8
71 2 0 3 20.838 41.675 0.231 13.17 4 110.4 68.4
72 1 6 0 20.923 41.845 0.232 13.05 4 144.3 115.6
73 3 3 2 20.949 41.897 0.232 13.02 8 68.1 51.4
74 2 1 3 21.128 42.255 0.234 12.77 8 54.1 31.8
75 0 5 2 21.195 42.391 0.235 12.68 4 6.1 0.2
76 4 3 1 21.398 42.795 0.237 12.41 8 17.7 3.3
77 0 6 1 21.419 42.838 0.237 12.39 4 40.2 8.5
78 0 3 3 21.491 42.982 0.238 12.29 4 26.5 3.7
79 3 5 0 21.629 43.258 0.239 12.12 4 2.3 0.0
80 1 5 2 21.675 43.35 0.24 12.06 8 23.9 5.9
81 4 0 2 21.744 43.487 0.24 11.97 4 102.6 53.6
82 1 6 1 21.895 43.789 0.242 11.79 8 45.8 21.0
83 1 3 3 21.965 43.931 0.243 11.7 8 27.0 7.3
84 2 2 3 21.979 43.958 0.243 11.69 8 40.0 15.9
85 4 1 2 22.024 44.048 0.243 11.63 8 119.8 142.1
86 2 6 0 22.351 44.702 0.247 11.25 4 114.9 63.3
87 4 4 0 22.404 44.809 0.247 11.19 4 38.0 6.9
88 5 1 0 22.444 44.889 0.248 11.15 4 25.9 3.2
89 3 5 1 22.576 45.153 0.249 11.0 8 112.3 118.1
90 4 2 2 22.848 45.697 0.252 10.71 8 16.5 2.5
91 3 4 2 22.908 45.816 0.253 10.65 8 39.8 14.3
92 2 5 2 23.066 46.132 0.254 10.48 8 43.9 17.2
93 5 0 1 23.098 46.196 0.255 10.45 4 27.3 3.3
94 3 0 3 23.186 46.372 0.256 10.36 4 94.8 39.6
95 5 2 0 23.257 46.514 0.256 10.29 4 9.3 0.4
96 2 6 1 23.275 46.55 0.256 10.27 8 98.8 85.4
97 4 4 1 23.327 46.654 0.257 10.22 8 19.9 3.4
98 2 3 3 23.342 46.685 0.257 10.2 8 48.0 20.0
99 5 1 1 23.366 46.731 0.257 10.18 8 60.1 31.3
100 0 4 3 23.414 46.828 0.258 10.13 4 26.0 2.9
101 3 1 3 23.453 46.905 0.258 10.09 8 90.8 70.8
102 1 4 3 23.858 47.716 0.263 9.71 8 44.4 16.3
103 5 2 1 24.154 48.309 0.266 9.44 8 41.6 13.9
104 4 3 2 24.174 48.347 0.266 9.42 8 71.9 41.5
105 0 6 2 24.193 48.386 0.266 9.41 4 86.4 29.9
106 3 2 3 24.239 48.479 0.266 9.37 8 53.1 22.5
107 1 7 0 24.466 48.932 0.269 9.17 4 83.3 27.1
108 5 3 0 24.566 49.131 0.27 9.09 4 41.5 6.7
109 3 6 0 24.585 49.169 0.27 9.07 4 9.5 0.3
110 1 6 2 24.627 49.253 0.27 9.03 8 106.6 87.4
111 4 5 0 24.784 49.568 0.272 8.9 4 29.4 3.3
112 0 7 1 24.906 49.812 0.273 8.81 4 17.7 1.2
113 2 4 3 25.155 50.31 0.276 8.61 8 139.8 143.2
114 3 5 2 25.251 50.502 0.277 8.53 8 75.7 41.6
115 1 7 1 25.331 50.661 0.278 8.47 8 47.1 16.0
116 5 3 1 25.428 50.856 0.279 8.4 8 135.7 131.7
117 0 0 4 25.435 50.87 0.279 8.39 2 167.2 49.9
118 3 6 1 25.447 50.893 0.279 8.39 8 15.6 1.7
119 3 3 3 25.51 51.019 0.28 8.34 8 124.9 110.8
120 4 5 1 25.641 51.282 0.281 8.24 8 156.4 171.5
121 0 1 4 25.684 51.368 0.281 8.21 4 29.9 3.1
122 0 5 3 25.722 51.444 0.282 8.18 4 64.3 14.4
123 5 0 2 25.732 51.463 0.282 8.18 4 56.5 11.1
124 2 7 0 25.74 51.48 0.282 8.17 4 50.8 9.0
125 1 0 4 25.853 51.706 0.283 8.09 4 78.6 21.3
126 2 6 2 25.895 51.79 0.283 8.06 8 24.4 4.1
127 4 4 2 25.943 51.886 0.284 8.02 8 29.3 5.9
128 5 1 2 25.979 51.957 0.284 8.0 8 86.1 50.5
129 1 1 4 26.099 52.198 0.286 7.92 8 77.9 40.9
130 1 5 3 26.137 52.274 0.286 7.89 8 25.9 4.5
131 4 0 3 26.196 52.393 0.287 7.85 4 37.5 4.7
132 5 4 0 26.315 52.631 0.288 7.77 4 10.1 0.3
133 0 2 4 26.421 52.842 0.289 7.7 4 64.4 13.6
134 4 1 3 26.44 52.881 0.289 7.68 8 32.5 6.9
135 2 7 1 26.575 53.149 0.29 7.6 8 65.5 27.7
136 5 2 2 26.71 53.42 0.292 7.51 8 25.7 4.2
137 1 2 4 26.828 53.657 0.293 7.43 8 41.1 10.7
138 6 0 0 26.923 53.846 0.294 7.37 2 15.1 0.4
139 2 0 4 27.08 54.16 0.295 7.28 4 192.7 114.9
140 5 4 1 27.138 54.275 0.296 7.24 8 17.8 2.0
141 6 1 0 27.163 54.325 0.296 7.23 4 168.9 87.7
142 4 2 3 27.163 54.326 0.296 7.23 8 52.4 16.9
143 3 4 3 27.216 54.431 0.297 7.2 8 68.3 28.5
144 2 1 4 27.318 54.637 0.298 7.13 8 62.8 23.9
145 2 5 3 27.355 54.71 0.298 7.11 8 136.9 113.5
146 0 7 2 27.411 54.822 0.299 7.08 4 36.2 3.9
147 4 6 0 27.482 54.964 0.3 7.04 4 23.5 1.7
148 0 3 4 27.619 55.238 0.301 6.96 4 9.5 0.3
149 6 0 1 27.733 55.466 0.302 6.89 4 58.0 9.9
150 0 8 0 27.736 55.471 0.302 6.89 2 150.4 33.2
151 3 7 0 27.77 55.54 0.302 6.87 4 87.8 22.5
152 1 7 2 27.808 55.616 0.303 6.85 8 64.8 24.5
153 6 2 0 27.872 55.745 0.303 6.82 4 13.0 0.5
154 5 3 2 27.899 55.799 0.304 6.8 8 90.6 47.5
155 3 6 2 27.917 55.834 0.304 6.79 8 42.8 10.6
156 6 1 1 27.968 55.935 0.304 6.76 8 87.2 43.7
157 1 3 4 28.014 56.028 0.305 6.74 8 74.5 31.8
158 2 2 4 28.026 56.051 0.305 6.73 8 33.7 6.5
159 4 5 2 28.099 56.198 0.306 6.69 8 76.1 33.0
160 1 8 0 28.13 56.259 0.306 6.68 4 199.0 112.5
161 4 6 1 28.281 56.562 0.308 6.59 8 5.0 0.1
162 4 3 3 28.34 56.679 0.308 6.56 8 66.4 24.6
163 0 6 3 28.357 56.714 0.308 6.55 4 72.3 14.6
164 5 5 0 28.452 56.905 0.309 6.5 4 44.3 5.4
165 0 8 1 28.53 57.06 0.31 6.46 4 40.3 4.5
166 3 7 1 28.563 57.127 0.31 6.45 8 2.0 0.0
167 6 2 1 28.664 57.328 0.311 6.4 8 20.3 2.3
168 1 6 3 28.745 57.491 0.312 6.36 8 73.7 29.4
169 1 8 1 28.917 57.834 0.314 6.27 8 54.0 15.6
170 2 7 2 28.978 57.957 0.314 6.24 8 15.3 1.2
171 6 3 0 29.03 58.06 0.315 6.22 4 51.8 7.1
172 3 0 4 29.045 58.091 0.315 6.21 4 32.9 2.9
173 2 3 4 29.179 58.358 0.316 6.14 8 21.7 2.5
174 5 5 1 29.234 58.468 0.317 6.12 8 44.6 10.4
175 0 4 4 29.24 58.48 0.317 6.12 4 70.9 13.1
176 3 1 4 29.273 58.546 0.317 6.1 8 29.8 4.6
177 2 8 0 29.292 58.583 0.318 6.09 4 55.4 7.9
178 3 5 3 29.308 58.616 0.318 6.08 8 6.8 0.2
179 5 4 2 29.511 59.021 0.32 5.99 8 56.6 16.3
180 1 4 4 29.621 59.243 0.321 5.94 8 82.4 34.3
181 5 0 3 29.744 59.487 0.322 5.89 4 55.7 7.8
182 6 3 1 29.802 59.604 0.323 5.86 8 105.9 55.9
183 2 6 3 29.892 59.784 0.323 5.82 8 83.7 34.7
184 4 4 3 29.935 59.871 0.324 5.8 8 71.1 25.0
185 3 2 4 29.95 59.901 0.324 5.79 8 31.9 5.0
186 5 1 3 29.968 59.936 0.324 5.79 8 130.2 83.4
187 2 8 1 30.059 60.119 0.325 5.75 8 90.8 40.4
188 6 0 2 30.075 60.15 0.325 5.74 4 93.9 21.6
189 6 1 2 30.298 60.597 0.327 5.65 8 97.5 45.7
190 4 7 0 30.458 60.915 0.329 5.58 4 19.8 0.9
191 4 6 2 30.596 61.193 0.33 5.53 8 56.1 14.8
192 6 4 0 30.603 61.206 0.33 5.52 4 7.4 0.1
193 5 2 3 30.636 61.272 0.331 5.51 8 45.2 9.6
194 2 4 4 30.748 61.495 0.332 5.47 8 71.7 23.9
195 0 8 2 30.834 61.667 0.333 5.43 4 22.0 1.1
196 3 7 2 30.866 61.731 0.333 5.42 8 109.9 55.7
197 5 6 0 30.931 61.863 0.334 5.39 4 22.3 1.1
198 6 2 2 30.962 61.923 0.334 5.38 8 83.5 32.0
199 3 3 4 31.059 62.118 0.335 5.34 8 15.3 1.1
200 3 8 0 31.167 62.334 0.336 5.3 4 11.6 0.3
201 1 8 2 31.203 62.406 0.336 5.29 8 113.3 57.8
202 4 7 1 31.208 62.416 0.336 5.29 8 79.4 28.3
203 0 5 4 31.246 62.492 0.337 5.27 4 23.8 1.3
204 0 7 3 31.28 62.559 0.337 5.26 4 35.1 2.8
205 6 4 1 31.352 62.703 0.338 5.24 8 68.9 21.2
206 5 5 2 31.506 63.012 0.339 5.18 8 124.8 68.6
207 1 5 4 31.613 63.225 0.34 5.14 8 26.8 3.1
208 1 7 3 31.646 63.292 0.341 5.13 8 73.6 23.6
209 4 0 4 31.665 63.33 0.341 5.12 4 37.4 3.1
210 5 6 1 31.675 63.351 0.341 5.12 8 35.1 5.4
211 5 3 3 31.73 63.46 0.341 5.1 8 118.7 61.2
212 3 6 3 31.746 63.493 0.342 5.09 8 37.8 6.2
213 4 1 4 31.882 63.764 0.343 5.05 8 107.7 49.8
214 3 8 1 31.908 63.816 0.343 5.04 8 31.2 4.2
215 4 5 3 31.915 63.83 0.343 5.04 8 117.3 58.9
216 1 9 0 31.936 63.873 0.343 5.03 4 78.1 13.1
217 6 3 2 32.05 64.1 0.344 4.99 8 75.2 24.0
218 7 1 0 32.104 64.208 0.345 4.97 4 28.3 1.7
219 2 8 2 32.297 64.594 0.347 4.91 8 117.1 57.2
220 0 9 1 32.307 64.615 0.347 4.9 4 33.3 2.3
221 4 2 4 32.527 65.054 0.349 4.83 8 29.9 3.7
222 6 5 0 32.559 65.118 0.349 4.82 4 71.0 10.3
223 3 4 4 32.574 65.148 0.349 4.82 8 57.7 13.7
224 7 0 1 32.62 65.24 0.35 4.8 4 17.9 0.7
225 1 9 1 32.667 65.335 0.35 4.79 8 32.2 4.2
226 0 1 5 32.683 65.367 0.351 4.78 4 19.2 0.7
227 2 5 4 32.699 65.398 0.351 4.78 8 57.7 13.6
228 2 7 3 32.732 65.463 0.351 4.77 8 27.3 3.0
229 7 2 0 32.746 65.493 0.351 4.76 4 42.1 3.6
230 1 0 5 32.829 65.658 0.352 4.74 4 130.6 34.4
231 7 1 1 32.833 65.666 0.352 4.74 8 51.0 10.5
232 2 9 0 33.017 66.034 0.354 4.68 4 53.3 5.6
233 1 1 5 33.041 66.083 0.354 4.67 8 96.9 37.3
234 5 4 3 33.229 66.457 0.356 4.62 8 44.9 7.9
235 6 5 1 33.283 66.566 0.356 4.6 8 100.2 39.3
236 0 2 5 33.32 66.64 0.357 4.59 4 15.9 0.5
237 4 7 2 33.402 66.804 0.357 4.57 8 41.0 6.5
238 7 2 1 33.468 66.937 0.358 4.55 8 99.1 38.0
239 6 4 2 33.54 67.081 0.359 4.53 8 66.6 17.1
240 4 3 4 33.587 67.174 0.359 4.51 8 66.6 17.0
241 0 6 4 33.603 67.206 0.359 4.51 4 19.8 0.8
242 1 2 5 33.675 67.349 0.36 4.49 8 59.4 13.5
243 4 8 0 33.691 67.382 0.36 4.48 4 12.4 0.3
244 5 7 0 33.722 67.444 0.36 4.47 4 155.1 45.8
245 2 9 1 33.736 67.472 0.36 4.47 8 49.6 9.4
246 6 0 3 33.758 67.515 0.361 4.47 4 39.3 2.9
247 7 3 0 33.803 67.607 0.361 4.45 4 66.2 8.3
248 5 6 2 33.853 67.706 0.362 4.44 8 31.0 3.6
249 2 0 5 33.895 67.789 0.362 4.43 4 45.8 3.9
250 1 6 4 33.956 67.912 0.363 4.41 8 65.6 16.1
251 6 1 3 33.967 67.934 0.363 4.41 8 34.6 4.5
252 3 8 2 34.078 68.156 0.364 4.38 8 101.7 38.5
253 2 1 5 34.104 68.208 0.364 4.37 8 75.7 21.3
254 4 6 3 34.248 68.495 0.365 4.33 8 26.8 2.7
255 0 3 5 34.368 68.737 0.366 4.3 4 40.8 3.1
256 4 8 1 34.403 68.806 0.367 4.29 8 55.3 11.2
257 5 7 1 34.433 68.867 0.367 4.28 8 29.8 3.2
258 0 9 2 34.464 68.929 0.367 4.28 4 24.1 1.1
259 3 5 4 34.469 68.939 0.367 4.28 8 65.3 15.5
260 0 8 3 34.471 68.942 0.367 4.28 4 103.9 19.6
261 3 7 3 34.501 69.003 0.368 4.27 8 23.3 2.0
262 7 3 1 34.514 69.028 0.368 4.26 8 98.5 35.2
263 6 2 3 34.592 69.184 0.369 4.24 8 28.4 2.9
264 1 3 5 34.718 69.435 0.37 4.21 8 73.1 19.1
265 2 2 5 34.728 69.455 0.37 4.21 8 33.4 4.0
266 7 0 2 34.767 69.534 0.37 4.2 4 26.6 1.3
267 3 9 0 34.779 69.559 0.37 4.2 4 14.6 0.4
268 1 9 2 34.813 69.626 0.371 4.19 8 62.1 13.7
269 1 8 3 34.82 69.64 0.371 4.19 8 47.0 7.9
270 5 0 4 34.868 69.737 0.371 4.18 4 12.0 0.3
271 6 6 0 34.87 69.739 0.371 4.18 4 66.5 7.9
272 7 1 2 34.974 69.947 0.372 4.15 8 28.2 2.8
273 2 6 4 35.005 70.01 0.372 4.14 8 59.8 12.6
274 4 4 4 35.045 70.09 0.373 4.13 8 61.8 13.4
275 5 1 4 35.075 70.15 0.373 4.13 8 64.1 14.4
276 5 5 3 35.107 70.213 0.373 4.12 8 67.7 16.1
277 7 4 0 35.257 70.513 0.375 4.08 4 36.0 2.3
278 6 5 2 35.411 70.821 0.376 4.05 8 30.2 3.1
279 3 9 1 35.481 70.962 0.377 4.03 8 38.3 5.0
280 6 6 1 35.571 71.141 0.378 4.01 8 64.3 14.1
281 0 10 0 35.573 71.146 0.378 4.01 2 38.2 1.2
282 7 2 2 35.591 71.181 0.378 4.01 8 2.2 0.0
283 6 3 3 35.622 71.245 0.378 4.0 8 31.9 3.5
284 3 0 5 35.636 71.273 0.378 4.0 4 44.2 3.3
285 5 2 4 35.691 71.382 0.379 3.99 8 50.8 8.8
286 2 3 5 35.756 71.513 0.379 3.97 8 3.6 0.0
287 0 4 5 35.811 71.622 0.38 3.96 4 115.3 22.4
288 3 1 5 35.841 71.682 0.38 3.95 8 41.1 5.7
289 2 9 2 35.851 71.701 0.38 3.95 8 50.0 8.4
290 2 8 3 35.857 71.715 0.38 3.95 8 53.4 9.6
291 1 10 0 35.917 71.834 0.381 3.94 4 28.7 1.4
292 7 4 1 35.954 71.909 0.381 3.93 8 66.7 14.9
293 1 4 5 36.154 72.309 0.383 3.89 8 86.4 24.7
294 0 10 1 36.268 72.536 0.384 3.86 4 95.2 14.9
295 0 7 4 36.288 72.576 0.384 3.86 4 4.5 0.0
296 3 2 5 36.452 72.903 0.386 3.83 8 36.5 4.3
297 4 8 2 36.501 73.001 0.386 3.82 8 60.2 11.8
298 5 7 2 36.53 73.06 0.386 3.81 8 119.1 46.0
299 7 3 2 36.609 73.218 0.387 3.79 8 42.6 5.9
300 1 10 1 36.61 73.219 0.387 3.79 8 39.0 4.9
301 1 7 4 36.63 73.259 0.387 3.79 8 43.3 6.0
302 5 3 4 36.708 73.416 0.388 3.78 8 40.1 5.2
303 3 6 4 36.723 73.446 0.388 3.77 8 72.1 16.7
304 5 8 0 36.808 73.616 0.389 3.76 4 12.3 0.2
305 4 5 4 36.881 73.762 0.39 3.74 8 68.9 15.1
306 4 7 3 36.912 73.824 0.39 3.74 8 89.1 25.2
307 2 10 0 36.941 73.883 0.39 3.73 4 23.3 0.9
308 6 4 3 37.044 74.089 0.391 3.71 8 81.4 20.9
309 7 5 0 37.088 74.177 0.391 3.7 4 113.8 20.4
310 8 0 0 37.137 74.275 0.392 3.69 2 139.9 15.4
311 2 4 5 37.176 74.353 0.392 3.69 8 89.3 25.0
312 4 9 0 37.182 74.364 0.392 3.69 4 134.0 28.2
313 8 1 0 37.339 74.677 0.394 3.66 4 29.4 1.3
314 5 6 3 37.344 74.688 0.394 3.66 8 66.0 13.5
315 3 3 5 37.461 74.921 0.395 3.64 8 86.0 22.9
316 5 8 1 37.494 74.989 0.395 3.63 8 74.3 17.0
317 6 7 0 37.515 75.031 0.395 3.63 4 3.7 0.0
318 3 9 2 37.553 75.107 0.396 3.62 8 51.4 8.1
319 3 8 3 37.56 75.12 0.396 3.62 8 56.2 9.7
320 2 10 1 37.627 75.254 0.396 3.61 8 23.4 1.7
321 0 5 5 37.632 75.264 0.396 3.61 4 160.9 39.7
322 6 6 2 37.641 75.282 0.396 3.6 8 51.1 8.0
323 2 7 4 37.647 75.293 0.396 3.6 8 23.2 1.7
324 7 5 1 37.773 75.545 0.398 3.58 8 44.3 6.0
325 8 0 1 37.821 75.643 0.398 3.57 4 28.9 1.3
326 4 9 1 37.866 75.732 0.398 3.57 8 53.8 8.8
327 0 9 3 37.931 75.863 0.399 3.56 4 16.2 0.4
328 8 2 0 37.94 75.88 0.399 3.55 4 50.8 3.9
329 1 5 5 37.969 75.938 0.399 3.55 8 71.5 15.4
330 7 4 2 38.017 76.033 0.4 3.54 8 23.1 1.6
331 4 0 5 38.017 76.035 0.4 3.54 4 12.7 0.2
332 8 1 1 38.021 76.042 0.4 3.54 8 48.3 7.0
333 5 4 4 38.115 76.229 0.401 3.53 8 16.7 0.8
334 6 7 1 38.197 76.394 0.401 3.51 8 47.8 6.8
335 4 1 5 38.217 76.434 0.402 3.51 8 59.1 10.4
336 7 0 3 38.223 76.446 0.402 3.51 4 0.5 0.0
337 1 9 3 38.267 76.535 0.402 3.5 8 33.2 3.3
338 0 10 2 38.324 76.648 0.403 3.49 4 34.7 1.8
339 7 1 3 38.422 76.844 0.403 3.48 8 27.3 2.2
340 6 0 4 38.615 77.23 0.405 3.45 4 46.9 3.2
341 8 2 1 38.619 77.238 0.405 3.45 8 31.1 2.8
342 3 10 0 38.626 77.253 0.405 3.44 4 13.9 0.3
343 1 10 2 38.659 77.318 0.405 3.44 8 50.5 7.5
344 6 1 4 38.814 77.627 0.407 3.42 8 28.7 2.4
345 4 2 5 38.814 77.628 0.407 3.42 8 26.2 2.0
346 6 5 3 38.844 77.688 0.407 3.41 8 71.7 14.9
347 3 4 5 38.858 77.715 0.407 3.41 8 68.0 13.4
348 8 3 0 38.936 77.871 0.408 3.4 4 108.6 17.1
349 2 5 5 38.974 77.948 0.408 3.39 8 82.9 19.9
350 7 2 3 39.018 78.036 0.409 3.39 8 68.1 13.4
351 4 6 4 39.08 78.16 0.409 3.38 8 41.2 4.9
352 2 9 3 39.27 78.54 0.411 3.35 8 66.3 12.5
353 7 6 0 39.284 78.567 0.411 3.35 4 107.6 16.5
354 0 8 4 39.293 78.585 0.411 3.35 4 95.9 13.1
355 3 10 1 39.302 78.604 0.411 3.35 8 22.6 1.5
356 3 7 4 39.321 78.643 0.411 3.34 8 126.2 45.3
357 6 2 4 39.408 78.816 0.412 3.33 8 9.9 0.3
358 5 8 2 39.528 79.057 0.413 3.32 8 15.9 0.7
359 8 3 1 39.61 79.219 0.414 3.31 8 14.0 0.6
360 1 8 4 39.625 79.25 0.414 3.3 8 107.6 32.5
361 2 10 2 39.659 79.317 0.414 3.3 8 90.0 22.7
362 7 5 2 39.802 79.604 0.416 3.28 8 38.5 4.1
363 4 3 5 39.803 79.606 0.416 3.28 8 45.4 5.8
364 0 6 5 39.818 79.635 0.416 3.28 4 126.6 22.3
365 8 0 2 39.85 79.7 0.416 3.27 4 73.5 7.5
366 4 9 2 39.894 79.788 0.416 3.27 8 98.3 26.9
367 5 5 4 39.899 79.798 0.416 3.27 8 76.4 16.2
368 4 8 3 39.901 79.801 0.416 3.27 8 47.5 6.3
369 5 7 3 39.929 79.858 0.417 3.26 8 37.0 3.8
370 7 6 1 39.956 79.912 0.417 3.26 8 58.0 9.3
371 7 3 3 40.006 80.011 0.417 3.25 8 71.0 14.0
372 8 1 2 40.047 80.094 0.418 3.25 8 40.7 4.6
373 0 0 6 40.108 80.215 0.418 3.24 2 87.9 5.3
374 1 11 0 40.117 80.233 0.418 3.24 4 95.8 12.6
375 1 6 5 40.149 80.298 0.419 3.24 8 7.8 0.2
376 5 9 0 40.193 80.386 0.419 3.23 4 78.4 8.5
377 6 7 2 40.22 80.44 0.419 3.23 8 47.7 6.3
378 0 1 6 40.304 80.609 0.42 3.22 4 86.8 10.3
379 8 4 0 40.317 80.634 0.42 3.22 4 8.9 0.1
380 6 3 4 40.393 80.786 0.421 3.21 8 62.9 10.8
381 1 0 6 40.438 80.877 0.421 3.2 4 10.0 0.1
382 0 11 1 40.456 80.911 0.421 3.2 4 7.2 0.1
383 6 8 0 40.49 80.98 0.421 3.2 4 53.9 3.9
384 2 8 4 40.618 81.237 0.423 3.18 8 59.1 9.4
385 3 5 5 40.633 81.266 0.423 3.18 8 21.2 1.2
386 1 1 6 40.635 81.27 0.423 3.18 8 41.0 4.6
387 8 2 2 40.637 81.273 0.423 3.18 8 65.7 11.7
388 1 11 1 40.786 81.571 0.424 3.16 8 29.9 2.4
389 5 9 1 40.862 81.724 0.425 3.15 8 48.1 6.2
390 0 2 6 40.893 81.786 0.425 3.15 4 47.8 3.1
391 3 9 3 40.926 81.852 0.425 3.15 8 21.9 1.3
392 4 10 0 40.95 81.899 0.425 3.14 4 18.0 0.4
393 8 4 1 40.985 81.971 0.426 3.14 8 95.0 24.1
394 5 0 5 41.01 82.021 0.426 3.14 4 71.1 6.7
395 6 6 3 41.011 82.023 0.426 3.14 8 29.8 2.4
396 2 11 0 41.107 82.215 0.427 3.13 4 117.3 18.3
397 2 6 5 41.139 82.279 0.427 3.12 8 57.8 8.9
398 6 8 1 41.158 82.315 0.427 3.12 8 28.3 2.1
399 4 4 5 41.177 82.355 0.427 3.12 8 12.5 0.4
400 5 1 5 41.206 82.412 0.428 3.12 8 55.0 8.0
401 1 2 6 41.222 82.445 0.428 3.11 8 39.2 4.1
402 3 10 2 41.311 82.622 0.429 3.11 8 47.8 6.0
403 7 4 3 41.379 82.757 0.429 3.1 8 39.6 4.1
404 2 0 6 41.427 82.855 0.43 3.09 4 116.1 17.7
405 8 3 2 41.615 83.23 0.431 3.07 8 97.6 24.9
406 4 10 1 41.616 83.231 0.431 3.07 8 38.9 4.0
407 2 1 6 41.623 83.245 0.431 3.07 8 41.2 4.4
408 4 7 4 41.635 83.27 0.431 3.07 8 30.6 2.4
409 0 10 3 41.68 83.359 0.432 3.07 4 57.9 4.4
410 6 4 4 41.763 83.526 0.432 3.06 8 9.9 0.3
411 2 11 1 41.773 83.546 0.432 3.06 8 47.5 5.9
412 5 2 5 41.792 83.584 0.433 3.06 8 76.7 15.3
413 7 7 0 41.836 83.671 0.433 3.05 4 77.7 7.9
414 0 3 6 41.87 83.741 0.433 3.05 4 9.5 0.1
415 7 6 2 41.958 83.916 0.434 3.04 8 70.6 12.9
416 1 10 3 42.008 84.016 0.434 3.04 8 54.9 7.8
417 5 6 4 42.054 84.107 0.435 3.03 8 54.3 7.6
418 8 5 0 42.078 84.156 0.435 3.03 4 24.7 0.8
419 1 3 6 42.198 84.397 0.436 3.02 8 39.5 4.0
420 2 2 6 42.208 84.416 0.436 3.02 8 28.8 2.1
421 3 8 4 42.263 84.526 0.437 3.01 8 60.3 9.3
422 0 7 5 42.363 84.726 0.437 3.01 4 56.0 4.0
423 0 11 2 42.453 84.906 0.438 3.0 4 11.1 0.2
424 7 7 1 42.5 84.999 0.439 2.99 8 19.7 1.0
425 0 9 4 42.624 85.248 0.44 2.98 4 65.0 5.4
426 1 7 5 42.69 85.381 0.44 2.98 8 32.1 2.6
427 8 5 1 42.741 85.483 0.441 2.97 8 49.9 6.3
428 3 11 0 42.748 85.497 0.441 2.97 4 31.0 1.2
429 5 3 5 42.766 85.532 0.441 2.97 8 78.0 15.4
430 1 11 2 42.78 85.561 0.441 2.97 8 44.0 4.9
431 3 6 5 42.78 85.561 0.441 2.97 8 44.7 5.0
432 5 9 2 42.856 85.712 0.441 2.97 8 49.6 6.2
433 5 8 3 42.862 85.724 0.442 2.96 8 47.5 5.7
434 7 0 4 42.908 85.816 0.442 2.96 4 25.1 0.8
435 4 5 5 42.932 85.864 0.442 2.96 8 64.7 10.6
436 1 9 4 42.951 85.902 0.442 2.96 8 20.8 1.1
437 9 1 0 42.975 85.95 0.442 2.96 4 29.4 1.1
438 8 4 2 42.979 85.957 0.443 2.96 8 28.2 2.0
439 2 10 3 42.991 85.981 0.443 2.95 8 37.1 3.5
440 3 0 6 43.067 86.133 0.443 2.95 4 69.1 6.0
441 7 1 4 43.102 86.204 0.444 2.95 8 73.2 13.4
442 7 5 3 43.132 86.264 0.444 2.94 8 20.6 1.1
443 6 8 2 43.15 86.299 0.444 2.94 8 48.7 5.9
444 8 0 3 43.179 86.358 0.444 2.94 4 60.7 4.6
445 2 3 6 43.181 86.361 0.444 2.94 8 49.6 6.2
446 4 9 3 43.223 86.445 0.445 2.94 8 58.2 8.5
447 0 4 6 43.233 86.465 0.445 2.94 4 59.0 4.3
448 3 1 6 43.261 86.522 0.445 2.93 8 7.4 0.1
449 8 1 3 43.373 86.747 0.446 2.93 8 74.7 13.9
450 3 11 1 43.411 86.821 0.446 2.92 8 94.4 22.2
451 9 0 1 43.443 86.885 0.446 2.92 4 81.9 8.3
452 6 5 4 43.515 87.029 0.447 2.92 8 36.9 3.4
453 6 7 3 43.544 87.089 0.447 2.91 8 88.6 19.5
454 9 2 0 43.558 87.116 0.447 2.91 4 58.1 4.2
455 1 4 6 43.56 87.119 0.447 2.91 8 59.6 8.8
456 4 10 2 43.605 87.209 0.448 2.91 8 22.4 1.2
457 9 1 1 43.637 87.273 0.448 2.91 8 42.0 4.4
458 2 7 5 43.671 87.343 0.448 2.91 8 69.6 12.0
459 7 2 4 43.685 87.37 0.448 2.9 8 58.7 8.5
460 2 11 2 43.761 87.522 0.449 2.9 8 26.7 1.8
461 6 9 0 43.805 87.609 0.449 2.9 4 43.1 2.3
462 3 2 6 43.843 87.687 0.45 2.89 8 50.2 6.2
463 5 10 0 43.899 87.799 0.45 2.89 4 29.6 1.1
464 2 9 4 43.932 87.863 0.45 2.89 8 67.1 11.1
465 8 2 3 43.956 87.912 0.451 2.89 8 18.8 0.9
466 5 4 5 44.125 88.251 0.452 2.88 8 39.9 3.9
467 8 6 0 44.216 88.432 0.453 2.87 4 27.5 0.9
468 9 2 1 44.219 88.438 0.453 2.87 8 76.9 14.4
469 0 12 0 44.274 88.547 0.453 2.87 2 32.9 0.7
470 6 9 1 44.466 88.931 0.455 2.86 8 50.7 6.3
471 7 7 2 44.484 88.969 0.455 2.86 8 93.9 21.4
472 9 3 0 44.528 89.056 0.455 2.85 4 38.6 1.8
473 2 4 6 44.539 89.078 0.455 2.85 8 8.4 0.2
474 4 8 4 44.551 89.102 0.455 2.85 8 38.4 3.6
475 5 10 1 44.56 89.121 0.455 2.85 8 30.6 2.3
476 5 7 4 44.579 89.159 0.456 2.85 8 91.6 20.4
477 1 12 0 44.6 89.2 0.456 2.85 4 1.2 0.0
478 6 0 5 44.612 89.225 0.456 2.85 4 7.0 0.1
479 3 10 3 44.624 89.247 0.456 2.85 8 40.6 4.0
480 7 3 4 44.655 89.309 0.456 2.85 8 79.7 15.4
481 8 5 2 44.725 89.451 0.457 2.84 8 52.9 6.8
482 7 8 0 44.751 89.501 0.457 2.84 4 62.9 4.8
483 6 1 5 44.806 89.613 0.457 2.84 8 54.3 7.1
484 3 3 6 44.813 89.627 0.457 2.84 8 22.5 1.2
485 8 6 1 44.877 89.753 0.458 2.83 8 45.3 4.9
486 8 3 3 44.926 89.851 0.458 2.83 8 57.6 8.0
487 0 12 1 44.934 89.869 0.458 2.83 4 1.0 0.0
488 0 5 6 44.979 89.958 0.459 2.83 4 69.3 5.8
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 1 0 5.468 10.935 8.08393 533.7 54.8 54.9 5.6
2 0 2 0 6.681 13.363 6.6205 537.6 55.2 55.3 5.6
3 0 1 1 7.014 14.029 6.30768 61.3 6.3 6.3 5.6
4 1 0 1 7.541 15.082 5.8693 973.9 100.0 100.0 5.6
5 1 1 1 8.254 16.507 5.36577 81.0 8.3 8.3 5.6
6 2 0 0 8.681 17.362 5.1035 255.2 26.2 26.2 5.6
7 0 2 1 9.109 18.219 4.86533 114.9 11.8 11.8 5.6
8 1 2 1 10.101 20.202 4.3919 393.7 40.4 40.3 5.6
9 2 0 1 10.674 21.349 4.15858 38.8 4.0 4.0 5.6
10 1 3 0 10.961 21.922 4.05114 160.7 16.5 16.4 5.6
11 2 1 1 11.195 22.39 3.96751 27.1 2.8 2.8 5.6
12 0 3 1 11.824 23.648 3.75919 10.5 1.1 1.1 5.6
13 0 0 2 12.4 24.801 3.587 181.2 18.6 18.5 5.6
14 1 3 1 12.613 25.226 3.52756 245.4 25.2 25.0 5.6
15 0 1 2 12.855 25.71 3.46221 68.0 7.0 6.9 5.6
16 1 0 2 13.157 26.314 3.38411 18.0 1.9 1.8 5.6
17 2 3 0 13.34 26.681 3.33839 16.8 1.7 1.7 5.6
18 0 4 0 13.456 26.912 3.31025 19.1 2.0 1.9 5.6
19 3 1 0 13.518 27.036 3.29529 352.4 36.2 35.9 5.6
20 1 1 2 13.588 27.175 3.27872 57.1 5.9 5.8 5.6
21 1 4 0 14.16 28.32 3.1488 73.1 7.5 7.4 5.6
22 3 0 1 14.511 29.022 3.07413 307.5 31.6 31.3 5.6
23 3 2 0 14.747 29.493 3.02612 199.6 20.5 20.3 5.6
24 1 2 2 14.811 29.622 3.01328 171.2 17.6 17.4 5.6
25 0 4 1 14.849 29.698 3.0057 842.6 86.5 85.6 5.6
26 3 1 1 14.906 29.812 2.99449 268.6 27.6 27.3 5.6
27 2 0 2 15.217 30.434 2.93465 513.0 52.7 52.1 5.6
28 1 4 1 15.495 30.99 2.88329 300.4 30.8 30.5 5.6
29 2 1 2 15.596 31.191 2.86512 582.9 59.9 59.2 5.6
30 3 2 1 16.037 32.075 2.78821 119.9 12.3 12.2 5.6
31 2 4 0 16.103 32.205 2.7772 131.0 13.4 13.3 5.6
32 3 3 0 16.61 33.22 2.69464 33.2 3.4 3.4 5.6
33 1 3 2 16.668 33.336 2.68556 122.1 12.5 12.4 5.7
34 2 4 1 17.302 34.605 2.58991 123.1 12.6 12.5 5.7
35 1 5 0 17.488 34.975 2.56333 86.3 8.9 8.7 5.7
36 3 3 1 17.78 35.559 2.52257 168.6 17.3 17.0 5.7
37 4 1 0 17.904 35.807 2.50565 42.7 4.4 4.3 5.7
38 2 3 2 18.373 36.746 2.44377 20.5 2.1 2.1 5.7
39 3 1 2 18.507 37.014 2.4267 136.9 14.1 13.8 5.7
40 4 0 1 18.687 37.373 2.40419 60.0 6.2 6.1 5.7
41 3 4 0 18.945 37.89 2.37259 50.7 5.2 5.1 5.7
42 4 1 1 19.004 38.007 2.36551 159.6 16.4 16.1 5.7
43 0 1 3 19.106 38.213 2.35326 30.5 3.1 3.1 5.7
44 1 0 3 19.319 38.639 2.32829 101.3 10.4 10.2 5.7
45 3 2 2 19.453 38.905 2.31297 31.8 3.3 3.2 5.7
46 1 1 3 19.628 39.256 2.29311 18.7 1.9 1.9 5.7
47 4 2 1 19.929 39.859 2.2598 16.7 1.7 1.7 5.7
48 0 2 3 20.028 40.056 2.24911 17.1 1.8 1.7 5.7
49 2 5 1 20.172 40.344 2.23374 114.1 11.7 11.5 5.7
50 1 2 3 20.53 41.06 2.19642 73.5 7.5 7.4 5.7
51 2 0 3 20.838 41.675 2.16541 68.4 7.0 6.9 5.7
52 1 6 0 20.923 41.845 2.15699 167.0 17.2 16.8 5.7
53 2 1 3 21.128 42.255 2.13702 31.8 3.3 3.2 5.7
54 0 6 1 21.419 42.838 2.10929 11.8 1.2 1.2 5.7
55 4 0 2 21.744 43.487 2.07929 53.6 5.5 5.4 5.7
56 1 6 1 21.895 43.789 2.06565 21.0 2.2 2.1 5.7
57 2 2 3 21.979 43.958 2.05812 23.2 2.4 2.3 5.7
58 4 1 2 22.024 44.048 2.05412 142.1 14.6 14.2 5.7
59 2 6 0 22.351 44.702 2.02557 63.3 6.5 6.3 5.7
60 3 5 1 22.576 45.153 2.00639 118.1 12.1 11.8 5.7
61 3 4 2 22.908 45.816 1.97887 14.3 1.5 1.4 5.7
62 2 5 2 23.066 46.132 1.96605 17.2 1.8 1.7 5.7
63 3 0 3 23.186 46.372 1.95643 39.6 4.1 4.0 5.7
64 2 6 1 23.275 46.55 1.94936 85.4 8.8 8.5 5.7
65 5 1 1 23.366 46.731 1.94222 54.7 5.6 5.5 5.7
66 3 1 3 23.453 46.905 1.93542 70.8 7.3 7.1 5.7
67 1 4 3 23.858 47.716 1.9044 16.3 1.7 1.6 5.7
68 4 3 2 24.174 48.347 1.88101 85.3 8.8 8.5 5.7
69 3 2 3 24.239 48.479 1.87622 22.5 2.3 2.2 5.7
70 1 7 0 24.466 48.932 1.8599 27.1 2.8 2.7 5.7
71 1 6 2 24.627 49.253 1.84852 87.4 9.0 8.7 5.7
72 2 4 3 25.155 50.31 1.81213 143.2 14.7 14.3 5.8
73 3 5 2 25.251 50.502 1.80569 41.6 4.3 4.1 5.8
74 1 7 1 25.331 50.661 1.80038 16.0 1.6 1.6 5.8
75 5 3 1 25.428 50.856 1.79395 183.3 18.8 18.2 5.8
76 3 3 3 25.51 51.019 1.78859 110.8 11.4 11.0 5.8
77 4 5 1 25.641 51.282 1.78005 171.5 17.6 17.0 5.8
78 0 5 3 25.722 51.444 1.77481 34.5 3.5 3.4 5.8
79 1 0 4 25.853 51.706 1.76644 21.3 2.2 2.1 5.8
80 5 1 2 25.979 51.957 1.75848 50.5 5.2 5.0 5.8
81 1 1 4 26.099 52.198 1.75093 40.9 4.2 4.1 5.8
82 0 2 4 26.421 52.842 1.7311 20.5 2.1 2.0 5.8
83 2 7 1 26.575 53.149 1.72182 27.7 2.8 2.7 5.8
84 1 2 4 26.828 53.657 1.70673 10.7 1.1 1.1 5.8
85 2 0 4 27.08 54.16 1.69206 114.9 11.8 11.4 5.8
86 4 2 3 27.163 54.326 1.68727 106.6 10.9 10.6 5.8
87 3 4 3 27.216 54.431 1.68426 28.5 2.9 2.8 5.8
88 2 1 4 27.318 54.637 1.67841 23.9 2.5 2.4 5.8
89 2 5 3 27.355 54.71 1.67634 113.5 11.7 11.2 5.8
90 0 8 0 27.736 55.471 1.65512 43.0 4.4 4.3 5.8
91 3 7 0 27.77 55.54 1.65324 22.5 2.3 2.2 5.8
92 1 7 2 27.808 55.616 1.65114 24.5 2.5 2.4 5.8
93 5 3 2 27.899 55.799 1.64618 58.1 6.0 5.7 5.8
94 6 1 1 27.968 55.935 1.64248 43.7 4.5 4.3 5.8
95 1 3 4 28.014 56.028 1.63997 38.3 3.9 3.8 5.8
96 4 5 2 28.099 56.198 1.63542 33.0 3.4 3.3 5.8
97 1 8 0 28.13 56.259 1.63378 112.5 11.6 11.1 5.8
98 4 3 3 28.34 56.679 1.62268 39.2 4.0 3.9 5.8
99 1 6 3 28.745 57.491 1.60168 29.4 3.0 2.9 5.8
100 1 8 1 28.917 57.834 1.593 15.6 1.6 1.5 5.8
101 6 3 0 29.03 58.06 1.58734 10.0 1.0 1.0 5.8
102 0 4 4 29.24 58.48 1.57692 23.4 2.4 2.3 5.8
103 2 8 0 29.292 58.583 1.5744 12.6 1.3 1.2 5.8
104 5 4 2 29.511 59.021 1.56375 16.3 1.7 1.6 5.8
105 1 4 4 29.621 59.243 1.55843 34.3 3.5 3.4 5.8
106 6 3 1 29.802 59.604 1.54986 55.9 5.7 5.5 5.8
107 2 6 3 29.892 59.784 1.54561 34.7 3.6 3.4 5.8
108 4 4 3 29.935 59.871 1.54357 30.0 3.1 2.9 5.8
109 5 1 3 29.968 59.936 1.54205 83.4 8.6 8.2 5.8
110 2 8 1 30.059 60.119 1.5378 61.9 6.4 6.1 5.8
111 6 1 2 30.298 60.597 1.52681 45.7 4.7 4.5 5.8
112 4 6 2 30.596 61.193 1.51336 14.9 1.5 1.5 5.8
113 2 4 4 30.748 61.495 1.50664 23.9 2.5 2.3 5.8
114 3 7 2 30.866 61.731 1.50144 55.7 5.7 5.5 5.8
115 6 2 2 30.962 61.923 1.49724 32.0 3.3 3.1 5.8
116 1 8 2 31.203 62.406 1.48682 86.1 8.8 8.4 5.8
117 6 4 1 31.352 62.703 1.48049 21.2 2.2 2.1 5.8
118 5 5 2 31.506 63.012 1.47398 68.6 7.0 6.7 5.9
119 1 7 3 31.646 63.292 1.46813 26.7 2.7 2.6 5.9
120 5 3 3 31.73 63.46 1.46463 67.4 6.9 6.6 5.9
121 4 1 4 31.882 63.764 1.4584 54.0 5.5 5.3 5.9
122 4 5 3 31.915 63.83 1.45704 72.0 7.4 7.0 5.9
123 6 3 2 32.05 64.1 1.45156 24.0 2.5 2.3 5.9
124 2 8 2 32.297 64.594 1.44165 59.5 6.1 5.8 5.9
125 3 4 4 32.574 65.148 1.43072 24.0 2.5 2.3 5.9
126 2 5 4 32.699 65.398 1.42585 13.6 1.4 1.3 5.9
127 1 0 5 32.829 65.658 1.42083 44.9 4.6 4.4 5.9
128 1 1 5 33.041 66.083 1.41272 43.0 4.4 4.2 5.9
129 6 5 1 33.283 66.566 1.40363 39.3 4.0 3.8 5.9
130 7 2 1 33.468 66.937 1.39676 38.0 3.9 3.7 5.9
131 6 4 2 33.54 67.081 1.39411 17.1 1.8 1.7 5.9
132 4 3 4 33.587 67.174 1.39239 17.8 1.8 1.7 5.9
133 1 2 5 33.675 67.349 1.3892 13.8 1.4 1.3 5.9
134 5 7 0 33.722 67.444 1.38749 55.1 5.7 5.4 5.9
135 1 6 4 33.956 67.912 1.37906 20.6 2.1 2.0 5.9
136 3 8 2 34.078 68.156 1.37471 59.9 6.1 5.8 5.9
137 4 8 1 34.403 68.806 1.3633 11.2 1.1 1.1 5.9
138 0 8 3 34.471 68.942 1.36094 36.2 3.7 3.5 5.9
139 7 3 1 34.514 69.028 1.35946 37.2 3.8 3.6 5.9
140 1 3 5 34.718 69.435 1.35248 23.1 2.4 2.2 5.9
141 1 9 2 34.813 69.626 1.34923 21.6 2.2 2.1 5.9
142 2 6 4 35.005 70.01 1.34278 12.6 1.3 1.2 5.9
143 4 4 4 35.045 70.09 1.34144 13.4 1.4 1.3 5.9
144 5 1 4 35.075 70.15 1.34044 14.4 1.5 1.4 5.9
145 5 5 3 35.107 70.213 1.33939 16.1 1.7 1.6 5.9
146 6 6 1 35.571 71.141 1.32417 15.4 1.6 1.5 5.9
147 0 4 5 35.811 71.622 1.31646 22.4 2.3 2.2 5.9
148 2 8 3 35.857 71.715 1.31499 23.7 2.4 2.3 5.9
149 7 4 1 35.954 71.909 1.31192 14.9 1.5 1.4 5.9
150 1 4 5 36.154 72.309 1.30564 24.7 2.5 2.4 5.9
151 0 10 1 36.268 72.536 1.30211 14.9 1.5 1.4 5.9
152 5 7 2 36.53 73.06 1.29405 57.7 5.9 5.5 6.0
153 1 7 4 36.63 73.259 1.29103 16.8 1.7 1.6 6.0
154 3 6 4 36.723 73.446 1.2882 21.8 2.2 2.1 6.0
155 4 5 4 36.881 73.762 1.28347 15.1 1.6 1.5 6.0
156 4 7 3 36.912 73.824 1.28255 26.1 2.7 2.5 6.0
157 6 4 3 37.044 74.089 1.27861 20.9 2.2 2.0 6.0
158 7 5 0 37.088 74.177 1.27732 20.4 2.1 2.0 6.0
159 8 0 0 37.137 74.275 1.27587 15.4 1.6 1.5 6.0
160 4 9 0 37.182 74.364 1.27455 53.2 5.5 5.1 6.0
161 5 6 3 37.344 74.688 1.26983 14.9 1.5 1.4 6.0
162 3 3 5 37.461 74.921 1.26646 22.9 2.4 2.2 6.0
163 5 8 1 37.494 74.989 1.26549 17.1 1.8 1.6 6.0
164 3 8 3 37.56 75.12 1.2636 17.9 1.8 1.7 6.0
165 6 6 2 37.641 75.282 1.26128 51.1 5.2 4.9 6.0
166 1 5 5 37.969 75.938 1.25201 19.3 2.0 1.8 6.0
167 4 1 5 38.217 76.434 1.24511 17.3 1.8 1.6 6.0
168 6 5 3 38.844 77.688 1.22812 28.3 2.9 2.7 6.0
169 8 3 0 38.936 77.871 1.22569 17.1 1.8 1.6 6.0
170 2 5 5 38.974 77.948 1.22468 19.9 2.0 1.9 6.0
171 7 2 3 39.018 78.036 1.22351 13.4 1.4 1.3 6.0
172 3 7 4 39.321 78.643 1.21558 88.9 9.1 8.4 6.0
173 1 8 4 39.625 79.25 1.20779 32.5 3.3 3.1 6.0
174 2 10 2 39.659 79.317 1.20693 22.7 2.3 2.2 6.0
175 0 6 5 39.818 79.635 1.20291 32.2 3.3 3.1 6.0
176 4 9 2 39.894 79.788 1.20099 49.4 5.1 4.7 6.0
177 7 6 1 39.956 79.912 1.19944 13.1 1.3 1.2 6.0
178 7 3 3 40.006 80.011 1.1982 14.0 1.4 1.3 6.0
179 1 11 0 40.117 80.233 1.19544 18.0 1.8 1.7 6.0
180 5 9 0 40.193 80.386 1.19356 14.7 1.5 1.4 6.0
181 0 1 6 40.304 80.609 1.19082 10.4 1.1 1.0 6.1
182 6 3 4 40.393 80.786 1.18866 10.8 1.1 1.0 6.1
183 8 2 2 40.637 81.273 1.18276 26.9 2.8 2.5 6.1
184 8 4 1 40.985 81.971 1.17445 33.2 3.4 3.1 6.1
185 2 11 0 41.107 82.215 1.17158 18.3 1.9 1.7 6.1
186 2 6 5 41.139 82.279 1.17083 11.0 1.1 1.0 6.1
187 5 1 5 41.206 82.412 1.16927 12.1 1.2 1.1 6.1
188 2 0 6 41.427 82.855 1.16414 17.7 1.8 1.7 6.1
189 8 3 2 41.615 83.23 1.15985 35.7 3.7 3.4 6.1
190 5 2 5 41.792 83.584 1.15583 21.2 2.2 2.0 6.1
191 7 6 2 41.958 83.916 1.15211 12.9 1.3 1.2 6.1
192 5 3 5 42.766 85.532 1.13442 32.8 3.4 3.1 6.1
193 5 9 2 42.856 85.712 1.13251 11.9 1.2 1.1 6.1
194 4 5 5 42.932 85.864 1.13088 11.6 1.2 1.1 6.1
195 7 1 4 43.102 86.204 1.12729 14.5 1.5 1.4 6.1
196 6 8 2 43.15 86.299 1.1263 10.6 1.1 1.0 6.1
197 4 9 3 43.223 86.445 1.12477 12.8 1.3 1.2 6.1
198 8 1 3 43.373 86.747 1.12163 13.9 1.4 1.3 6.1
199 3 11 1 43.411 86.821 1.12086 22.2 2.3 2.1 6.1
200 6 7 3 43.544 87.089 1.1181 35.9 3.7 3.3 6.1
201 2 7 5 43.671 87.343 1.11551 20.5 2.1 1.9 6.2
202 2 9 4 43.932 87.863 1.11024 11.9 1.2 1.1 6.2
203 9 2 1 44.219 88.438 1.1045 14.4 1.5 1.3 6.2
204 7 7 2 44.484 88.969 1.09928 27.7 2.8 2.6 6.2
205 5 7 4 44.579 89.159 1.09743 28.2 2.9 2.6 6.2
206 7 3 4 44.655 89.309 1.09596 15.4 1.6 1.4 6.2
207 8 5 2 44.725 89.451 1.0946 11.5 1.2 1.1 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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