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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KAOLINITE
3, f-kaolinite-halloysite, sf-kaolinite
Al(2)Si(2)O(5)(OH)(4)
Monoclinic C c Z = 4
R =0.067 NR =1301
17 .4 .1996
Ref.Str.:
Toraya H., Iwai S., Marumo F. (1980)
* Mineral. J. (Japan), 10, 4, 168-180
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.92 alpha = 90.0
b = 5.157 beta = 113.61
c = 15.684 gamma = 90.0
Unit cell volume (cub. angs.) = 661.08
Molar volume ( cub.cm/mol.) = 99.55
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.146 0.327 0.228 0.0 Al = 1.00
2 0.489 0.33 0.227 0.0 Al = 1.00
3 0.199 0.493 0.047 0.0 Si = 1.00
4 0.364 0.999 0.042 0.0 Si = 1.00
5 0.243 0.778 0.007 0.0 O = 1.00
6 0.248 0.268 0.996 0.0 O = 1.00
7 0.013 0.451 0.009 0.0 O = 1.00
8 0.272 0.436 0.157 0.0 O = 1.00
9 0.428 0.031 0.155 0.0 O = 1.00
10 0.108 0.007 0.163 0.0 OH = 1.00
11 0.536 0.649 0.296 0.0 OH = 1.00
12 0.179 0.645 0.289 0.0 OH = 1.00
13 0.368 0.198 0.306 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.146 0.327 0.228
2 2 0.489 0.33 0.227
3 3 0.199 0.493 0.047
4 4 0.364 0.999 0.042
5 5 0.243 0.778 0.007
6 6 0.248 0.268 0.996
7 7 0.013 0.451 0.009
8 8 0.272 0.436 0.157
9 9 0.428 0.031 0.155
10 10 0.108 0.007 0.163
11 11 0.536 0.649 0.296
12 12 0.179 0.645 0.289
13 13 0.368 0.198 0.306
14 1 0.146 0.673 0.728
15 2 0.489 0.67 0.727
16 3 0.199 0.507 0.547
17 4 0.364 0.001 0.542
18 5 0.243 0.222 0.507
19 6 0.248 0.732 0.496
20 7 0.013 0.549 0.509
21 8 0.272 0.564 0.657
22 9 0.428 0.969 0.655
23 10 0.108 0.993 0.663
24 11 0.536 0.351 0.796
25 12 0.179 0.355 0.789
26 13 0.368 0.802 0.806
27 1 0.646 0.173 0.728
28 2 0.989 0.17 0.727
29 3 0.699 0.007 0.547
30 4 0.864 0.501 0.542
31 5 0.743 0.722 0.507
32 6 0.748 0.232 0.496
33 7 0.513 0.049 0.509
34 8 0.772 0.064 0.657
35 9 0.928 0.469 0.655
36 10 0.608 0.493 0.663
37 11 0.036 0.851 0.796
38 12 0.679 0.855 0.789
39 13 0.868 0.302 0.806
40 1 0.646 0.827 0.228
41 2 0.989 0.83 0.227
42 3 0.699 0.993 0.047
43 4 0.864 0.499 0.042
44 5 0.743 0.278 0.007
45 6 0.748 0.768 0.996
46 7 0.513 0.951 0.009
47 8 0.772 0.936 0.157
48 9 0.928 0.531 0.155
49 10 0.608 0.507 0.163
50 11 0.036 0.149 0.296
51 12 0.679 0.145 0.289
52 13 0.868 0.698 0.306
X-ray density (g/cm cub.) = 2.59
MU (1/cm) = 77.63 Mass attenuation coefficient (cm**2/g) = 29.939
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Al 2.364 6
1.9549 8
1.8975 10
1.8617 12
1.9799 13
2.1013 9
1.9445 11
2 Al 2.364 6
1.8838 8
1.8592 9
1.9209 11
2.0578 13
1.9547 10
1.8461 12
3 Si 2.148 4
1.7044 5
1.5676 6
1.5371 7
1.6084 8
4 Si 2.148 4
1.5135 5
1.7081 6
1.6382 9
1.6268 7
5 O 3.312 7
2.5344 6
2.6373 6
2.6656 7
2.8679 8
2.5972 9
3.0997 11
2.5567 7
6 O 3.312 7
2.6373 5
2.5344 5
2.3809 7
2.5961 8
2.6614 9
3.0854 12
2.8135 7
7 O 3.312 8
2.6656 5
2.3809 6
2.5369 8
3.1867 10
3.0169 13
2.5567 5
2.8135 6
2.7165 9
8 O 3.312 11
2.8679 5
2.5961 6
2.5369 7
2.5168 9
3.3061 10
2.6746 10
2.7189 11
2.7407 12
2.4694 13
3.0951 9
2.9832 10
9 O 3.312 11
2.5972 5
2.6614 6
2.5168 8
2.9096 10
2.8272 11
2.7663 13
2.7165 7
3.0951 8
2.9083 10
3.12 10
2.4508 12
10 OH 3.36 11
3.3453 5
3.1867 7
2.6746 8
3.3061 8
2.9096 9
2.6056 12
2.6856 13
2.9832 8
3.12 9
2.9083 9
2.5245 11
11 OH 3.36 10
2.7189 8
2.8272 9
3.1421 12
3.2364 13
2.805 13
3.0997 5
2.5245 10
2.8799 12
2.9166 12
2.9132 13
12 OH 3.36 10
2.7407 8
2.6056 10
3.1421 11
3.269 13
2.8048 13
3.0854 6
2.4508 9
2.9166 11
2.8799 11
2.9041 13
13 OH 3.36 10
2.4694 8
2.7663 9
2.6856 10
2.805 11
3.2364 11
2.8048 12
3.269 12
3.0169 7
2.9132 11
2.9041 12
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 6.154 12.308 0.07 171.07 2 123.7 1198.2
2 1 1 -1 9.977 19.955 0.112 63.71 4 64.2 240.4
3 2 0 -2 10.113 20.227 0.114 61.95 2 104.7 310.7
4 1 1 0 10.173 20.345 0.115 61.21 4 67.5 255.4
5 1 1 -2 10.719 21.437 0.121 54.92 4 94.0 444.3
6 2 0 0 10.864 21.729 0.122 53.39 2 48.7 58.0
7 1 1 1 11.258 22.515 0.127 49.58 4 42.9 83.7
8 1 1 -3 12.235 24.469 0.138 41.66 4 35.2 47.3
9 0 0 4 12.38 24.76 0.139 40.64 2 175.8 574.9
10 2 0 -4 12.805 25.61 0.144 37.85 2 96.9 162.5
11 1 1 2 13.023 26.045 0.146 36.53 4 68.0 154.7
12 1 1 -4 14.296 28.591 0.16 29.97 4 47.6 62.0
13 2 0 2 14.561 29.121 0.163 28.82 2 112.2 166.1
14 1 1 3 15.25 30.5 0.171 26.1 4 40.5 39.2
15 1 1 -5 16.721 33.443 0.187 21.4 4 18.0 6.4
16 0 2 0 17.381 34.763 0.194 19.67 2 42.6 16.3
17 3 1 -2 17.403 34.807 0.194 19.61 4 53.9 52.1
18 2 0 -6 17.497 34.994 0.195 19.38 2 31.9 9.0
19 3 1 -3 17.626 35.251 0.197 19.08 4 39.1 26.6
20 0 2 1 17.668 35.336 0.197 18.98 4 60.1 62.7
21 3 1 -1 17.754 35.507 0.198 18.78 4 31.4 17.0
22 1 1 4 17.789 35.579 0.198 18.69 4 66.8 76.4
23 3 1 -4 18.402 36.804 0.205 17.35 4 133.7 284.0
24 0 2 2 18.505 37.009 0.206 17.14 4 130.7 268.1
25 3 1 0 18.648 37.297 0.208 16.85 4 132.4 270.6
26 0 0 6 18.759 37.519 0.209 16.64 2 101.5 78.4
27 1 1 -6 19.401 38.801 0.216 15.44 4 67.2 63.9
28 3 1 -5 19.677 39.353 0.219 14.97 4 59.6 48.6
29 2 0 4 19.721 39.441 0.219 14.89 2 14.8 1.5
30 0 2 3 19.832 39.663 0.22 14.71 4 46.4 29.0
31 3 1 1 20.025 40.05 0.222 14.4 4 60.9 48.9
32 2 2 -1 20.228 40.456 0.224 14.08 4 9.5 1.2
33 2 2 -2 20.274 40.549 0.225 14.0 4 25.4 8.3
34 4 0 -2 20.376 40.752 0.226 13.85 2 26.1 4.3
35 1 1 5 20.552 41.105 0.228 13.59 4 16.7 3.5
36 4 0 -4 20.56 41.12 0.228 13.57 2 43.1 11.5
37 2 2 0 20.685 41.369 0.229 13.39 4 22.3 6.1
38 2 2 -3 20.821 41.642 0.231 13.2 4 11.7 1.6
39 3 1 -6 21.375 42.75 0.237 12.44 4 62.4 44.4
40 0 2 4 21.574 43.148 0.239 12.19 4 70.0 54.7
41 2 2 1 21.618 43.236 0.239 12.13 4 24.3 6.5
42 3 1 2 21.808 43.617 0.241 11.89 4 71.4 55.5
43 2 2 -4 21.837 43.675 0.241 11.86 4 31.1 10.5
44 4 0 0 22.146 44.293 0.245 11.49 2 54.9 15.9
45 1 1 -7 22.272 44.543 0.246 11.34 4 18.2 3.5
46 4 0 -6 22.66 45.319 0.25 10.91 2 39.2 7.7
47 2 2 2 22.982 45.964 0.253 10.57 4 57.4 31.9
48 2 0 -8 23.157 46.315 0.255 10.39 2 67.8 21.9
49 2 2 -5 23.274 46.548 0.256 10.27 4 27.4 7.0
50 3 1 -7 23.425 46.85 0.258 10.12 4 113.0 118.2
51 1 1 6 23.491 46.983 0.259 10.06 4 12.5 1.4
52 0 2 5 23.661 47.322 0.261 9.89 4 113.0 115.7
53 3 1 3 23.929 47.858 0.263 9.64 4 95.3 80.2
54 2 2 3 24.722 49.443 0.271 8.96 4 35.2 10.2
55 2 2 -6 25.077 50.154 0.275 8.67 4 63.0 31.5
56 1 1 -8 25.304 50.608 0.277 8.49 4 39.5 12.1
57 0 0 8 25.391 50.782 0.278 8.43 2 92.1 32.7
58 4 0 2 25.546 51.093 0.28 8.31 2 61.3 14.3
59 2 0 6 25.659 51.319 0.281 8.23 2 51.4 10.0
60 3 1 -8 25.769 51.538 0.282 8.15 4 69.6 36.1
61 0 2 6 26.036 52.072 0.285 7.96 4 61.6 27.6
62 4 0 -8 26.313 52.626 0.288 7.77 2 78.8 22.1
63 3 1 4 26.333 52.666 0.288 7.76 4 59.1 24.8
64 1 1 7 26.586 53.171 0.291 7.59 4 21.5 3.2
65 2 2 4 26.787 53.573 0.293 7.46 4 44.7 13.6
66 1 3 -1 27.169 54.338 0.296 7.22 4 20.5 2.8
67 4 2 -3 27.18 54.359 0.297 7.22 4 25.0 4.1
68 2 2 -7 27.197 54.393 0.297 7.21 4 40.4 10.8
69 5 1 -4 27.232 54.464 0.297 7.19 4 42.9 12.1
70 5 1 -3 27.241 54.481 0.297 7.18 4 38.9 9.9
71 1 3 0 27.252 54.503 0.297 7.17 4 61.3 24.7
72 4 2 -2 27.308 54.616 0.298 7.14 4 51.4 17.3
73 4 2 -4 27.455 54.911 0.299 7.05 4 57.5 21.3
74 1 3 -2 27.49 54.98 0.3 7.03 4 23.7 3.6
75 5 1 -5 27.626 55.253 0.301 6.95 4 43.6 12.1
76 5 1 -2 27.652 55.303 0.301 6.94 4 77.7 38.3
77 1 3 1 27.736 55.472 0.302 6.89 4 19.7 2.5
78 4 2 -1 27.836 55.672 0.303 6.84 4 20.9 2.7
79 4 2 -5 28.127 56.254 0.306 6.68 4 5.6 0.2
80 1 3 -3 28.206 56.412 0.307 6.63 4 54.6 18.1
81 3 1 -9 28.364 56.729 0.308 6.55 4 83.6 41.9
82 5 1 -6 28.412 56.824 0.309 6.53 4 46.4 12.9
83 5 1 -1 28.453 56.906 0.309 6.5 4 33.3 6.6
84 1 1 -9 28.486 56.972 0.31 6.49 4 26.0 4.0
85 1 3 2 28.608 57.215 0.311 6.43 4 73.7 32.0
86 0 2 7 28.659 57.318 0.311 6.4 4 70.1 28.8
87 4 2 0 28.75 57.5 0.312 6.35 4 39.9 9.3
88 3 1 5 28.981 57.962 0.315 6.24 4 93.8 50.2
89 2 2 5 29.136 58.271 0.316 6.17 4 53.4 16.1
90 4 2 -6 29.177 58.354 0.316 6.15 4 40.9 9.4
91 1 3 -4 29.297 58.595 0.318 6.09 4 80.2 35.8
92 2 0 -10 29.46 58.921 0.319 6.01 2 16.5 0.7
93 5 1 -7 29.569 59.137 0.32 5.96 4 30.4 5.1
94 2 2 -8 29.594 59.188 0.321 5.95 4 58.3 18.5
95 5 1 0 29.625 59.25 0.321 5.94 4 22.0 2.6
96 1 1 8 29.829 59.659 0.323 5.85 4 37.5 7.5
97 1 3 3 29.845 59.691 0.323 5.84 4 28.0 4.2
98 4 2 1 30.027 60.054 0.325 5.76 4 38.6 7.9
99 4 0 4 30.186 60.372 0.326 5.69 2 65.1 11.0
100 4 2 -7 30.581 61.161 0.33 5.53 4 37.8 7.2
101 1 3 -5 30.74 61.48 0.332 5.47 4 9.6 0.5
102 5 1 -8 31.072 62.143 0.335 5.34 4 44.4 9.6
103 5 1 1 31.142 62.284 0.336 5.31 4 24.5 2.9
104 4 0 -10 31.148 62.296 0.336 5.31 2 46.8 5.3
105 3 3 -2 31.173 62.347 0.336 5.3 4 189.6 174.5
106 3 1 -10 31.187 62.373 0.336 5.3 4 115.4 64.6
107 6 0 -4 31.216 62.432 0.336 5.29 2 196.5 93.4
108 3 3 -3 31.317 62.634 0.337 5.25 4 13.9 0.9
109 3 3 -1 31.401 62.801 0.338 5.22 4 10.2 0.5
110 1 3 4 31.424 62.848 0.338 5.21 4 6.5 0.2
111 0 2 8 31.506 63.013 0.339 5.18 4 125.9 75.2
112 4 2 2 31.642 63.283 0.341 5.13 4 54.2 13.8
113 2 2 6 31.74 63.48 0.341 5.1 4 79.1 29.2
114 6 0 -6 31.788 63.577 0.342 5.08 2 81.2 15.3
115 1 1 -10 31.821 63.643 0.342 5.07 4 34.6 5.5
116 3 3 -4 31.829 63.658 0.342 5.06 4 74.2 25.6
117 3 1 6 31.852 63.705 0.343 5.06 4 106.0 52.0
118 3 3 0 31.994 63.989 0.344 5.01 4 85.3 33.4
119 6 0 -2 32.119 64.238 0.345 4.97 2 112.6 28.8
120 2 0 8 32.211 64.422 0.346 4.94 2 42.6 4.1
121 2 2 -9 32.243 64.486 0.346 4.92 4 50.9 11.7
122 4 2 -8 32.313 64.625 0.347 4.9 4 61.8 17.1
123 0 0 10 32.411 64.822 0.348 4.87 2 69.0 10.6
124 1 3 -6 32.508 65.016 0.349 4.84 4 30.5 4.1
125 3 3 -5 32.7 65.4 0.351 4.78 4 7.2 0.2
126 5 1 -9 32.896 65.792 0.353 4.72 4 35.4 5.4
127 3 3 1 32.944 65.888 0.353 4.7 4 17.2 1.3
128 5 1 2 32.98 65.959 0.353 4.69 4 52.7 11.9
129 1 1 9 33.23 66.461 0.356 4.62 4 23.9 2.4
130 1 3 5 33.319 66.637 0.357 4.59 4 26.1 2.9
131 4 2 3 33.57 67.14 0.359 4.52 4 9.8 0.4
132 6 0 -8 33.795 67.59 0.361 4.45 2 60.7 7.5
133 3 3 -6 33.915 67.83 0.362 4.42 4 75.1 22.8
134 3 1 -11 34.225 68.449 0.365 4.34 4 91.9 33.5
135 3 3 2 34.234 68.469 0.365 4.34 4 70.6 19.8
136 4 2 -9 34.351 68.702 0.366 4.31 4 36.2 5.2
137 6 0 0 34.434 68.868 0.367 4.28 2 62.0 7.5
138 0 2 9 34.569 69.138 0.368 4.25 4 87.0 29.4
139 1 3 -7 34.58 69.16 0.368 4.25 4 24.0 2.2
140 2 2 7 34.584 69.168 0.368 4.25 4 48.6 9.2
141 3 1 7 34.939 69.878 0.372 4.16 4 77.5 22.8
142 5 1 -10 35.021 70.041 0.373 4.14 4 12.2 0.6
143 5 1 3 35.117 70.233 0.373 4.12 4 33.0 4.1
144 2 2 -10 35.13 70.261 0.374 4.11 4 47.5 8.5
145 1 1 -11 35.323 70.646 0.375 4.07 4 36.2 4.9
146 3 3 -7 35.458 70.917 0.377 4.04 4 9.2 0.3
147 1 3 6 35.51 71.019 0.377 4.03 4 50.0 9.2
148 4 2 4 35.793 71.585 0.38 3.96 4 12.2 0.5
149 4 0 6 35.828 71.656 0.38 3.96 2 61.2 6.8
150 3 3 3 35.85 71.699 0.38 3.95 4 7.4 0.2
151 2 0 -12 36.398 72.796 0.385 3.84 2 17.6 0.5
152 4 2 -10 36.678 73.356 0.388 3.78 4 33.9 4.0
153 0 4 0 36.688 73.377 0.388 3.78 2 66.0 7.5
154 6 2 -4 36.741 73.482 0.388 3.77 4 78.7 21.4
155 1 1 10 36.807 73.613 0.389 3.76 4 24.6 2.1
156 6 2 -5 36.835 73.67 0.389 3.75 4 30.4 3.2
157 0 4 1 36.86 73.72 0.389 3.75 4 26.1 2.3
158 1 3 -8 36.94 73.879 0.39 3.73 4 39.4 5.3
159 4 0 -12 36.964 73.929 0.39 3.73 2 78.9 10.6
160 6 2 -3 36.99 73.979 0.391 3.72 4 29.3 2.9
161 6 0 -10 37.124 74.247 0.392 3.7 2 53.6 4.9
162 6 2 -6 37.272 74.543 0.393 3.67 4 127.0 54.2
163 3 3 -8 37.315 74.631 0.393 3.66 4 61.0 12.5
164 0 4 2 37.373 74.746 0.394 3.65 4 116.6 45.4
165 5 1 -11 37.431 74.862 0.395 3.64 4 26.1 2.3
166 3 1 -12 37.481 74.963 0.395 3.63 4 112.5 42.1
167 5 1 4 37.539 75.078 0.396 3.62 4 33.0 3.6
168 6 2 -2 37.579 75.158 0.396 3.62 4 130.5 56.4
169 2 2 8 37.665 75.33 0.397 3.6 4 51.5 8.8
170 3 3 4 37.776 75.552 0.398 3.58 4 64.3 13.6
171 0 2 10 37.852 75.703 0.398 3.57 4 108.8 38.6
172 1 3 7 37.984 75.968 0.399 3.55 4 15.2 0.7
173 6 0 2 38.044 76.089 0.4 3.54 2 69.2 7.8
174 6 2 -7 38.046 76.091 0.4 3.54 4 49.4 7.9
175 0 4 3 38.223 76.446 0.402 3.51 4 56.0 10.1
176 3 1 8 38.247 76.493 0.402 3.5 4 109.1 38.2
177 2 2 -11 38.255 76.511 0.402 3.5 4 44.6 6.4
178 4 2 5 38.298 76.596 0.402 3.5 4 39.6 5.0
179 2 4 -1 38.485 76.97 0.404 3.47 4 38.0 4.6
180 6 2 -1 38.503 77.006 0.404 3.46 4 43.1 5.9
181 7 1 -5 38.512 77.023 0.404 3.46 4 39.5 4.9
182 2 4 -2 38.516 77.032 0.404 3.46 4 31.4 3.1
183 5 3 -4 38.521 77.041 0.404 3.46 4 70.2 15.6
184 5 3 -3 38.528 77.056 0.404 3.46 4 10.9 0.4
185 7 1 -4 38.657 77.313 0.405 3.44 4 39.4 4.9
186 7 1 -6 38.704 77.408 0.406 3.43 4 46.8 6.9
187 2 4 0 38.792 77.583 0.407 3.42 4 55.0 9.5
188 5 3 -5 38.851 77.702 0.407 3.41 4 19.8 1.2
189 5 3 -2 38.872 77.745 0.407 3.41 4 17.6 1.0
190 2 4 -3 38.884 77.768 0.407 3.41 4 70.2 15.4
191 1 1 -12 39.017 78.033 0.409 3.39 4 40.8 5.2
192 7 1 -3 39.138 78.276 0.41 3.37 4 19.5 1.2
193 6 2 -8 39.151 78.303 0.41 3.37 4 32.6 3.3
194 7 1 -7 39.233 78.466 0.411 3.36 4 13.3 0.5
195 4 2 -11 39.286 78.572 0.411 3.35 4 27.7 2.4
196 0 4 4 39.403 78.805 0.412 3.33 4 36.9 4.2
197 2 4 1 39.433 78.867 0.412 3.33 4 40.9 5.1
198 2 0 10 39.45 78.9 0.412 3.33 2 37.8 2.2
199 3 3 -9 39.476 78.952 0.413 3.32 4 0.8 0.0
200 5 3 -6 39.516 79.032 0.413 3.32 4 59.2 10.7
201 5 3 -1 39.551 79.103 0.413 3.31 4 41.0 5.1
202 1 3 -9 39.58 79.159 0.414 3.31 4 34.7 3.6
203 2 4 -4 39.587 79.174 0.414 3.31 4 63.1 12.1
204 6 2 0 39.756 79.512 0.415 3.29 4 38.1 4.4
205 7 1 -2 39.953 79.905 0.417 3.26 4 39.4 4.6
206 3 3 5 40.004 80.008 0.417 3.25 4 12.6 0.5
207 0 0 12 40.03 80.06 0.418 3.25 2 94.0 13.1
208 7 1 -8 40.094 80.188 0.418 3.24 4 37.9 4.3
209 5 1 -12 40.122 80.244 0.418 3.24 4 30.0 2.7
210 5 1 5 40.242 80.483 0.419 3.22 4 30.4 2.7
211 2 4 2 40.406 80.812 0.421 3.21 4 35.7 3.7
212 5 3 -7 40.512 81.024 0.422 3.19 4 25.4 1.9
213 5 3 0 40.561 81.122 0.422 3.19 4 78.1 17.8
214 6 2 -9 40.582 81.163 0.422 3.18 4 64.8 12.3
215 1 1 11 40.589 81.178 0.422 3.18 4 40.0 4.7
216 2 4 -5 40.62 81.24 0.423 3.18 4 12.7 0.5
217 1 3 8 40.739 81.478 0.424 3.17 4 14.7 0.6
218 0 4 5 40.906 81.811 0.425 3.15 4 63.1 11.5
219 3 1 -13 40.974 81.947 0.426 3.14 4 33.7 3.3
220 2 2 9 40.994 81.987 0.426 3.14 4 34.4 3.4
221 4 2 6 41.085 82.17 0.427 3.13 4 26.3 2.0
222 7 1 -1 41.096 82.191 0.427 3.13 4 19.9 1.1
223 7 1 -9 41.283 82.566 0.428 3.11 4 15.3 0.7
224 6 2 1 41.331 82.661 0.429 3.1 4 63.6 11.5
225 0 2 11 41.372 82.745 0.429 3.1 4 43.8 5.4
226 2 2 -12 41.632 83.264 0.431 3.07 4 60.0 10.1
227 6 0 -12 41.676 83.351 0.432 3.07 2 69.0 6.7
228 2 4 3 41.705 83.411 0.432 3.07 4 27.4 2.1
229 3 1 9 41.796 83.592 0.433 3.06 4 50.6 7.2
230 5 3 -8 41.834 83.667 0.433 3.05 4 18.0 0.9
231 5 3 1 41.896 83.793 0.433 3.05 4 12.1 0.4
232 3 3 -10 41.936 83.872 0.434 3.04 4 54.6 8.3
233 2 4 -6 41.978 83.956 0.434 3.04 4 39.9 4.4
234 4 2 -12 42.178 84.356 0.436 3.02 4 28.1 2.2
235 6 2 -10 42.332 84.663 0.437 3.01 4 82.9 18.9
236 4 0 8 42.444 84.888 0.438 3.0 2 47.7 3.1
237 1 3 -10 42.504 85.009 0.439 2.99 4 38.5 4.1
238 3 3 6 42.532 85.064 0.439 2.99 4 55.4 8.4
239 7 1 0 42.563 85.126 0.439 2.99 4 49.7 6.8
240 0 4 6 42.728 85.456 0.44 2.98 4 71.4 13.9
241 7 1 -10 42.796 85.592 0.441 2.97 4 44.5 5.4
242 6 0 4 42.868 85.735 0.442 2.96 2 75.2 7.7
243 1 1 -13 42.942 85.883 0.442 2.96 4 35.8 3.5
244 5 1 -13 43.1 86.2 0.444 2.95 4 38.7 4.0
245 6 2 2 43.224 86.449 0.445 2.94 4 68.6 12.7
246 5 1 6 43.232 86.464 0.445 2.94 4 30.1 2.4
247 2 4 4 43.327 86.655 0.445 2.93 4 49.3 6.5
248 5 3 -9 43.479 86.957 0.447 2.92 4 27.0 1.9
249 5 3 2 43.555 87.11 0.447 2.91 4 29.9 2.4
250 4 4 -3 43.646 87.291 0.448 2.91 4 44.5 5.3
251 2 4 -7 43.66 87.319 0.448 2.91 4 35.9 3.4
252 8 0 -6 43.718 87.437 0.449 2.9 2 38.1 1.9
253 4 4 -2 43.75 87.5 0.449 2.9 4 10.1 0.3
254 4 0 -14 43.774 87.547 0.449 2.9 2 65.3 5.7
255 1 3 9 43.784 87.569 0.449 2.9 4 21.6 1.2
256 4 4 -4 43.871 87.742 0.45 2.89 4 15.5 0.6
257 8 0 -4 44.136 88.272 0.452 2.88 2 35.3 1.6
258 2 0 -14 44.158 88.317 0.452 2.87 2 33.7 1.5
259 4 2 7 44.164 88.328 0.452 2.87 4 35.1 3.2
260 4 4 -1 44.184 88.368 0.452 2.87 4 37.1 3.6
261 7 1 1 44.353 88.706 0.454 2.86 4 3.7 0.0
262 6 2 -11 44.401 88.802 0.454 2.86 4 63.9 10.7
263 4 4 -5 44.425 88.85 0.454 2.86 4 25.0 1.6
264 2 2 10 44.598 89.195 0.456 2.85 4 72.0 13.5
265 8 0 -8 44.618 89.237 0.456 2.85 2 56.4 4.1
266 1 1 12 44.624 89.248 0.456 2.85 4 5.6 0.1
267 7 1 -11 44.632 89.264 0.456 2.85 4 16.8 0.7
268 3 3 -11 44.703 89.406 0.457 2.84 4 8.1 0.2
269 3 1 -14 44.736 89.471 0.457 2.84 4 21.8 1.2
270 0 4 7 44.87 89.74 0.458 2.83 4 69.4 12.5
271 4 4 0 44.947 89.894 0.459 2.83 4 22.1 1.3
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 6.154 12.308 7.18557 1198.2 100.0 100.0 5.6
2 1 1 -1 9.977 19.955 4.44584 240.4 20.1 20.0 5.6
3 2 0 -2 10.113 20.227 4.38668 310.7 25.9 25.8 5.6
4 1 1 0 10.173 20.345 4.36142 255.4 21.3 21.2 5.6
5 1 1 -2 10.719 21.437 4.14159 444.3 37.1 36.9 5.6
6 2 0 0 10.864 21.729 4.08667 58.0 4.8 4.8 5.6
7 1 1 1 11.258 22.515 3.94569 83.7 7.0 6.9 5.6
8 1 1 -3 12.235 24.469 3.63481 47.3 3.9 3.9 5.6
9 0 0 4 12.38 24.76 3.59278 574.9 48.0 47.6 5.6
10 2 0 -4 12.805 25.61 3.47541 162.5 13.6 13.4 5.6
11 1 1 2 13.023 26.045 3.41838 154.7 12.9 12.8 5.6
12 1 1 -4 14.296 28.591 3.11947 62.0 5.2 5.1 5.6
13 2 0 2 14.561 29.121 3.06393 166.1 13.9 13.7 5.6
14 1 1 3 15.25 30.5 2.92845 39.2 3.3 3.2 5.6
15 3 1 -2 17.403 34.807 2.57534 68.4 5.7 5.6 5.7
16 3 1 -3 17.626 35.251 2.54389 26.6 2.2 2.2 5.7
17 0 2 1 17.668 35.336 2.53797 62.7 5.2 5.1 5.7
18 3 1 -1 17.754 35.507 2.52612 17.0 1.4 1.4 5.7
19 1 1 4 17.789 35.579 2.52121 76.4 6.4 6.3 5.7
20 3 1 -4 18.402 36.804 2.44002 284.0 23.7 23.3 5.7
21 0 2 2 18.505 37.009 2.42697 268.1 22.4 22.0 5.7
22 3 1 0 18.648 37.297 2.40894 270.6 22.6 22.2 5.7
23 0 0 6 18.759 37.519 2.39519 78.4 6.5 6.4 5.7
24 1 1 -6 19.401 38.801 2.31892 63.9 5.3 5.2 5.7
25 3 1 -5 19.677 39.353 2.28766 48.6 4.1 4.0 5.7
26 0 2 3 19.832 39.663 2.27048 29.0 2.4 2.4 5.7
27 3 1 1 20.025 40.05 2.24946 48.9 4.1 4.0 5.7
28 4 0 -4 20.56 41.12 2.19334 15.0 1.3 1.2 5.7
29 3 1 -6 21.375 42.75 2.11343 44.4 3.7 3.6 5.7
30 0 2 4 21.574 43.148 2.09484 54.7 4.6 4.5 5.7
31 3 1 2 21.808 43.617 2.07341 55.5 4.6 4.5 5.7
32 4 0 0 22.146 44.293 2.04333 15.9 1.3 1.3 5.7
33 2 2 2 22.982 45.964 1.97285 31.9 2.7 2.6 5.7
34 2 0 -8 23.157 46.315 1.95872 21.9 1.8 1.8 5.7
35 3 1 -7 23.425 46.85 1.93757 118.2 9.9 9.6 5.7
36 0 2 5 23.661 47.322 1.91934 115.7 9.7 9.4 5.7
37 3 1 3 23.929 47.858 1.89908 80.2 6.7 6.5 5.7
38 2 2 -6 25.077 50.154 1.8174 31.5 2.6 2.5 5.7
39 1 1 -8 25.304 50.608 1.80217 12.1 1.0 1.0 5.8
40 0 0 8 25.391 50.782 1.79639 32.7 2.7 2.6 5.8
41 4 0 2 25.546 51.093 1.78619 14.3 1.2 1.2 5.8
42 3 1 -8 25.769 51.538 1.77181 36.1 3.0 2.9 5.8
43 0 2 6 26.036 52.072 1.75488 27.6 2.3 2.2 5.8
44 3 1 4 26.333 52.666 1.73649 46.8 3.9 3.8 5.8
45 2 2 4 26.787 53.573 1.70919 13.6 1.1 1.1 5.8
46 2 2 -7 27.197 54.393 1.68534 17.6 1.5 1.4 5.8
47 1 3 0 27.252 54.503 1.6822 46.7 3.9 3.8 5.8
48 4 2 -2 27.308 54.616 1.67901 17.3 1.4 1.4 5.8
49 4 2 -4 27.455 54.911 1.67068 21.3 1.8 1.7 5.8
50 5 1 -2 27.652 55.303 1.65975 50.4 4.2 4.0 5.8
51 1 3 -3 28.206 56.412 1.62973 18.1 1.5 1.4 5.8
52 3 1 -9 28.364 56.729 1.62137 41.9 3.5 3.4 5.8
53 5 1 -6 28.412 56.824 1.6189 12.9 1.1 1.0 5.8
54 1 3 2 28.608 57.215 1.60874 32.0 2.7 2.6 5.8
55 0 2 7 28.659 57.318 1.60611 28.8 2.4 2.3 5.8
56 3 1 5 28.981 57.962 1.58978 50.2 4.2 4.0 5.8
57 2 2 5 29.136 58.271 1.58208 16.1 1.3 1.3 5.8
58 1 3 -4 29.297 58.595 1.57412 35.8 3.0 2.9 5.8
59 2 2 -8 29.594 59.188 1.55973 23.6 2.0 1.9 5.8
60 3 3 -2 31.173 62.347 1.48809 247.3 20.6 19.6 5.8
61 6 0 -4 31.216 62.432 1.48626 93.4 7.8 7.4 5.8
62 0 2 8 31.506 63.013 1.47396 75.2 6.3 6.0 5.9
63 4 2 2 31.642 63.283 1.46831 13.8 1.2 1.1 5.9
64 2 2 6 31.74 63.48 1.46423 29.2 2.4 2.3 5.9
65 6 0 -6 31.788 63.577 1.46223 15.3 1.3 1.2 5.9
66 3 1 6 31.852 63.705 1.4596 83.1 6.9 6.6 5.9
67 3 3 0 31.994 63.989 1.45381 33.4 2.8 2.6 5.9
68 6 0 -2 32.119 64.238 1.44878 28.8 2.4 2.3 5.9
69 4 2 -8 32.313 64.625 1.44101 17.1 1.4 1.4 5.9
70 3 3 -6 33.915 67.83 1.38053 22.8 1.9 1.8 5.9
71 3 1 -11 34.225 68.449 1.36954 53.3 4.5 4.2 5.9
72 0 2 9 34.569 69.138 1.35756 40.9 3.4 3.2 5.9
73 3 1 7 34.939 69.878 1.34499 22.8 1.9 1.8 5.9
74 2 2 -10 35.13 70.261 1.3386 12.6 1.1 1.0 5.9
75 6 2 -4 36.741 73.482 1.28767 21.4 1.8 1.7 6.0
76 4 0 -12 36.964 73.929 1.28099 18.8 1.6 1.5 6.0
77 6 2 -6 37.272 74.543 1.27194 54.2 4.5 4.2 6.0
78 3 3 -8 37.315 74.631 1.27066 12.5 1.0 1.0 6.0
79 0 4 2 37.373 74.746 1.26899 45.4 3.8 3.5 6.0
80 3 1 -12 37.481 74.963 1.26586 42.1 3.5 3.3 6.0
81 6 2 -2 37.579 75.158 1.26306 56.4 4.7 4.4 6.0
82 3 3 4 37.776 75.552 1.25745 13.6 1.1 1.1 6.0
83 0 2 10 37.852 75.703 1.25531 38.6 3.2 3.0 6.0
84 6 2 -7 38.046 76.091 1.24987 15.7 1.3 1.2 6.0
85 3 1 8 38.247 76.493 1.2443 54.6 4.6 4.2 6.0
86 5 3 -4 38.521 77.041 1.23681 34.5 2.9 2.7 6.0
87 2 4 -3 38.884 77.768 1.22705 15.4 1.3 1.2 6.0
88 2 4 -4 39.587 79.174 1.20876 12.1 1.0 0.9 6.0
89 0 0 12 40.03 80.06 1.19759 13.1 1.1 1.0 6.0
90 5 3 0 40.561 81.122 1.18458 34.7 2.9 2.7 6.1
91 6 2 -10 42.332 84.663 1.14383 18.9 1.6 1.4 6.1
92 3 3 6 42.532 85.064 1.13946 12.5 1.0 0.9 6.1
93 0 4 6 42.728 85.456 1.13524 13.9 1.2 1.1 6.1
94 6 2 2 43.224 86.449 1.12473 15.1 1.3 1.1 6.1
95 6 2 -11 44.401 88.802 1.10091 12.3 1.0 0.9 6.2
96 2 2 10 44.598 89.195 1.09707 17.7 1.5 1.3 6.2
97 0 4 7 44.87 89.74 1.09182 12.5 1.0 0.9 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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