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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DICKITE
1, f-kaolinite-halloysite, sf-kaolinite
Al(2)[Si(2)O(5)](OH)(4)
Monoclinic C c Z = 4
Cc
3 .5 .1988
Ref.Str.:
Newnham R.E. (1961)
* Mineral. Mag., 32, 683-704
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.15 alpha = 90.0
b = 8.94 beta = 96.73
c = 14.424 gamma = 90.0
Unit cell volume (cub. angs.) = 659.52
Molar volume ( cub.cm/mol.) = 99.31
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0117 0.4001 0.0405 0.0 Si = 1.00
2 0.5002 0.5732 0.0402 0.0 Si = 1.00
3 0.9154 0.2534 0.232 0.0 Al = 1.00
4 0.419 0.417 0.2306 0.0 Al = 1.00
5 0.9554 0.2373 0.9939 0.0 O = 1.00
6 0.2587 0.4724 0.9942 0.0 O = 1.00
7 0.7646 0.5105 0.0058 0.0 O = 1.00
8 0.0803 0.3876 0.1523 0.0 O = 1.00
9 0.511 0.5813 0.1526 0.0 O = 1.00
10 0.5818 0.2758 0.1574 0.0 O = 1.00
11 0.2439 0.2733 0.2948 0.0 O = 1.00
12 0.7472 0.3949 0.2981 0.0 O = 1.00
13 0.3328 0.5832 0.2963 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0117 0.4001 0.0405
2 2 0.5002 0.5732 0.0402
3 3 0.9154 0.2534 0.232
4 4 0.419 0.417 0.2306
5 5 0.9554 0.2373 0.9939
6 6 0.2587 0.4724 0.9942
7 7 0.7646 0.5105 0.0058
8 8 0.0803 0.3876 0.1523
9 9 0.511 0.5813 0.1526
10 10 0.5818 0.2758 0.1574
11 11 0.2439 0.2733 0.2948
12 12 0.7472 0.3949 0.2981
13 13 0.3328 0.5832 0.2963
14 1 0.0117 0.5999 0.5405
15 2 0.5002 0.4268 0.5402
16 3 0.9154 0.7466 0.732
17 4 0.419 0.583 0.7306
18 5 0.9554 0.7627 0.4939
19 6 0.2587 0.5276 0.4942
20 7 0.7646 0.4895 0.5058
21 8 0.0803 0.6124 0.6523
22 9 0.511 0.4187 0.6526
23 10 0.5818 0.7242 0.6574
24 11 0.2439 0.7267 0.7948
25 12 0.7472 0.6051 0.7981
26 13 0.3328 0.4168 0.7963
27 1 0.5117 0.0999 0.5405
28 2 0.0002 0.9268 0.5402
29 3 0.4154 0.2466 0.732
30 4 0.919 0.083 0.7306
31 5 0.4554 0.2627 0.4939
32 6 0.7587 0.0276 0.4942
33 7 0.2646 0.9895 0.5058
34 8 0.5803 0.1124 0.6523
35 9 0.011 0.9187 0.6526
36 10 0.0818 0.2242 0.6574
37 11 0.7439 0.2267 0.7948
38 12 0.2472 0.1051 0.7981
39 13 0.8328 0.9168 0.7963
40 1 0.5117 0.9001 0.0405
41 2 0.0002 0.0732 0.0402
42 3 0.4154 0.7534 0.232
43 4 0.919 0.917 0.2306
44 5 0.4554 0.7373 0.9939
45 6 0.7587 0.9724 0.9942
46 7 0.2646 0.0105 0.0058
47 8 0.5803 0.8876 0.1523
48 9 0.011 0.0813 0.1526
49 10 0.0818 0.7758 0.1574
50 11 0.7439 0.7733 0.2948
51 12 0.2472 0.8949 0.2981
52 13 0.8328 0.0832 0.2963
X-ray density (g/cm cub.) = 2.56
MU (1/cm) = 77.347 Mass attenuation coefficient (cm**2/g) = 30.231
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.1 4
1.6151 5
1.6374 6
1.6416 7
1.6138 8
2 Si 2.1 4
1.6142 6
1.604 7
1.6173 9
1.6172 5
3 Al 2.316 6
1.9264 8
1.9278 10
1.8317 11
1.8583 12
2.0133 9
1.8571 13
4 Al 2.316 6
1.9813 8
1.9423 9
1.9023 10
1.8753 11
1.8596 12
1.8443 13
5 O 3.264 8
2.6184 6
2.6457 7
2.6636 8
3.232 10
2.9512 11
2.576 6
2.5714 7
2.6671 9
6 O 3.264 8
2.6184 5
2.6134 7
2.5921 7
2.6665 8
2.6759 9
3.2375 10
2.9658 13
2.576 5
7 O 3.264 8
2.6457 5
2.5921 6
2.6134 6
2.7406 8
2.6904 9
3.2485 10
3.1041 12
2.5714 5
8 O 3.264 10
2.6636 5
2.6665 6
2.7406 7
2.8136 9
2.7623 10
2.764 10
2.3607 11
2.8662 12
2.9034 13
2.7616 9
9 O 3.264 10
2.6759 6
2.6904 7
2.8136 8
2.7552 10
2.8395 12
2.3632 13
2.6671 5
2.7616 8
2.8196 10
2.8311 11
10 O 3.264 10
3.232 5
3.2375 6
3.2485 7
2.764 8
2.7623 8
2.7552 9
2.7865 11
2.3607 12
2.8196 9
2.836 13
11 O 3.264 8
2.3607 8
2.7865 10
2.806 12
2.785 12
2.8078 13
2.9512 5
2.8311 9
2.717 13
12 O 3.264 8
2.8662 8
2.8395 9
2.3607 10
2.785 11
2.806 11
2.7159 13
3.1041 7
2.8218 13
13 O 3.264 8
2.9034 8
2.3632 9
2.8078 11
2.7159 12
2.9658 6
2.836 10
2.717 11
2.8218 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 6.174 12.348 0.07 169.95 2 108.9 927.2
2 0 2 0 9.923 19.846 0.112 64.43 2 35.4 37.2
3 1 1 0 9.992 19.984 0.113 63.52 4 68.1 270.5
4 1 1 -1 10.157 20.315 0.114 61.4 4 75.6 323.0
5 0 2 1 10.4 20.8 0.117 58.47 4 64.7 224.9
6 1 1 1 10.766 21.533 0.121 54.41 4 100.6 506.8
7 1 1 -2 11.222 22.445 0.126 49.91 4 46.9 101.1
8 0 2 2 11.72 23.44 0.132 45.59 4 93.4 365.8
9 1 1 2 12.312 24.624 0.138 41.11 4 44.2 73.7
10 0 0 4 12.421 24.842 0.14 40.36 2 182.3 617.0
11 1 1 -3 12.978 25.956 0.146 36.8 4 66.1 148.1
12 0 2 3 13.653 27.307 0.153 33.05 4 35.7 38.7
13 1 1 3 14.397 28.795 0.161 29.52 4 42.3 48.7
14 1 1 -4 15.204 30.408 0.17 26.27 4 41.5 41.6
15 0 2 4 15.998 31.997 0.179 23.55 4 52.2 59.1
16 1 1 4 16.844 33.688 0.188 21.06 4 23.9 11.0
17 1 3 0 17.407 34.814 0.194 19.6 4 18.9 6.4
18 1 3 -1 17.507 35.013 0.195 19.36 4 84.2 126.2
19 2 0 0 17.53 35.061 0.196 19.3 2 97.1 83.7
20 1 1 -5 17.746 35.492 0.198 18.79 4 59.3 60.7
21 1 3 1 17.882 35.764 0.199 18.48 4 105.2 188.1
22 2 0 -2 17.923 35.846 0.2 18.39 2 103.6 90.8
23 1 3 -2 18.172 36.344 0.202 17.84 4 14.0 3.2
24 0 2 5 18.624 37.247 0.207 16.9 4 26.9 11.2
25 0 0 6 18.823 37.645 0.209 16.51 2 86.4 56.7
26 1 3 2 18.894 37.788 0.21 16.38 4 18.0 4.9
27 1 3 -3 19.354 38.707 0.215 15.53 4 174.9 436.6
28 2 0 2 19.359 38.719 0.215 15.52 2 163.5 190.8
29 1 1 5 19.542 39.083 0.217 15.2 4 50.2 35.3
30 0 4 0 20.16 40.32 0.224 14.18 2 9.7 0.6
31 2 2 -1 20.226 40.451 0.224 14.08 4 14.6 2.8
32 2 2 0 20.305 40.611 0.225 13.96 4 19.1 4.7
33 1 3 3 20.375 40.749 0.226 13.85 4 65.6 54.7
34 0 4 1 20.415 40.83 0.226 13.79 4 16.4 3.4
35 2 0 -4 20.427 40.854 0.227 13.77 2 73.0 33.8
36 1 1 -6 20.515 41.029 0.227 13.64 4 8.1 0.8
37 2 2 -2 20.653 41.305 0.229 13.44 4 31.3 12.1
38 2 2 1 20.887 41.774 0.231 13.1 4 10.5 1.3
39 1 3 -4 20.978 41.956 0.232 12.98 4 16.5 3.2
40 0 4 2 21.164 42.327 0.234 12.72 4 26.5 8.2
41 0 2 6 21.455 42.91 0.237 12.34 4 43.7 21.7
42 2 2 -3 21.562 43.124 0.239 12.2 4 10.2 1.2
43 2 2 2 21.938 43.877 0.243 11.74 4 29.2 9.2
44 1 3 4 22.248 44.497 0.246 11.37 4 17.6 3.2
45 0 4 3 22.367 44.733 0.247 11.24 4 30.3 9.5
46 1 1 6 22.431 44.861 0.248 11.16 4 19.7 4.0
47 2 2 -4 22.907 45.814 0.253 10.65 4 49.5 24.0
48 2 0 4 22.961 45.922 0.253 10.59 2 124.8 75.9
49 1 3 -5 22.97 45.94 0.253 10.58 4 121.4 143.4
50 2 2 3 23.409 46.817 0.258 10.14 4 41.4 16.0
51 1 1 -7 23.461 46.922 0.258 10.09 4 22.2 4.6
52 0 4 4 23.97 47.94 0.264 9.61 4 69.3 42.4
53 1 3 5 24.447 48.894 0.269 9.19 4 74.0 46.3
54 0 2 7 24.455 48.91 0.269 9.18 4 13.4 1.5
55 2 0 -6 24.506 49.012 0.269 9.14 2 77.1 25.0
56 2 2 -5 24.633 49.267 0.271 9.03 4 48.6 19.6
57 2 2 4 25.244 50.487 0.277 8.54 4 68.3 36.6
58 1 3 -6 25.268 50.536 0.277 8.52 4 13.6 1.5
59 0 0 8 25.479 50.959 0.279 8.36 2 98.5 37.3
60 1 1 7 25.481 50.962 0.279 8.36 4 24.9 4.8
61 0 4 5 25.92 51.84 0.284 8.04 4 42.1 13.1
62 1 1 -8 26.564 53.127 0.29 7.6 4 21.5 3.2
63 2 2 -6 26.69 53.379 0.292 7.52 4 43.0 12.8
64 1 3 6 26.92 53.84 0.294 7.38 4 21.8 3.2
65 1 5 0 27.153 54.307 0.296 7.23 4 20.2 2.7
66 2 4 -1 27.176 54.353 0.296 7.22 4 41.8 11.6
67 3 1 -1 27.188 54.375 0.297 7.21 4 34.0 7.7
68 1 5 -1 27.223 54.447 0.297 7.19 4 29.9 5.9
69 2 4 0 27.24 54.48 0.297 7.18 4 55.3 20.2
70 3 1 0 27.385 54.769 0.299 7.09 4 52.0 17.7
71 2 2 5 27.394 54.788 0.299 7.09 4 49.1 15.7
72 3 1 -2 27.397 54.794 0.299 7.09 4 8.1 0.4
73 1 5 1 27.49 54.98 0.3 7.03 4 49.0 15.5
74 2 4 -2 27.519 55.038 0.3 7.02 4 70.0 31.6
75 0 2 8 27.608 55.216 0.301 6.97 4 37.2 8.9
76 1 5 -2 27.698 55.395 0.302 6.91 4 72.0 33.0
77 2 4 1 27.708 55.417 0.302 6.91 4 11.5 0.8
78 2 0 6 27.806 55.612 0.303 6.85 2 164.8 85.5
79 1 3 -7 27.826 55.653 0.303 6.84 4 164.9 171.1
80 3 1 1 27.983 55.965 0.305 6.75 4 76.2 36.1
81 3 1 -3 28.007 56.014 0.305 6.74 4 61.4 23.4
82 0 4 6 28.171 56.341 0.306 6.65 4 21.9 2.9
83 1 5 2 28.223 56.446 0.307 6.63 4 20.0 2.4
84 2 4 -3 28.258 56.515 0.307 6.61 4 55.2 18.5
85 1 5 -3 28.563 57.126 0.31 6.45 4 47.8 13.5
86 2 4 2 28.567 57.135 0.31 6.45 4 55.6 18.3
87 1 1 8 28.682 57.364 0.312 6.39 4 15.2 1.4
88 3 1 2 28.965 57.93 0.314 6.25 4 57.9 19.2
89 3 1 -4 29.001 58.002 0.315 6.23 4 14.1 1.1
90 2 2 -7 29.033 58.067 0.315 6.21 4 53.8 16.5
91 1 5 3 29.333 58.667 0.318 6.07 4 44.7 11.1
92 2 4 -4 29.373 58.747 0.318 6.05 4 8.8 0.4
93 1 3 7 29.633 59.265 0.321 5.94 4 125.0 85.3
94 2 0 -8 29.696 59.392 0.322 5.91 2 100.5 27.5
95 2 4 3 29.796 59.592 0.323 5.86 4 11.5 0.7
96 1 5 -4 29.798 59.595 0.323 5.86 4 44.2 10.5
97 1 1 -9 29.817 59.634 0.323 5.85 4 37.1 7.4
98 2 2 6 29.821 59.642 0.323 5.85 4 50.9 13.9
99 3 1 3 30.308 60.616 0.328 5.64 4 24.1 3.0
100 3 1 -5 30.355 60.71 0.328 5.62 4 45.0 10.5
101 1 3 -8 30.616 61.232 0.331 5.52 4 12.0 0.7
102 0 4 7 30.688 61.375 0.331 5.49 4 58.3 17.1
103 1 5 4 30.796 61.593 0.332 5.45 4 10.9 0.6
104 2 4 -5 30.841 61.682 0.333 5.43 4 45.8 10.5
105 0 2 9 30.912 61.824 0.333 5.4 4 19.8 1.9
106 0 6 0 31.129 62.258 0.336 5.32 2 173.9 73.9
107 3 3 -1 31.187 62.374 0.336 5.3 4 176.9 152.4
108 0 6 1 31.316 62.632 0.337 5.25 4 31.1 4.7
109 3 3 0 31.368 62.736 0.338 5.23 4 15.8 1.2
110 2 4 4 31.368 62.737 0.338 5.23 4 53.2 13.6
111 1 5 -5 31.376 62.751 0.338 5.23 4 42.7 8.8
112 3 3 -2 31.379 62.759 0.338 5.23 4 13.4 0.9
113 2 2 -8 31.635 63.271 0.34 5.13 4 86.4 35.3
114 0 6 2 31.873 63.746 0.343 5.05 4 74.4 25.7
115 3 3 1 31.919 63.838 0.343 5.03 4 60.0 16.7
116 3 3 -3 31.941 63.883 0.343 5.03 4 93.0 40.0
117 3 1 4 31.987 63.974 0.344 5.01 4 41.4 7.9
118 1 1 9 32.038 64.075 0.344 4.99 4 22.7 2.4
119 3 1 -6 32.043 64.087 0.344 4.99 4 6.6 0.2
120 2 2 7 32.5 64.999 0.349 4.84 4 67.5 20.3
121 0 0 10 32.529 65.059 0.349 4.83 2 75.2 12.6
122 1 3 8 32.566 65.133 0.349 4.82 4 24.8 2.7
123 1 5 5 32.586 65.172 0.35 4.81 4 41.1 7.5
124 2 4 -6 32.635 65.27 0.35 4.8 4 49.3 10.7
125 0 6 3 32.789 65.579 0.352 4.75 4 35.8 5.6
126 3 3 2 32.829 65.658 0.352 4.74 4 20.2 1.8
127 3 3 -4 32.863 65.725 0.352 4.73 4 15.9 1.1
128 1 1 -10 33.228 66.457 0.356 4.62 4 14.0 0.8
129 2 4 5 33.26 66.519 0.356 4.61 4 8.8 0.3
130 1 5 -6 33.272 66.545 0.356 4.6 4 54.9 12.7
131 0 4 8 33.45 66.901 0.358 4.55 4 84.7 30.0
132 2 0 8 33.595 67.19 0.359 4.51 2 62.7 8.2
133 1 3 -9 33.624 67.248 0.359 4.5 4 72.6 21.8
134 3 1 5 33.977 67.954 0.363 4.4 4 32.3 4.2
135 3 1 -7 34.043 68.086 0.363 4.39 4 42.4 7.3
136 0 6 4 34.051 68.102 0.363 4.39 4 71.4 20.6
137 3 3 3 34.084 68.169 0.364 4.38 4 81.9 27.0
138 3 3 -5 34.128 68.256 0.364 4.36 4 61.1 15.0
139 0 2 10 34.379 68.759 0.367 4.3 4 15.9 1.0
140 2 2 -9 34.479 68.958 0.367 4.27 4 57.5 13.0
141 1 5 6 34.68 69.361 0.369 4.22 4 7.9 0.2
142 2 4 -7 34.733 69.466 0.37 4.21 4 38.5 5.7
143 2 2 8 35.417 70.835 0.376 4.05 4 63.2 14.9
144 2 4 6 35.45 70.899 0.376 4.04 4 31.8 3.8
145 1 5 -7 35.467 70.934 0.377 4.04 4 7.1 0.2
146 1 1 10 35.562 71.124 0.378 4.01 4 26.4 2.6
147 0 6 5 35.641 71.282 0.378 4.0 4 23.9 2.1
148 3 3 4 35.668 71.337 0.378 3.99 4 14.2 0.7
149 1 3 9 35.717 71.433 0.379 3.98 4 191.8 134.6
150 3 3 -6 35.722 71.444 0.379 3.98 4 13.9 0.7
151 2 0 -10 35.785 71.569 0.38 3.97 2 197.1 70.8
152 3 1 6 36.261 72.522 0.384 3.86 4 32.5 3.7
153 3 1 -8 36.335 72.671 0.385 3.85 4 15.7 0.9
154 0 4 9 36.451 72.902 0.386 3.83 4 54.5 10.5
155 2 6 -1 36.695 73.391 0.388 3.78 4 44.2 6.8
156 2 6 0 36.749 73.499 0.388 3.77 4 114.1 45.1
157 1 1 -11 36.816 73.633 0.389 3.75 4 28.6 2.8
158 4 0 -2 36.828 73.656 0.389 3.75 2 108.6 20.3
159 1 3 -10 36.85 73.7 0.389 3.75 4 14.9 0.8
160 2 6 -2 36.987 73.973 0.391 3.72 4 66.7 15.2
161 4 0 0 37.044 74.088 0.391 3.71 2 81.2 11.3
162 1 5 7 37.064 74.127 0.391 3.71 4 24.9 2.1
163 2 4 -8 37.12 74.24 0.392 3.7 4 22.8 1.8
164 2 6 1 37.148 74.297 0.392 3.69 4 36.1 4.4
165 0 6 6 37.545 75.09 0.396 3.62 4 49.0 8.0
166 2 2 -10 37.561 75.122 0.396 3.62 4 37.3 4.6
167 3 3 5 37.567 75.134 0.396 3.62 4 56.8 10.7
168 2 6 -3 37.62 75.24 0.396 3.61 4 37.9 4.8
169 3 3 -7 37.63 75.26 0.396 3.61 4 65.8 14.4
170 2 6 2 37.888 75.776 0.399 3.56 4 121.8 48.6
171 2 4 7 37.925 75.85 0.399 3.56 4 30.1 3.0
172 1 5 -8 37.947 75.895 0.399 3.55 4 17.3 1.0
173 4 0 -4 37.987 75.973 0.4 3.55 2 149.9 36.7
174 0 2 11 38.032 76.063 0.4 3.54 4 32.1 3.4
175 1 7 0 38.437 76.873 0.404 3.47 4 78.5 19.7
176 3 5 -1 38.465 76.93 0.404 3.47 4 28.2 2.5
177 1 7 -1 38.495 76.99 0.404 3.46 4 54.8 9.6
178 4 2 -1 38.523 77.046 0.404 3.46 4 39.5 5.0
179 2 2 9 38.575 77.151 0.405 3.45 4 23.4 1.7
180 4 2 -2 38.586 77.173 0.405 3.45 4 39.9 5.1
181 2 6 -4 38.59 77.181 0.405 3.45 4 83.9 22.3
182 4 0 2 38.626 77.252 0.405 3.44 2 90.9 13.1
183 3 5 0 38.63 77.26 0.405 3.44 4 66.0 13.8
184 3 5 -2 38.64 77.281 0.405 3.44 4 44.7 6.3
185 1 7 1 38.718 77.436 0.406 3.43 4 63.6 12.8
186 4 2 0 38.799 77.598 0.407 3.42 4 60.0 11.3
187 3 1 7 38.828 77.656 0.407 3.41 4 21.6 1.5
188 1 7 -2 38.893 77.786 0.408 3.41 4 20.9 1.4
189 3 1 -9 38.911 77.823 0.408 3.4 4 48.1 7.2
190 2 6 3 38.962 77.924 0.408 3.39 4 34.2 3.7
191 4 2 -3 38.989 77.978 0.408 3.39 4 75.1 17.6
192 1 3 10 39.093 78.186 0.409 3.38 4 27.1 2.3
193 3 5 1 39.133 78.267 0.41 3.37 4 72.8 16.4
194 3 5 -3 39.154 78.308 0.41 3.37 4 48.9 7.4
195 1 1 11 39.282 78.564 0.411 3.35 4 40.3 5.0
196 1 7 2 39.337 78.674 0.411 3.34 4 48.2 7.1
197 4 2 1 39.413 78.825 0.412 3.33 4 14.5 0.6
198 1 7 -3 39.627 79.254 0.414 3.3 4 52.6 8.4
199 0 4 10 39.695 79.39 0.415 3.29 4 51.0 7.9
200 4 2 -4 39.728 79.456 0.415 3.29 4 46.4 6.5
201 1 5 8 39.729 79.458 0.415 3.29 4 46.5 6.5
202 0 6 7 39.753 79.507 0.415 3.29 4 32.2 3.1
203 3 3 6 39.77 79.539 0.415 3.28 4 20.0 1.2
204 2 4 -9 39.789 79.579 0.415 3.28 4 9.1 0.2
205 3 3 -8 39.842 79.684 0.416 3.27 4 18.0 1.0
206 2 6 -5 39.89 79.781 0.416 3.27 4 30.0 2.7
207 3 5 2 39.972 79.943 0.417 3.26 4 59.4 10.6
208 3 5 -4 40.003 80.005 0.417 3.25 4 19.4 1.1
209 0 0 12 40.187 80.373 0.419 3.23 2 97.7 14.2
210 2 0 10 40.272 80.543 0.42 3.22 2 85.1 10.7
211 1 7 3 40.29 80.58 0.42 3.22 4 17.2 0.9
212 1 3 -11 40.309 80.618 0.42 3.22 4 85.4 21.6
213 4 2 2 40.36 80.719 0.42 3.21 4 56.2 9.3
214 2 6 4 40.364 80.727 0.42 3.21 4 71.9 15.2
215 4 0 -6 40.481 80.962 0.421 3.2 2 38.2 2.1
216 1 1 -12 40.612 81.224 0.423 3.18 4 32.9 3.2
217 2 4 8 40.683 81.366 0.423 3.17 4 61.7 11.1
218 1 7 -4 40.693 81.387 0.423 3.17 4 26.3 2.0
219 1 5 -9 40.71 81.42 0.423 3.17 4 12.1 0.4
220 4 2 -5 40.799 81.598 0.424 3.16 4 47.9 6.7
221 2 2 -11 40.892 81.784 0.425 3.15 4 23.2 1.6
222 3 5 3 41.14 82.281 0.427 3.12 4 9.0 0.2
223 3 5 -5 41.181 82.363 0.427 3.12 4 37.2 4.0
224 2 6 -6 41.514 83.027 0.43 3.08 4 37.4 4.0
225 4 0 4 41.528 83.056 0.43 3.08 2 25.9 0.9
226 1 7 4 41.571 83.143 0.431 3.08 4 47.4 6.4
227 4 2 3 41.636 83.271 0.431 3.07 4 7.3 0.1
228 3 1 8 41.68 83.36 0.432 3.07 4 11.0 0.3
229 3 1 -10 41.772 83.544 0.432 3.06 4 50.5 7.2
230 0 2 12 41.905 83.809 0.434 3.05 4 29.9 2.5
231 2 2 10 41.989 83.978 0.434 3.04 4 58.2 9.5
232 1 7 -5 42.087 84.174 0.435 3.03 4 39.8 4.4
233 2 6 5 42.087 84.175 0.435 3.03 4 22.7 1.4
234 4 2 -6 42.197 84.394 0.436 3.02 4 41.1 4.7
235 0 6 8 42.264 84.527 0.437 3.01 4 40.2 4.5
236 3 3 7 42.274 84.549 0.437 3.01 4 53.3 7.9
237 3 3 -9 42.356 84.712 0.437 3.01 4 48.4 6.5
238 3 5 4 42.635 85.271 0.44 2.98 4 43.7 5.2
239 1 5 9 42.681 85.363 0.44 2.98 4 26.4 1.9
240 3 5 -6 42.686 85.373 0.44 2.98 4 9.6 0.3
241 1 3 11 42.72 85.441 0.44 2.98 4 20.8 1.2
242 2 4 -10 42.746 85.492 0.441 2.97 4 25.3 1.7
243 2 0 -12 42.795 85.59 0.441 2.97 2 35.0 1.7
244 1 7 5 43.178 86.356 0.444 2.94 4 31.4 2.7
245 0 4 11 43.203 86.406 0.444 2.94 4 11.8 0.4
246 4 2 4 43.237 86.474 0.445 2.94 4 40.0 4.3
247 1 1 12 43.238 86.476 0.445 2.94 4 32.6 2.9
248 2 6 -7 43.458 86.916 0.446 2.92 4 26.6 1.9
249 0 8 0 43.574 87.148 0.447 2.91 2 26.5 0.9
250 4 4 -1 43.682 87.363 0.448 2.91 4 42.9 4.9
251 2 4 9 43.733 87.466 0.449 2.9 4 45.8 5.6
252 0 8 1 43.74 87.479 0.449 2.9 4 46.6 5.8
253 4 4 -2 43.744 87.487 0.449 2.9 4 26.7 1.9
254 1 5 -10 43.765 87.53 0.449 2.9 4 10.9 0.3
255 1 7 -6 43.805 87.61 0.449 2.9 4 22.3 1.3
256 4 2 -7 43.92 87.84 0.45 2.89 4 32.0 2.7
257 4 4 0 43.951 87.902 0.451 2.89 4 33.6 3.0
258 1 3 -12 44.032 88.063 0.451 2.88 4 8.0 0.2
259 2 6 6 44.132 88.265 0.452 2.88 4 120.3 38.3
260 4 4 -3 44.137 88.274 0.452 2.88 4 36.9 3.6
261 0 8 2 44.237 88.474 0.453 2.87 4 11.7 0.4
262 4 0 -8 44.269 88.537 0.453 2.87 2 125.5 20.8
263 3 5 5 44.455 88.911 0.455 2.86 4 21.6 1.2
264 2 2 -12 44.499 88.998 0.455 2.85 4 67.8 12.1
265 3 5 -7 44.516 89.033 0.455 2.85 4 46.0 5.6
266 4 4 1 44.552 89.104 0.455 2.85 4 22.4 1.3
267 1 1 -13 44.662 89.324 0.456 2.85 4 8.2 0.2
268 3 1 9 44.83 89.66 0.458 2.84 4 18.1 0.9
269 4 4 -4 44.862 89.724 0.458 2.84 4 1.3 0.0
270 3 1 -11 44.931 89.863 0.458 2.83 4 11.2 0.3
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 6.174 12.348 7.16231 927.2 100.0 100.0 5.6
2 0 2 0 9.923 19.846 4.47 37.2 4.0 4.0 5.6
3 1 1 0 9.992 19.984 4.43937 270.5 29.2 29.0 5.6
4 1 1 -1 10.157 20.315 4.36789 323.0 34.8 34.7 5.6
5 0 2 1 10.4 20.8 4.26707 224.9 24.3 24.1 5.6
6 1 1 1 10.766 21.533 4.12346 506.8 54.7 54.3 5.6
7 1 1 -2 11.222 22.445 3.95792 101.1 10.9 10.8 5.6
8 0 2 2 11.72 23.44 3.79208 365.8 39.5 39.2 5.6
9 1 1 2 12.312 24.624 3.61237 73.7 7.9 7.9 5.6
10 0 0 4 12.421 24.842 3.58115 617.0 66.5 66.0 5.6
11 1 1 -3 12.978 25.956 3.42989 148.1 16.0 15.8 5.6
12 0 2 3 13.653 27.307 3.26323 38.7 4.2 4.1 5.6
13 1 1 3 14.397 28.795 3.0979 48.7 5.2 5.2 5.6
14 1 1 -4 15.204 30.408 2.93713 41.6 4.5 4.4 5.6
15 0 2 4 15.998 31.997 2.79484 59.1 6.4 6.3 5.6
16 1 1 4 16.844 33.688 2.65829 11.0 1.2 1.2 5.7
17 1 3 -1 17.507 35.013 2.56065 209.9 22.6 22.3 5.7
18 1 1 -5 17.746 35.492 2.52715 60.7 6.5 6.4 5.7
19 1 3 1 17.882 35.764 2.50857 188.1 20.3 19.9 5.7
20 2 0 -2 17.923 35.846 2.50303 90.8 9.8 9.6 5.7
21 0 2 5 18.624 37.247 2.41203 11.2 1.2 1.2 5.7
22 0 0 6 18.823 37.645 2.38744 56.7 6.1 6.0 5.7
23 1 3 -3 19.354 38.707 2.32433 627.3 67.7 66.3 5.7
24 1 1 5 19.542 39.083 2.30283 35.3 3.8 3.7 5.7
25 1 3 3 20.375 40.749 2.21244 54.7 5.9 5.8 5.7
26 2 0 -4 20.427 40.854 2.20703 37.2 4.0 3.9 5.7
27 2 2 -2 20.653 41.305 2.18395 12.1 1.3 1.3 5.7
28 0 2 6 21.455 42.91 2.10589 21.7 2.3 2.3 5.7
29 0 4 3 22.367 44.733 2.02422 9.5 1.0 1.0 5.7
30 2 2 -4 22.907 45.814 1.97896 24.0 2.6 2.5 5.7
31 1 3 -5 22.97 45.94 1.97382 219.3 23.6 23.0 5.7
32 2 2 3 23.409 46.817 1.93885 16.0 1.7 1.7 5.7
33 0 4 4 23.97 47.94 1.89604 42.4 4.6 4.4 5.7
34 1 3 5 24.447 48.894 1.86123 47.8 5.2 5.0 5.7
35 2 0 -6 24.506 49.012 1.85705 25.0 2.7 2.6 5.7
36 2 2 -5 24.633 49.267 1.84803 19.6 2.1 2.1 5.7
37 2 2 4 25.244 50.487 1.80619 38.1 4.1 4.0 5.8
38 0 0 8 25.479 50.959 1.79058 42.1 4.5 4.4 5.8
39 0 4 5 25.92 51.84 1.7622 13.1 1.4 1.4 5.8
40 2 2 -6 26.69 53.379 1.71494 12.8 1.4 1.3 5.8
41 2 4 -1 27.176 54.353 1.6865 22.0 2.4 2.3 5.8
42 2 4 0 27.24 54.48 1.68286 26.1 2.8 2.7 5.8
43 3 1 0 27.385 54.769 1.67466 33.8 3.6 3.5 5.8
44 1 5 1 27.49 54.98 1.66875 15.5 1.7 1.6 5.8
45 2 4 -2 27.519 55.038 1.66712 31.6 3.4 3.3 5.8
46 1 5 -2 27.698 55.395 1.6572 33.8 3.6 3.5 5.8
47 1 3 -7 27.826 55.653 1.65016 256.7 27.7 26.6 5.8
48 3 1 1 27.983 55.965 1.64168 59.5 6.4 6.2 5.8
49 2 4 -3 28.258 56.515 1.62699 18.5 2.0 1.9 5.8
50 2 4 2 28.567 57.135 1.61082 31.8 3.4 3.3 5.8
51 3 1 2 28.965 57.93 1.59059 19.2 2.1 2.0 5.8
52 2 2 -7 29.033 58.067 1.58716 16.5 1.8 1.7 5.8
53 1 5 3 29.333 58.667 1.57235 11.1 1.2 1.1 5.8
54 1 3 7 29.633 59.265 1.55789 85.3 9.2 8.8 5.8
55 2 0 -8 29.696 59.392 1.55487 27.5 3.0 2.8 5.8
56 2 2 6 29.821 59.642 1.54895 31.9 3.4 3.3 5.8
57 3 1 -5 30.355 60.71 1.52424 10.5 1.1 1.1 5.8
58 0 4 7 30.688 61.375 1.50929 17.1 1.8 1.8 5.8
59 2 4 -5 30.841 61.682 1.50253 10.5 1.1 1.1 5.8
60 0 6 0 31.129 62.258 1.49 73.9 8.0 7.6 5.8
61 3 3 -1 31.187 62.374 1.4875 152.4 16.4 15.6 5.8
62 1 5 -5 31.376 62.751 1.47947 24.4 2.6 2.5 5.9
63 2 2 -8 31.635 63.271 1.46856 35.3 3.8 3.6 5.9
64 0 6 2 31.873 63.746 1.45877 25.7 2.8 2.6 5.9
65 3 3 -3 31.941 63.883 1.45596 56.6 6.1 5.8 5.9
66 2 2 7 32.5 64.999 1.43363 20.3 2.2 2.1 5.9
67 0 0 10 32.529 65.059 1.43246 12.6 1.4 1.3 5.9
68 1 5 5 32.586 65.172 1.43024 10.2 1.1 1.0 5.9
69 2 4 -6 32.635 65.27 1.42834 10.7 1.2 1.1 5.9
70 1 5 -6 33.272 66.545 1.40403 12.7 1.4 1.3 5.9
71 0 4 8 33.45 66.901 1.39742 30.0 3.2 3.1 5.9
72 1 3 -9 33.624 67.248 1.39105 30.0 3.2 3.1 5.9
73 0 6 4 34.051 68.102 1.37568 27.8 3.0 2.8 5.9
74 3 3 3 34.084 68.169 1.37449 27.0 2.9 2.7 5.9
75 3 3 -5 34.128 68.256 1.37294 15.0 1.6 1.5 5.9
76 2 2 -9 34.479 68.958 1.36067 13.0 1.4 1.3 5.9
77 2 2 8 35.417 70.835 1.32915 14.9 1.6 1.5 5.9
78 1 3 9 35.717 71.433 1.31948 135.4 14.6 13.7 5.9
79 2 0 -10 35.785 71.569 1.3173 70.8 7.6 7.2 5.9
80 0 4 9 36.451 72.902 1.29647 10.5 1.1 1.1 6.0
81 2 6 0 36.749 73.499 1.28741 45.1 4.9 4.5 6.0
82 4 0 -2 36.828 73.656 1.28505 23.2 2.5 2.3 6.0
83 2 6 -2 36.987 73.973 1.28032 15.2 1.6 1.5 6.0
84 4 0 0 37.044 74.088 1.27863 13.4 1.4 1.3 6.0
85 3 3 5 37.567 75.134 1.26341 23.4 2.5 2.3 6.0
86 3 3 -7 37.63 75.26 1.2616 19.1 2.1 1.9 6.0
87 2 6 2 37.888 75.776 1.25428 48.6 5.2 4.9 6.0
88 4 0 -4 37.987 75.973 1.25152 36.7 4.0 3.7 6.0
89 1 7 0 38.437 76.873 1.2391 22.2 2.4 2.2 6.0
90 1 7 -1 38.495 76.99 1.23751 14.5 1.6 1.5 6.0
91 2 6 -4 38.59 77.181 1.23492 29.1 3.1 2.9 6.0
92 3 5 0 38.63 77.26 1.23386 33.2 3.6 3.3 6.0
93 1 7 1 38.718 77.436 1.23149 12.8 1.4 1.3 6.0
94 4 2 0 38.799 77.598 1.22932 12.8 1.4 1.3 6.0
95 4 2 -3 38.989 77.978 1.22427 21.2 2.3 2.1 6.0
96 3 5 1 39.133 78.267 1.22048 23.9 2.6 2.4 6.0
97 1 5 8 39.729 79.458 1.20515 16.2 1.7 1.6 6.0
98 3 5 2 39.972 79.943 1.19905 10.6 1.1 1.0 6.0
99 0 0 12 40.187 80.373 1.19372 14.2 1.5 1.4 6.0
100 2 0 10 40.272 80.543 1.19162 11.6 1.3 1.1 6.1
101 1 3 -11 40.309 80.618 1.1907 21.6 2.3 2.1 6.1
102 2 6 4 40.364 80.727 1.18937 24.6 2.7 2.4 6.1
103 2 4 8 40.683 81.366 1.18164 13.5 1.5 1.3 6.1
104 2 2 10 41.989 83.978 1.15141 9.5 1.0 0.9 6.1
105 3 3 7 42.274 84.549 1.14509 12.3 1.3 1.2 6.1
106 0 8 1 43.74 87.479 1.11411 13.3 1.4 1.3 6.2
107 2 6 6 44.132 88.265 1.10622 41.9 4.5 4.1 6.2
108 4 0 -8 44.269 88.537 1.10352 20.8 2.2 2.0 6.2
109 2 2 -12 44.499 88.998 1.099 17.6 1.9 1.7 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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