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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WINDHOEKITE
1, f-palygorskite-sepiolite, DN
Ca(2)Fe+++(3)[Si(8)O(20)](OH)(4).10H(2)O
Monoclinic C 2/m Z = 2
C2/m
31 .1 .13
Ref.Str.:
Chukanov N.V., Britvin S.N., Blass G., Belakovskiy D.I., Van K.V. (2012)
* Eur. J. Mineral., 24, 171-179
R: from the Aris phonolite, Namibia.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.319 alpha = 90.0
b = 17.825 beta = 103.5
c = 5.242 gamma = 90.0
Unit cell volume (cub. angs.) = 1300.98
Molar volume ( cub.cm/mol.) = 391.81
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.313 0.0 0.0 Ca = 0.62, Mn = 0.04
2 0.5 0.23 0.5 0.0 Ca = 0.37, Mn = 0.03
3 0.5 0.5 0.0 0.0 Fe = 1.00
4 0.5 0.4126 0.5 0.0 Fe = 0.88, Fe = 0.0
5 0.3001 0.4162 0.0314 0.0 Si = 1.00
6 0.2987 0.3313 0.5262 0.0 Si = 1.00
7 0.418 0.4167 0.1144 0.0 O = 1.00
8 0.4154 0.3308 0.591 0.0 O = 1.00
9 0.25 0.25 0.5 0.0 O = 1.00
10 0.5685 0.5 0.3644 0.0 O = 1.00
11 0.2576 0.5 0.0015 0.0 O = 1.00
12 0.2566 0.3735 0.2495 0.0 O = 1.00
13 0.2598 0.3745 0.755 0.0 O = 1.00
14 0.106 0.5 0.361 0.0 H(2)O = 1.00
15 0.4064 0.2302 0.107 0.0 H(2)O = 1.00
16 0.487 0.106 0.698 0.0 H(2)O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.313 0.0
2 2 0.5 0.23 0.5
3 3 0.5 0.5 0.0
4 4 0.5 0.4126 0.5
5 5 0.3001 0.4162 0.0314
6 6 0.2987 0.3313 0.5262
7 7 0.418 0.4167 0.1144
8 8 0.4154 0.3308 0.591
9 9 0.25 0.25 0.5
10 10 0.5685 0.5 0.3644
11 11 0.2576 0.5 0.0015
12 12 0.2566 0.3735 0.2495
13 13 0.2598 0.3745 0.755
14 14 0.106 0.5 0.361
15 15 0.4064 0.2302 0.107
16 16 0.487 0.106 0.698
17 1 0.5 0.687 0.0
18 2 0.5 0.77 0.5
19 4 0.5 0.5874 0.5
20 5 0.6999 0.5838 0.9686
21 6 0.7013 0.6687 0.4738
22 7 0.582 0.5833 0.8856
23 8 0.5846 0.6692 0.409
24 9 0.75 0.75 0.5
25 10 0.4315 0.5 0.6356
26 11 0.7424 0.5 0.9985
27 12 0.7434 0.6265 0.7505
28 13 0.7402 0.6255 0.245
29 14 0.894 0.5 0.639
30 15 0.5936 0.7698 0.893
31 16 0.513 0.894 0.302
32 5 0.3001 0.5838 0.0314
33 6 0.2987 0.6687 0.5262
34 7 0.418 0.5833 0.1144
35 8 0.4154 0.6692 0.591
36 9 0.25 0.75 0.5
37 12 0.2566 0.6265 0.2495
38 13 0.2598 0.6255 0.755
39 15 0.4064 0.7698 0.107
40 16 0.487 0.894 0.698
41 5 0.6999 0.4162 0.9686
42 6 0.7013 0.3313 0.4738
43 7 0.582 0.4167 0.8856
44 8 0.5846 0.3308 0.409
45 9 0.75 0.25 0.5
46 12 0.7434 0.3735 0.7505
47 13 0.7402 0.3745 0.245
48 15 0.5936 0.2302 0.893
49 16 0.513 0.106 0.302
50 1 0.0 0.187 0.0
51 2 0.0 0.27 0.5
52 3 0.0 0.0 0.0
53 4 0.0 0.0874 0.5
54 5 0.8001 0.0838 0.0314
55 6 0.7987 0.1687 0.5262
56 7 0.918 0.0833 0.1144
57 8 0.9154 0.1692 0.591
58 10 0.0685 0.0 0.3644
59 11 0.7576 0.0 0.0015
60 12 0.7566 0.1265 0.2495
61 13 0.7598 0.1255 0.755
62 14 0.606 0.0 0.361
63 15 0.9064 0.2698 0.107
64 16 0.987 0.394 0.698
65 1 0.0 0.813 0.0
66 2 0.0 0.73 0.5
67 4 0.0 0.9126 0.5
68 5 0.1999 0.9162 0.9686
69 6 0.2013 0.8313 0.4738
70 7 0.082 0.9167 0.8856
71 8 0.0846 0.8308 0.409
72 10 0.9315 0.0 0.6356
73 11 0.2424 0.0 0.9985
74 12 0.2434 0.8735 0.7505
75 13 0.2402 0.8745 0.245
76 14 0.394 0.0 0.639
77 15 0.0936 0.7302 0.893
78 16 0.013 0.606 0.302
79 5 0.8001 0.9162 0.0314
80 6 0.7987 0.8313 0.5262
81 7 0.918 0.9167 0.1144
82 8 0.9154 0.8308 0.591
83 12 0.7566 0.8735 0.2495
84 13 0.7598 0.8745 0.755
85 15 0.9064 0.7302 0.107
86 16 0.987 0.606 0.698
87 5 0.1999 0.0838 0.9686
88 6 0.2013 0.1687 0.4738
89 7 0.082 0.0833 0.8856
90 8 0.0846 0.1692 0.409
91 12 0.2434 0.1265 0.7505
92 13 0.2402 0.1255 0.245
93 15 0.0936 0.2698 0.893
94 16 0.013 0.394 0.302
X-ray density (g/cm cub.) = 2.55
MU (1/cm) = 147.649 Mass attenuation coefficient (cm**2/g) = 57.974
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Mn 3.048 6
2.3418 7
2.2253 8
2.1541 15
2.3418 7
2.2253 8
2.1541 15
2 Ca ,Mn 3.048 6
2.2788 8
2.1797 15
2.4673 16
2.2788 8
2.1797 15
2.4673 16
3 Fe 2.76 6
2.0668 7
1.9329 10
2.0668 7
1.9329 10
2.0668 7
2.0668 7
4 Fe ,Fe 2.76 6
2.0884 7
2.0226 8
2.0542 10
2.0542 10
2.0884 7
2.0226 8
5 Si 2.268 4
1.6421 7
1.6067 11
1.6146 12
1.6107 13
6 Si 2.268 4
1.6257 8
1.6002 9
1.6201 12
1.629 13
7 O 3.432 12
2.9379 8
3.1346 8
2.6921 10
2.6824 11
2.6832 12
2.6933 13
3.3283 15
3.0757 10
2.9611 10
2.9696 7
2.8754 7
2.9496 8
8 O 3.432 11
3.1346 7
2.9379 7
2.7173 9
2.6559 12
2.6841 13
3.2728 15
3.0849 15
3.0297 10
2.9496 7
2.8034 8
3.2166 15
9 O 3.432 8
2.7173 8
2.5763 12
2.5776 13
3.3968 15
2.7173 8
2.5763 12
2.5776 13
3.3968 15
10 O 3.432 9
2.6921 7
3.0757 7
2.9611 7
3.0297 8
2.6779 10
2.6921 7
3.0757 7
2.9611 7
3.0297 8
11 O 3.432 7
2.6824 7
2.6045 12
2.5873 13
3.1896 14
2.6824 7
2.6045 12
2.5873 13
12 O 3.432 8
2.6832 7
2.6559 8
2.5763 9
2.6045 11
2.6396 13
2.6033 13
3.2657 14
3.2125 15
13 O 3.432 7
2.6933 7
2.6841 8
2.5776 9
2.5873 11
2.6033 12
2.6396 12
3.2363 15
14 H(2)O 3.6 10
3.5471 11
3.1896 11
3.2657 12
3.4636 13
3.2657 12
3.4636 13
3.3166 16
2.2906 16
3.3166 16
2.2906 16
15 H(2)O 3.6 13
3.3283 7
3.0849 8
3.2728 8
3.3968 9
3.455 9
3.5258 12
3.5523 13
3.4619 16
3.2166 8
3.1381 15
2.7473 16
3.2125 12
3.2363 13
16 H(2)O 3.6 7
3.4619 15
2.7473 15
3.1005 16
2.1928 16
3.3166 14
2.2906 14
3.5811 12
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 4.676 9.352 0.046 298.0 4 215.8 3279.6
2 0 2 0 5.76 11.52 0.056 195.59 2 35.5 29.2
3 2 0 0 7.382 14.764 0.072 118.2 2 37.0 19.1
4 2 2 0 9.383 18.766 0.091 72.32 4 47.5 38.6
5 1 3 0 9.42 18.84 0.091 71.73 4 29.7 15.0
6 0 0 1 10.107 20.213 0.098 62.03 2 32.5 7.7
7 1 1 -1 10.333 20.667 0.1 59.25 4 7.7 0.8
8 2 0 -1 11.056 22.112 0.107 51.49 2 28.3 4.9
9 3 1 0 11.487 22.975 0.111 47.54 4 10.5 1.2
10 0 4 0 11.579 23.158 0.112 46.75 2 122.6 83.0
11 0 2 1 11.663 23.326 0.113 46.05 4 117.2 149.4
12 1 1 1 11.926 23.852 0.116 43.96 4 50.9 26.9
13 2 2 -1 12.5 25.0 0.121 39.82 4 110.0 113.9
14 1 3 -1 13.223 26.445 0.128 35.37 4 33.3 9.3
15 3 1 -1 13.521 27.042 0.131 33.74 4 47.0 17.6
16 2 4 0 13.787 27.575 0.133 32.37 4 114.6 100.4
17 2 0 1 13.915 27.829 0.134 31.75 2 43.1 7.0
18 3 3 0 14.155 28.311 0.137 30.61 4 124.8 112.7
19 1 3 1 14.518 29.037 0.14 29.0 4 106.3 77.4
20 4 0 0 14.89 29.78 0.144 27.48 2 335.2 364.7
21 1 5 0 15.01 30.021 0.145 27.01 4 0.3 0.0
22 2 2 1 15.104 30.209 0.146 26.65 4 160.5 162.2
23 0 4 1 15.463 30.926 0.149 25.34 4 76.0 34.6
24 3 3 -1 15.873 31.747 0.153 23.95 4 117.1 77.6
25 4 0 -1 15.978 31.956 0.154 23.61 2 26.7 2.0
26 4 2 0 16.014 32.028 0.154 23.5 4 41.9 9.7
27 2 4 -1 16.117 32.234 0.155 23.17 4 86.2 40.7
28 4 2 -1 17.037 34.074 0.164 20.54 4 139.7 94.7
29 3 1 1 17.078 34.156 0.164 20.44 4 12.8 0.8
30 0 6 0 17.523 35.045 0.168 19.32 2 36.0 3.0
31 1 5 -1 17.717 35.434 0.17 18.86 4 94.4 39.7
32 2 4 1 18.254 36.509 0.175 17.67 4 75.8 24.0
33 3 5 0 18.444 36.888 0.177 17.27 4 91.1 33.9
34 1 5 1 18.732 37.465 0.18 16.69 4 4.8 0.1
35 5 1 0 18.972 37.944 0.182 16.23 4 173.7 115.7
36 4 4 0 19.03 38.061 0.182 16.12 4 122.8 57.4
37 3 3 1 19.037 38.073 0.182 16.11 4 60.8 14.1
38 2 6 0 19.108 38.216 0.183 15.97 4 48.0 8.7
39 5 1 -1 19.385 38.771 0.186 15.47 4 28.7 3.0
40 3 5 -1 19.832 39.664 0.19 14.71 4 279.4 271.3
41 4 4 -1 19.918 39.836 0.19 14.57 4 64.5 14.3
42 4 0 1 20.08 40.16 0.192 14.31 2 49.3 4.1
43 2 0 -2 20.147 40.294 0.193 14.2 2 114.6 22.0
44 1 1 -2 20.206 40.411 0.193 14.11 4 126.5 53.4
45 0 6 1 20.395 40.79 0.195 13.82 4 70.7 16.3
46 0 0 2 20.546 41.093 0.196 13.59 2 266.1 113.8
47 5 3 0 20.777 41.554 0.198 13.26 4 31.0 3.0
48 2 6 -1 20.914 41.828 0.2 13.07 4 290.9 261.4
49 1 7 0 20.921 41.843 0.2 13.06 4 0.6 0.0
50 4 2 1 20.959 41.918 0.2 13.0 4 54.1 9.0
51 2 2 -2 21.024 42.047 0.201 12.91 4 4.2 0.1
52 5 3 -1 21.161 42.322 0.202 12.73 4 35.8 3.9
53 3 1 -2 21.241 42.482 0.203 12.62 4 37.0 4.1
54 0 2 2 21.41 42.819 0.204 12.4 4 11.0 0.4
55 1 3 -2 21.926 43.853 0.209 11.75 4 0.3 0.0
56 1 1 2 22.001 44.003 0.209 11.66 4 229.7 145.4
57 3 5 1 22.519 45.037 0.214 11.07 4 160.8 67.6
58 4 0 -2 22.553 45.106 0.214 11.03 2 34.8 1.6
59 6 0 -1 22.608 45.217 0.215 10.97 2 4.8 0.0
60 2 6 1 22.664 45.328 0.215 10.91 4 78.6 15.9
61 6 0 0 22.672 45.343 0.215 10.9 2 32.4 1.4
62 3 3 -2 22.899 45.797 0.218 10.66 4 42.8 4.6
63 1 7 -1 23.03 46.059 0.219 10.52 4 31.9 2.5
64 4 6 0 23.318 46.635 0.221 10.23 4 41.8 4.2
65 4 2 -2 23.356 46.713 0.222 10.19 4 23.2 1.3
66 6 2 -1 23.41 46.821 0.222 10.14 4 25.4 1.6
67 4 4 1 23.435 46.869 0.222 10.11 4 60.1 8.6
68 6 2 0 23.472 46.944 0.223 10.08 4 41.0 4.0
69 2 4 -2 23.494 46.987 0.223 10.05 4 46.4 5.1
70 1 3 2 23.617 47.233 0.224 9.94 4 70.4 11.6
71 3 7 0 23.619 47.239 0.224 9.93 4 13.9 0.5
72 2 0 2 23.636 47.271 0.224 9.92 2 249.8 73.1
73 0 8 0 23.668 47.337 0.224 9.89 2 81.0 7.7
74 5 1 1 23.796 47.593 0.226 9.77 4 33.8 2.6
75 0 4 2 23.848 47.695 0.226 9.72 4 96.5 21.4
76 1 7 1 23.856 47.712 0.226 9.71 4 2.8 0.0
77 5 5 0 24.053 48.106 0.228 9.53 4 42.7 4.1
78 4 6 -1 24.076 48.152 0.228 9.51 4 258.7 150.4
79 5 5 -1 24.396 48.792 0.231 9.23 4 140.6 43.1
80 2 2 2 24.412 48.823 0.231 9.22 4 8.2 0.1
81 3 7 -1 24.769 49.538 0.234 8.92 4 119.6 30.2
82 5 1 -2 24.822 49.644 0.235 8.87 4 160.7 54.1
83 2 8 0 24.929 49.859 0.236 8.79 4 37.6 2.9
84 1 5 -2 25.084 50.167 0.237 8.66 4 7.5 0.1
85 5 3 1 25.323 50.646 0.239 8.48 4 14.9 0.4
86 4 4 -2 25.651 51.302 0.242 8.23 4 104.7 21.3
87 6 4 -1 25.701 51.402 0.242 8.2 4 46.9 4.3
88 6 4 0 25.759 51.517 0.243 8.16 4 21.8 0.9
89 3 5 -2 25.965 51.93 0.245 8.01 4 4.6 0.0
90 0 8 1 25.984 51.968 0.245 8.0 4 8.9 0.2
91 3 1 2 26.163 52.326 0.246 7.87 4 81.2 12.3
92 5 3 -2 26.305 52.61 0.248 7.78 4 55.1 5.6
93 2 8 -1 26.416 52.833 0.249 7.7 4 11.2 0.2
94 7 1 -1 26.471 52.942 0.249 7.66 4 15.5 0.4
95 1 5 2 26.621 53.242 0.25 7.57 4 64.8 7.5
96 2 4 2 26.638 53.277 0.251 7.56 4 7.1 0.1
97 7 1 0 26.903 53.806 0.253 7.39 4 86.7 13.1
98 3 7 1 27.071 54.142 0.254 7.28 4 106.3 19.4
99 1 9 0 27.14 54.28 0.255 7.24 4 93.7 15.0
100 4 6 1 27.171 54.342 0.255 7.22 4 157.3 42.2
101 6 0 -2 27.175 54.35 0.255 7.22 2 137.9 16.2
102 2 6 -2 27.224 54.448 0.256 7.19 4 3.6 0.0
103 6 0 1 27.341 54.682 0.257 7.12 2 49.7 2.1
104 0 6 2 27.543 55.086 0.258 7.0 4 0.6 0.0
105 3 3 2 27.594 55.189 0.259 6.97 4 29.5 1.4
106 6 2 -2 27.879 55.759 0.261 6.81 4 17.8 0.5
107 7 3 -1 27.891 55.783 0.261 6.81 4 52.0 4.4
108 2 8 1 27.902 55.803 0.262 6.8 4 24.0 0.9
109 6 2 1 28.042 56.085 0.263 6.72 4 18.4 0.5
110 5 5 1 28.195 56.391 0.264 6.64 4 33.8 1.8
111 7 3 0 28.309 56.617 0.265 6.58 4 97.0 14.6
112 5 7 0 28.423 56.847 0.266 6.52 4 24.8 0.9
113 4 8 0 28.466 56.932 0.266 6.5 4 84.0 10.8
114 5 7 -1 28.729 57.457 0.269 6.36 4 1.7 0.0
115 4 0 2 28.748 57.495 0.269 6.35 2 190.9 27.4
116 1 9 -1 28.904 57.808 0.27 6.28 4 48.0 3.4
117 5 5 -2 29.11 58.22 0.272 6.18 4 49.7 3.6
118 4 8 -1 29.127 58.255 0.272 6.17 4 21.6 0.7
119 4 6 -2 29.183 58.365 0.273 6.14 4 1.2 0.0
120 6 6 -1 29.229 58.458 0.273 6.12 4 165.2 39.5
121 6 6 0 29.282 58.563 0.273 6.1 4 45.3 3.0
122 1 7 -2 29.345 58.689 0.274 6.07 4 2.6 0.0
123 3 9 0 29.408 58.816 0.274 6.04 4 46.1 3.0
124 4 2 2 29.427 58.854 0.275 6.03 4 26.9 1.0
125 1 9 1 29.611 59.222 0.276 5.94 4 74.7 7.8
126 6 4 -2 29.926 59.851 0.279 5.81 4 28.6 1.1
127 6 4 1 30.082 60.163 0.28 5.74 4 66.8 6.1
128 2 6 2 30.092 60.183 0.28 5.73 4 2.1 0.0
129 0 10 0 30.119 60.238 0.281 5.72 2 160.1 17.3
130 3 7 -2 30.14 60.28 0.281 5.71 4 3.8 0.0
131 8 0 -1 30.186 60.372 0.281 5.69 2 2.2 0.0
132 7 1 -2 30.279 60.558 0.282 5.66 4 38.0 1.9
133 3 5 2 30.32 60.64 0.282 5.64 4 45.5 2.8
134 3 9 -1 30.402 60.805 0.283 5.6 4 25.4 0.9
135 7 5 -1 30.6 61.2 0.285 5.52 4 265.3 91.9
136 1 7 2 30.736 61.473 0.286 5.47 4 23.8 0.7
137 2 0 -3 30.793 61.585 0.286 5.45 2 5.2 0.0
138 8 2 -1 30.845 61.691 0.287 5.43 4 33.2 1.4
139 8 0 0 30.926 61.852 0.287 5.4 2 122.2 9.5
140 7 5 0 30.994 61.988 0.288 5.37 4 56.9 4.1
141 1 1 -3 31.177 62.354 0.289 5.3 4 44.9 2.5
142 2 10 0 31.197 62.395 0.29 5.29 4 134.1 22.5
143 3 1 -3 31.27 62.54 0.29 5.27 4 22.2 0.6
144 4 4 2 31.41 62.82 0.291 5.21 4 154.0 29.2
145 2 2 -3 31.445 62.889 0.292 5.2 4 65.2 5.2
146 7 1 1 31.46 62.919 0.292 5.2 4 15.2 0.3
147 8 2 0 31.577 63.154 0.293 5.15 4 16.4 0.3
148 7 3 -2 31.588 63.176 0.293 5.15 4 23.9 0.7
149 0 0 3 31.766 63.531 0.294 5.09 2 8.0 0.0
150 4 8 1 31.886 63.773 0.295 5.05 4 7.2 0.1
151 2 8 -2 31.934 63.869 0.296 5.03 4 57.6 3.9
152 4 0 -3 31.949 63.898 0.296 5.02 2 5.1 0.0
153 5 1 2 32.044 64.088 0.297 4.99 4 209.8 51.9
154 0 10 1 32.114 64.227 0.297 4.97 4 94.6 10.5
155 5 7 1 32.182 64.363 0.298 4.94 4 44.5 2.3
156 0 8 2 32.224 64.447 0.298 4.93 4 131.5 20.1
157 0 2 3 32.407 64.814 0.3 4.87 4 129.7 19.4
158 3 9 1 32.437 64.873 0.3 4.86 4 23.8 0.6
159 1 3 -3 32.465 64.931 0.3 4.85 4 30.7 1.1
160 2 10 -1 32.493 64.986 0.3 4.84 4 60.8 4.2
161 3 3 -3 32.556 65.112 0.301 4.82 4 48.5 2.7
162 4 2 -3 32.588 65.177 0.301 4.81 4 79.2 7.1
163 7 3 1 32.742 65.484 0.302 4.76 4 108.3 13.2
164 8 4 -1 32.778 65.557 0.303 4.75 4 54.8 3.4
165 5 7 -2 33.029 66.059 0.305 4.68 4 63.3 4.4
166 6 6 -2 33.163 66.326 0.306 4.64 4 6.0 0.0
167 1 1 3 33.185 66.369 0.306 4.63 4 7.5 0.1
168 6 6 1 33.311 66.621 0.307 4.59 4 143.4 22.3
169 5 3 2 33.314 66.628 0.307 4.59 4 33.2 1.2
170 2 4 -3 33.358 66.717 0.307 4.58 4 32.2 1.1
171 8 0 -2 33.404 66.807 0.308 4.57 2 105.8 6.0
172 5 1 -3 33.453 66.907 0.308 4.55 4 26.7 0.8
173 8 4 0 33.486 66.973 0.308 4.54 4 23.9 0.6
174 5 9 0 33.656 67.311 0.31 4.49 4 2.9 0.0
175 4 8 -2 33.725 67.45 0.31 4.47 4 98.8 10.3
176 1 11 0 33.759 67.519 0.311 4.46 4 217.6 49.9
177 6 8 -1 33.767 67.535 0.311 4.46 4 17.3 0.3
178 2 10 1 33.81 67.621 0.311 4.45 4 81.0 6.9
179 6 8 0 33.816 67.632 0.311 4.45 4 105.3 11.7
180 5 9 -1 33.933 67.866 0.312 4.42 4 92.9 9.0
181 8 2 -2 34.029 68.057 0.313 4.39 4 1.6 0.0
182 7 5 -2 34.121 68.243 0.314 4.37 4 66.7 4.6
183 3 7 2 34.16 68.319 0.314 4.36 4 30.3 0.9
184 0 4 3 34.292 68.584 0.315 4.32 4 49.5 2.5
185 4 10 0 34.317 68.634 0.315 4.32 4 102.7 10.7
186 7 7 -1 34.423 68.845 0.316 4.29 4 162.8 26.9
187 1 3 3 34.433 68.866 0.316 4.29 4 76.2 5.9
188 9 1 -1 34.464 68.928 0.316 4.28 4 19.8 0.4
189 4 4 -3 34.469 68.937 0.316 4.28 4 14.8 0.2
190 1 9 -2 34.495 68.99 0.317 4.27 4 58.4 3.4
191 2 8 2 34.566 69.132 0.317 4.25 4 58.4 3.4
192 4 6 2 34.57 69.141 0.317 4.25 4 4.3 0.0
193 5 3 -3 34.697 69.394 0.318 4.22 4 73.3 5.4
194 2 0 3 34.771 69.541 0.319 4.2 2 33.6 0.6
195 7 7 0 34.793 69.587 0.319 4.19 4 20.1 0.4
196 4 10 -1 34.914 69.828 0.32 4.17 4 90.2 8.0
197 1 5 -3 34.966 69.932 0.32 4.15 4 219.6 47.3
198 3 5 -3 35.054 70.107 0.321 4.13 4 238.5 55.6
199 6 0 -3 35.121 70.242 0.322 4.12 2 10.5 0.1
200 3 9 -2 35.226 70.452 0.322 4.09 4 133.0 17.1
201 7 5 1 35.233 70.465 0.322 4.09 4 214.8 44.6
202 1 11 -1 35.326 70.651 0.323 4.07 4 0.7 0.0
203 6 0 2 35.36 70.72 0.323 4.06 2 195.4 18.3
204 2 2 3 35.384 70.768 0.324 4.05 4 49.1 2.3
205 9 1 0 35.475 70.95 0.324 4.03 4 96.7 8.9
206 8 0 1 35.489 70.977 0.325 4.03 2 42.0 0.8
207 9 3 -1 35.691 71.382 0.326 3.99 4 88.4 7.4
208 6 2 -3 35.732 71.464 0.326 3.98 4 70.6 4.7
209 1 9 2 35.777 71.554 0.327 3.97 4 48.0 2.2
210 3 11 0 35.779 71.558 0.327 3.97 4 50.7 2.4
211 5 5 2 35.785 71.571 0.327 3.97 4 15.2 0.2
212 8 4 -2 35.873 71.745 0.328 3.95 4 180.5 30.4
213 8 6 -1 35.878 71.756 0.328 3.95 4 199.8 37.2
214 1 11 1 35.962 71.925 0.328 3.93 4 38.9 1.4
215 6 2 2 35.969 71.938 0.328 3.93 4 40.5 1.5
216 8 2 1 36.097 72.194 0.329 3.9 4 24.4 0.5
217 2 6 -3 36.435 72.869 0.332 3.83 4 305.8 84.6
218 8 6 0 36.558 73.115 0.333 3.81 4 28.6 0.7
219 3 11 -1 36.68 73.361 0.334 3.78 4 59.3 3.1
220 9 3 0 36.688 73.375 0.334 3.78 4 42.4 1.6
221 1 5 3 36.871 73.741 0.335 3.74 4 72.6 4.7
222 0 12 0 37.025 74.05 0.337 3.72 2 266.6 31.2
223 3 1 3 37.119 74.238 0.337 3.7 4 38.9 1.3
224 5 9 1 37.123 74.246 0.337 3.7 4 95.5 8.0
225 5 5 -3 37.127 74.255 0.337 3.7 4 77.7 5.3
226 9 1 -2 37.182 74.364 0.338 3.69 4 197.2 33.9
227 2 4 3 37.199 74.398 0.338 3.68 4 36.8 1.2
228 0 6 3 37.334 74.668 0.339 3.66 4 79.4 5.4
229 4 10 1 37.446 74.892 0.34 3.64 4 36.9 1.2
230 6 8 -2 37.45 74.899 0.34 3.64 4 27.5 0.6
231 2 10 -2 37.491 74.981 0.34 3.63 4 23.9 0.5
232 4 6 -3 37.504 75.009 0.34 3.63 4 81.4 5.7
233 6 4 -3 37.54 75.08 0.341 3.62 4 32.5 0.9
234 7 1 -3 37.545 75.091 0.341 3.62 4 33.2 0.9
235 6 8 1 37.59 75.179 0.341 3.61 4 8.7 0.1
236 0 10 2 37.76 75.52 0.342 3.58 4 64.7 3.5
237 7 7 -2 37.767 75.534 0.342 3.58 4 21.1 0.4
238 6 4 2 37.773 75.546 0.342 3.58 4 100.8 8.6
239 8 4 1 37.898 75.797 0.343 3.56 4 69.1 4.0
240 5 9 -2 37.92 75.839 0.344 3.56 4 2.5 0.0
241 2 12 0 38.004 76.008 0.344 3.54 4 50.1 2.1
242 9 5 -1 38.096 76.191 0.345 3.53 4 62.3 3.2
243 3 3 3 38.311 76.623 0.347 3.49 4 6.1 0.0
244 9 3 -2 38.374 76.748 0.347 3.48 4 31.2 0.8
245 3 11 1 38.552 77.104 0.348 3.46 4 7.7 0.0
246 1 7 -3 38.579 77.158 0.349 3.45 4 79.5 5.2
247 3 7 -3 38.663 77.326 0.349 3.44 4 98.9 8.0
248 10 0 -1 38.696 77.392 0.349 3.43 2 23.8 0.2
249 7 3 -3 38.734 77.467 0.35 3.43 4 32.6 0.9
250 4 8 2 38.79 77.581 0.35 3.42 4 29.4 0.7
251 7 7 1 38.836 77.672 0.351 3.41 4 105.2 8.9
252 0 12 1 38.845 77.689 0.351 3.41 4 38.5 1.2
253 8 6 -2 38.865 77.73 0.351 3.41 4 6.4 0.0
254 3 9 2 38.989 77.978 0.352 3.39 4 44.3 1.6
255 9 5 0 39.07 78.14 0.352 3.38 4 26.9 0.6
256 4 10 -2 39.167 78.335 0.353 3.37 4 53.8 2.3
257 2 12 -1 39.195 78.39 0.353 3.36 4 14.6 0.2
258 6 10 -1 39.208 78.415 0.353 3.36 4 2.1 0.0
259 7 9 -1 39.239 78.479 0.354 3.36 4 39.0 1.2
260 6 10 0 39.253 78.507 0.354 3.35 4 95.6 7.2
261 10 2 -1 39.286 78.572 0.354 3.35 4 30.7 0.7
262 7 1 2 39.325 78.651 0.354 3.34 4 51.0 2.1
263 5 7 2 39.37 78.74 0.355 3.34 4 36.8 1.1
264 7 9 0 39.593 79.185 0.356 3.31 4 49.0 1.9
265 4 0 3 39.602 79.203 0.356 3.31 2 6.6 0.0
266 5 11 0 39.69 79.381 0.357 3.29 4 140.4 15.3
267 5 11 -1 39.951 79.902 0.359 3.26 4 15.0 0.2
268 2 10 2 39.963 79.926 0.359 3.26 4 73.1 4.1
269 10 0 0 39.972 79.945 0.359 3.26 2 254.3 24.9
270 8 8 -1 40.046 80.092 0.36 3.25 4 7.9 0.0
271 8 0 -3 40.103 80.207 0.36 3.24 2 13.2 0.1
272 9 1 1 40.104 80.209 0.36 3.24 4 32.0 0.8
273 2 6 3 40.157 80.315 0.36 3.24 4 70.9 3.8
274 4 2 3 40.188 80.376 0.361 3.23 4 1.9 0.0
275 2 12 1 40.421 80.843 0.362 3.2 4 36.0 1.0
276 1 7 3 40.422 80.845 0.362 3.2 4 8.9 0.1
277 1 11 -2 40.481 80.962 0.363 3.2 4 113.9 9.8
278 6 6 -3 40.491 80.982 0.363 3.2 4 57.9 2.5
279 7 3 2 40.498 80.996 0.363 3.19 4 51.1 2.0
280 10 2 0 40.557 81.115 0.363 3.19 4 3.3 0.0
281 2 8 -3 40.584 81.168 0.364 3.18 4 21.8 0.4
282 3 5 3 40.664 81.328 0.364 3.18 4 179.2 24.1
283 5 7 -3 40.672 81.344 0.364 3.17 4 6.5 0.0
284 8 2 -3 40.688 81.376 0.364 3.17 4 0.3 0.0
285 8 8 0 40.703 81.406 0.365 3.17 4 141.4 15.0
286 6 6 2 40.719 81.438 0.365 3.17 4 8.7 0.1
287 9 5 -2 40.725 81.451 0.365 3.17 4 34.8 0.9
288 8 6 1 40.842 81.683 0.366 3.16 4 335.4 83.9
289 4 12 0 40.897 81.794 0.366 3.15 4 49.5 1.8
290 1 13 0 40.957 81.915 0.366 3.14 4 68.4 3.5
291 10 0 -2 41.011 82.022 0.367 3.14 2 305.0 34.5
292 10 4 -1 41.042 82.085 0.367 3.13 4 39.0 1.1
293 7 5 -3 41.08 82.159 0.367 3.13 4 156.4 18.1
294 3 11 -2 41.174 82.348 0.368 3.12 4 13.1 0.1
295 9 3 1 41.272 82.543 0.369 3.11 4 13.5 0.1
296 0 8 3 41.456 82.912 0.37 3.09 4 47.1 1.6
297 4 12 -1 41.46 82.92 0.37 3.09 4 1.2 0.0
298 10 2 -2 41.593 83.186 0.371 3.08 4 0.4 0.0
299 9 7 -1 41.617 83.234 0.371 3.07 4 21.5 0.3
300 4 8 -3 41.622 83.243 0.371 3.07 4 8.8 0.1
301 1 11 2 41.699 83.398 0.372 3.07 4 234.7 39.9
302 4 4 3 41.936 83.872 0.374 3.04 4 28.2 0.6
303 10 4 0 42.302 84.605 0.376 3.01 4 23.7 0.4
304 1 13 -1 42.43 84.86 0.377 3.0 4 22.5 0.4
305 8 4 -3 42.432 84.864 0.377 3.0 4 42.2 1.3
306 7 9 -2 42.457 84.914 0.377 3.0 4 69.7 3.4
307 9 7 0 42.572 85.144 0.378 2.99 4 1.4 0.0
308 6 10 -2 42.728 85.456 0.379 2.98 4 56.2 2.2
309 5 1 3 42.809 85.617 0.38 2.97 4 6.0 0.0
310 7 5 2 42.823 85.646 0.38 2.97 4 7.2 0.0
311 3 13 0 42.86 85.721 0.38 2.96 4 0.8 0.0
312 6 10 1 42.864 85.728 0.38 2.96 4 4.7 0.0
313 8 8 -2 42.95 85.899 0.381 2.96 4 1.0 0.0
314 5 11 1 42.991 85.982 0.381 2.95 4 13.8 0.1
315 1 13 1 43.035 86.07 0.381 2.95 4 13.1 0.1
316 2 0 -4 43.114 86.228 0.382 2.95 2 126.4 5.6
317 3 1 -4 43.234 86.469 0.383 2.94 4 26.5 0.5
318 1 9 -3 43.248 86.496 0.383 2.94 4 6.3 0.0
319 3 9 -3 43.331 86.661 0.384 2.93 4 18.2 0.2
320 10 4 -2 43.332 86.663 0.384 2.93 4 90.1 5.6
321 8 0 2 43.367 86.734 0.384 2.93 2 104.1 3.7
322 9 1 -3 43.386 86.771 0.384 2.93 4 0.6 0.0
323 7 9 1 43.499 86.999 0.385 2.92 4 15.2 0.2
324 4 0 -4 43.539 87.079 0.385 2.91 2 336.0 38.9
325 11 1 -1 43.554 87.109 0.385 2.91 4 19.0 0.2
326 9 5 1 43.59 87.18 0.385 2.91 4 119.5 9.8
327 2 2 -4 43.692 87.384 0.386 2.9 4 39.8 1.1
328 3 13 -1 43.722 87.443 0.386 2.9 4 29.5 0.6
329 1 1 -4 43.756 87.512 0.387 2.9 4 7.0 0.0
330 5 11 -2 43.762 87.524 0.387 2.9 4 172.1 20.3
331 4 12 1 43.881 87.762 0.387 2.89 4 24.3 0.4
332 2 12 -2 43.924 87.848 0.388 2.89 4 164.4 18.5
333 10 6 -1 43.94 87.881 0.388 2.89 4 109.7 8.2
334 8 2 2 43.945 87.89 0.388 2.89 4 27.2 0.5
335 5 3 3 43.965 87.929 0.388 2.89 4 86.6 5.1
336 5 9 2 44.023 88.045 0.388 2.88 4 24.2 0.4
337 4 10 2 44.033 88.065 0.389 2.88 4 84.3 4.8
338 4 2 -4 44.117 88.234 0.389 2.88 4 35.3 0.8
339 3 7 3 44.143 88.286 0.389 2.88 4 116.0 9.1
340 0 12 2 44.185 88.37 0.39 2.87 4 273.0 50.6
341 9 7 -2 44.204 88.408 0.39 2.87 4 20.6 0.3
342 2 8 3 44.22 88.44 0.39 2.87 4 33.2 0.7
343 3 3 -4 44.39 88.779 0.391 2.86 4 35.0 0.8
344 9 3 -3 44.541 89.081 0.392 2.85 4 60.4 2.5
345 6 8 -3 44.549 89.098 0.392 2.85 4 4.9 0.0
346 7 7 -3 44.554 89.109 0.392 2.85 4 104.9 7.4
347 0 0 4 44.582 89.164 0.392 2.85 2 201.6 13.7
348 5 1 -4 44.606 89.212 0.393 2.85 4 146.3 14.4
349 0 14 0 44.63 89.259 0.393 2.85 2 13.5 0.1
350 11 3 -1 44.709 89.418 0.393 2.84 4 18.9 0.2
351 6 8 2 44.774 89.549 0.394 2.84 4 26.0 0.5
352 10 0 1 44.778 89.556 0.394 2.84 2 32.8 0.4
353 3 11 2 44.804 89.608 0.394 2.84 4 87.9 5.2
354 4 6 3 44.827 89.655 0.394 2.84 4 56.5 2.1
355 8 8 1 44.896 89.792 0.395 2.83 4 0.6 0.0
356 1 3 -4 44.911 89.821 0.395 2.83 4 41.0 1.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 4.676 9.352 10.97267 3279.6 100.0 100.0 5.6
2 2 2 0 9.383 18.766 5.48634 38.6 1.2 1.2 5.6
3 0 4 0 11.579 23.158 4.45625 83.0 2.5 2.5 5.6
4 0 2 1 11.663 23.326 4.42466 149.4 4.6 4.5 5.6
5 2 2 -1 12.5 25.0 4.13256 113.9 3.5 3.4 5.6
6 2 4 0 13.787 27.575 3.75318 100.4 3.1 3.0 5.6
7 3 3 0 14.155 28.311 3.65756 112.7 3.4 3.4 5.6
8 1 3 1 14.518 29.037 3.56796 77.4 2.4 2.3 5.6
9 4 0 0 14.89 29.78 3.48084 364.7 11.1 11.0 5.6
10 2 2 1 15.104 30.209 3.4326 162.2 4.9 4.9 5.6
11 0 4 1 15.463 30.926 3.3549 34.6 1.1 1.0 5.6
12 3 3 -1 15.873 31.747 3.27027 77.6 2.4 2.3 5.6
13 2 4 -1 16.117 32.234 3.22208 40.7 1.2 1.2 5.6
14 4 2 -1 17.037 34.074 3.05285 94.7 2.9 2.8 5.7
15 1 5 -1 17.717 35.434 2.93924 39.7 1.2 1.2 5.7
16 3 5 0 18.444 36.888 2.8272 33.9 1.0 1.0 5.7
17 5 1 0 18.972 37.944 2.7513 115.7 3.5 3.5 5.7
18 4 4 0 19.03 38.061 2.74317 71.5 2.2 2.1 5.7
19 3 5 -1 19.832 39.664 2.6365 271.3 8.3 8.1 5.7
20 1 1 -2 20.206 40.411 2.58971 53.4 1.6 1.6 5.7
21 0 0 2 20.546 41.093 2.54858 113.8 3.5 3.4 5.7
22 2 6 -1 20.914 41.828 2.50573 261.4 8.0 7.8 5.7
23 1 1 2 22.001 44.003 2.38758 145.4 4.4 4.3 5.7
24 3 5 1 22.519 45.037 2.33549 67.6 2.1 2.0 5.7
25 2 0 2 23.636 47.271 2.23102 85.2 2.6 2.5 5.7
26 4 6 -1 24.076 48.152 2.19258 154.5 4.7 4.6 5.7
27 5 5 -1 24.396 48.792 2.16555 43.3 1.3 1.3 5.7
28 5 1 -2 24.822 49.644 2.13067 54.1 1.7 1.6 5.7
29 4 6 1 27.171 54.342 1.95875 58.5 1.8 1.7 5.8
30 6 6 -1 29.229 58.458 1.83179 39.5 1.2 1.2 5.8
31 7 5 -1 30.6 61.2 1.75714 91.9 2.8 2.7 5.8
32 5 1 2 32.044 64.088 1.68585 51.9 1.6 1.5 5.9
33 1 11 0 33.759 67.519 1.60959 50.3 1.5 1.4 5.9
34 1 5 -3 34.966 69.932 1.56076 47.3 1.4 1.4 5.9
35 3 5 -3 35.054 70.107 1.55736 55.6 1.7 1.6 5.9
36 7 5 1 35.233 70.465 1.55047 61.7 1.9 1.8 5.9
37 8 6 -1 35.878 71.756 1.52623 67.6 2.1 1.9 5.9
38 2 6 -3 36.435 72.869 1.50607 84.6 2.6 2.4 6.0
39 9 1 -2 37.182 74.364 1.48004 35.1 1.1 1.0 6.0
40 8 6 1 40.842 81.683 1.36774 83.9 2.6 2.3 6.1
41 10 0 -2 41.011 82.022 1.36308 34.5 1.1 1.0 6.1
42 1 11 2 41.699 83.398 1.34462 39.9 1.2 1.1 6.1
43 4 0 -4 43.539 87.079 1.29847 39.1 1.2 1.1 6.1
44 0 12 2 44.185 88.37 1.28335 50.9 1.6 1.4 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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