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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FOGGITE
1, DF
Ca[H(2)O](2).CaAl(2)(OH)(4)[PO(4)](2)
Orthorhombic * A2(1)22 Z = 4
R =0.059 NR =888
21 .2 .1994
Ref.Str.:
P.B.Moore, A.R.Kampf, T.Araki (1975)
* Amer. Mineral., 60, 965-971
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.27 alpha = 90.0
b = 21.324 beta = 90.0
c = 5.19 gamma = 90.0
Unit cell volume (cub. angs.) = 1025.93
Molar volume ( cub.cm/mol.) = 154.49
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.3614 0.0 0.66 Ca = 1.00
2 0.25 0.5 0.087 1.35 Ca = 1.00
3 0.0 0.1945 0.0 0.52 Al = 1.00
4 0.0 0.2622 0.5 0.49 Al = 1.00
5 0.2143 0.3833 0.5702 0.48 P = 1.00
6 0.3756 0.368 0.6243 0.71 O = 1.00
7 0.1255 0.3233 0.6339 0.68 O = 1.00
8 0.1653 0.4324 0.7659 0.76 O = 1.00
9 0.1881 0.404 0.2922 0.87 O = 1.00
10 0.1067 0.2015 0.6844 0.62 OH = 1.00
11 0.9005 0.2608 0.8205 0.57 OH = 1.00
12 0.5 0.4512 0.0 3.34 H(2)O = 0.5 , H(2)O = 0.0
13 0.478 0.4741 0.2165 1.26 H(2)O = 0.25, H(2)O = 0.0
14 0.4617 0.4793 0.3513 0.99 H(2)O = 0.25, H(2)O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.3614 0.0
2 2 0.25 0.5 0.087
3 3 0.0 0.1945 0.0
4 4 0.0 0.2622 0.5
5 5 0.2143 0.3833 0.5702
6 6 0.3756 0.368 0.6243
7 7 0.1255 0.3233 0.6339
8 8 0.1653 0.4324 0.7659
9 9 0.1881 0.404 0.2922
10 10 0.1067 0.2015 0.6844
11 11 0.9005 0.2608 0.8205
12 12 0.5 0.4512 0.0
13 13 0.478 0.4741 0.2165
14 14 0.4617 0.4793 0.3513
15 2 0.75 0.5 0.913
16 5 0.7857 0.3833 0.4298
17 6 0.6244 0.368 0.3757
18 7 0.8745 0.3233 0.3661
19 8 0.8347 0.4324 0.2341
20 9 0.8119 0.404 0.7078
21 10 0.8933 0.2015 0.3156
22 11 0.0995 0.2608 0.1795
23 13 0.522 0.4741 0.7835
24 14 0.5383 0.4793 0.6487
25 1 0.5 0.6386 0.0
26 3 0.5 0.8055 0.0
27 4 0.5 0.7378 0.5
28 5 0.2857 0.6167 0.5702
29 6 0.1244 0.632 0.6243
30 7 0.3745 0.6767 0.6339
31 8 0.3347 0.5676 0.7659
32 9 0.3119 0.596 0.2922
33 10 0.3933 0.7985 0.6844
34 11 0.5995 0.7392 0.8205
35 12 0.0 0.5488 0.0
36 13 0.022 0.5259 0.2165
37 14 0.0383 0.5207 0.3513
38 5 0.7143 0.6167 0.4298
39 6 0.8756 0.632 0.3757
40 7 0.6255 0.6767 0.3661
41 8 0.6653 0.5676 0.2341
42 9 0.6881 0.596 0.7078
43 10 0.6067 0.7985 0.3156
44 11 0.4005 0.7392 0.1795
45 13 0.978 0.5259 0.7835
46 14 0.9617 0.5207 0.6487
47 1 0.5 0.1386 0.5
48 2 0.25 0.0 0.587
49 3 0.5 0.3055 0.5
50 4 0.5 0.2378 0.0
51 5 0.2857 0.1167 0.0702
52 6 0.1244 0.132 0.1243
53 7 0.3745 0.1767 0.1339
54 8 0.3347 0.0676 0.2659
55 9 0.3119 0.096 0.7922
56 10 0.3933 0.2985 0.1844
57 11 0.5995 0.2392 0.3205
58 12 0.0 0.0488 0.5
59 13 0.022 0.0259 0.7165
60 14 0.0383 0.0207 0.8513
61 2 0.75 0.0 0.413
62 5 0.7143 0.1167 0.9298
63 6 0.8756 0.132 0.8757
64 7 0.6255 0.1767 0.8661
65 8 0.6653 0.0676 0.7341
66 9 0.6881 0.096 0.2078
67 10 0.6067 0.2985 0.8156
68 11 0.4005 0.2392 0.6795
69 13 0.978 0.0259 0.2835
70 14 0.9617 0.0207 0.1487
71 1 0.0 0.8614 0.5
72 3 0.0 0.6945 0.5
73 4 0.0 0.7622 0.0
74 5 0.2143 0.8833 0.0702
75 6 0.3756 0.868 0.1243
76 7 0.1255 0.8233 0.1339
77 8 0.1653 0.9324 0.2659
78 9 0.1881 0.904 0.7922
79 10 0.1067 0.7015 0.1844
80 11 0.9005 0.7608 0.3205
81 12 0.5 0.9512 0.5
82 13 0.478 0.9741 0.7165
83 14 0.4617 0.9793 0.8513
84 5 0.7857 0.8833 0.9298
85 6 0.6244 0.868 0.8757
86 7 0.8745 0.8233 0.8661
87 8 0.8347 0.9324 0.7341
88 9 0.8119 0.904 0.2078
89 10 0.8933 0.7015 0.8156
90 11 0.0995 0.7608 0.6795
91 13 0.522 0.9741 0.2835
92 14 0.5383 0.9793 0.1487
X-ray density (g/cm cub.) = 2.71
MU (1/cm) = 147.332 Mass attenuation coefficient (cm**2/g) = 54.314
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 3.048 8
2.3714 7
2.4731 8
2.483 9
2.5141 11
2.3714 7
2.4731 8
2.483 9
2.5141 11
2 Ca 3.048 12
2.3392 8
2.3778 9
2.5802 12
2.2856 13
2.4347 14
3.0239 13
2.3392 8
2.3778 9
2.5802 12
2.2856 13
2.4347 14
3.0239 13
3 Al 2.484 6
1.9193 10
1.9281 11
1.9193 10
1.9281 11
1.8768 6
1.8768 6
4 Al 2.484 6
1.8799 7
1.8893 10
1.9022 11
1.8799 7
1.8893 10
1.9022 11
5 P 2.4 4
1.556 6
1.5569 7
1.5278 8
1.5283 9
6 O 3.432 13
2.5072 7
2.4953 8
2.5654 9
2.8774 12
3.2403 13
2.877 14
2.6427 6
2.7646 13
2.8149 14
3.267 10
2.7269 10
2.7878 10
2.7711 11
7 O 3.432 10
2.5072 6
2.4531 8
2.5383 9
2.6163 10
2.6579 11
2.7103 7
3.3999 9
3.1389 11
2.7196 11
3.1258 11
8 O 3.432 13
2.4953 6
2.4531 7
2.8058 9
2.5408 9
3.3561 12
3.3451 9
3.4253 13
3.2829 8
3.1599 12
3.348 13
3.0922 14
2.6454 13
2.7345 14
9 O 3.432 13
2.5654 6
2.5383 7
2.5408 8
2.8058 8
3.4165 12
3.1001 13
3.0175 14
3.3999 7
3.3451 8
3.2158 11
3.0466 13
2.8662 14
2.9987 10
10 OH 3.48 11
2.6163 7
2.3983 11
2.7526 10
2.8646 11
2.9103 11
2.7269 6
3.267 6
3.4475 7
2.9987 9
2.7878 6
2.8398 11
11 OH 3.48 11
2.6579 7
2.3983 10
3.1389 7
2.7196 7
3.2158 9
2.8646 10
2.9103 10
2.6219 11
2.7711 6
3.1258 7
2.8398 10
12 H(2)O,H(2)O 3.6 16
2.8774 6
3.3561 8
3.4165 9
1.242 13
1.9518 14
3.438 14
2.8774 6
3.3561 8
3.4165 9
1.242 13
3.438 14
1.9518 14
3.1599 8
3.1599 8
3.5351 10
3.5351 10
13 H(2)O,H(2)O 3.6 13
3.2403 6
3.1001 9
1.242 12
0.7243 14
2.7646 6
3.4253 8
2.9709 13
2.284 13
2.3144 14
3.0015 14
3.348 8
3.0466 9
2.6454 8
14 H(2)O,H(2)O 3.6 12
2.877 6
3.0175 9
3.438 12
1.9518 12
0.7243 13
2.8149 6
2.3144 13
3.0015 13
1.699 14
3.0922 8
2.8662 9
2.7345 8
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 2 0 4.143 8.286 0.047 380.2 2 62.8 284.9
2 1 2 0 6.322 12.643 0.071 162.0 4 73.0 327.7
3 0 4 0 8.308 16.616 0.094 92.85 2 69.0 84.1
4 0 1 1 8.786 17.573 0.099 82.78 4 21.6 14.6
5 2 0 0 9.566 19.132 0.108 69.49 2 1.7 0.0
6 1 4 0 9.595 19.19 0.108 69.07 4 24.7 16.1
7 1 1 1 10.014 20.028 0.113 63.23 8 33.9 55.4
8 2 2 0 10.44 20.881 0.118 58.0 4 189.2 789.0
9 0 3 1 10.589 21.179 0.119 56.32 4 154.1 508.0
10 1 3 1 11.635 23.271 0.131 46.28 8 68.7 166.2
11 0 6 0 12.517 25.035 0.141 39.71 2 0.0 0.0
12 2 4 0 12.722 25.444 0.143 38.38 4 82.0 98.0
13 2 1 1 13.045 26.091 0.147 36.4 8 47.0 61.0
14 1 6 0 13.422 26.844 0.151 34.27 4 91.4 108.7
15 0 5 1 13.519 27.038 0.152 33.75 4 78.3 78.7
16 2 3 1 14.346 28.691 0.161 29.75 8 111.7 281.9
17 1 5 1 14.365 28.73 0.161 29.67 8 118.5 316.5
18 3 2 0 15.043 30.085 0.168 26.88 4 89.1 81.0
19 2 6 0 15.85 31.7 0.177 24.02 4 28.3 7.3
20 2 5 1 16.668 33.336 0.186 21.55 8 185.5 563.4
21 3 4 0 16.746 33.492 0.187 21.33 4 87.7 62.4
22 0 8 0 16.797 33.594 0.188 21.19 2 146.5 86.5
23 3 1 1 16.999 33.998 0.19 20.64 8 84.5 112.1
24 0 7 1 17.049 34.099 0.19 20.51 4 54.5 23.2
25 0 0 2 17.267 34.535 0.193 19.95 2 62.4 14.8
26 1 8 0 17.499 34.998 0.195 19.38 4 19.1 2.7
27 1 7 1 17.743 35.486 0.198 18.8 8 21.2 6.4
28 0 2 2 17.788 35.576 0.198 18.7 4 34.1 8.3
29 1 0 2 17.953 35.907 0.2 18.32 4 184.8 237.7
30 3 3 1 18.041 36.082 0.201 18.13 8 73.0 73.4
31 1 2 2 18.457 36.914 0.206 17.24 8 30.1 11.9
32 0 4 2 19.277 38.554 0.214 15.67 4 46.9 13.1
33 3 6 0 19.289 38.577 0.214 15.64 4 70.7 29.7
34 4 0 0 19.413 38.826 0.216 15.42 2 77.7 17.7
35 2 8 0 19.473 38.946 0.216 15.32 4 60.2 21.1
36 2 7 1 19.695 39.391 0.219 14.94 8 133.3 201.6
37 4 2 0 19.885 39.77 0.221 14.62 4 85.4 40.5
38 2 0 2 19.888 39.777 0.221 14.62 4 83.3 38.5
39 1 4 2 19.903 39.806 0.221 14.59 8 35.7 14.1
40 3 5 1 19.983 39.966 0.222 14.46 8 123.6 168.0
41 2 2 2 20.351 40.703 0.226 13.89 8 69.4 50.9
42 0 9 1 20.939 41.879 0.232 13.03 4 36.4 6.6
43 0 10 0 21.176 42.351 0.234 12.71 2 66.8 10.8
44 4 4 0 21.249 42.498 0.235 12.61 4 15.7 1.2
45 4 1 1 21.456 42.913 0.237 12.34 8 61.9 36.0
46 1 9 1 21.525 43.051 0.238 12.25 8 85.0 67.3
47 0 6 2 21.564 43.128 0.239 12.2 4 84.1 32.8
48 2 4 2 21.691 43.382 0.24 12.04 8 33.5 10.3
49 1 10 0 21.756 43.513 0.241 11.96 4 10.0 0.5
50 1 6 2 22.136 44.273 0.245 11.5 8 91.6 73.3
51 4 3 1 22.321 44.642 0.247 11.29 8 30.1 7.8
52 3 8 0 22.436 44.871 0.248 11.16 4 58.7 14.6
53 3 7 1 22.634 45.268 0.25 10.94 8 68.2 38.7
54 3 0 2 22.807 45.613 0.252 10.75 4 18.8 1.4
55 2 9 1 23.212 46.423 0.256 10.33 8 86.2 58.3
56 3 2 2 23.222 46.444 0.256 10.32 8 125.7 124.0
57 4 6 0 23.378 46.756 0.258 10.17 4 41.9 6.8
58 2 10 0 23.43 46.859 0.258 10.12 4 135.4 70.5
59 2 6 2 23.789 47.577 0.262 9.77 8 36.4 9.8
60 4 5 1 23.976 47.952 0.264 9.6 8 19.3 2.7
61 3 4 2 24.436 48.872 0.269 9.2 8 55.4 21.5
62 0 8 2 24.473 48.947 0.269 9.16 4 120.9 50.9
63 5 2 0 24.942 49.884 0.274 8.78 4 150.5 75.6
64 1 8 2 24.994 49.988 0.274 8.74 8 102.5 69.7
65 0 11 1 25.098 50.195 0.275 8.65 4 13.1 0.6
66 1 11 1 25.609 51.218 0.281 8.26 8 52.6 17.4
67 0 12 0 25.688 51.376 0.281 8.21 2 21.3 0.7
68 3 9 1 25.832 51.664 0.283 8.1 8 44.3 12.1
69 3 10 0 26.033 52.066 0.285 7.96 4 88.3 23.6
70 5 4 0 26.096 52.192 0.286 7.92 4 39.0 4.6
71 4 8 0 26.132 52.263 0.286 7.89 4 130.2 50.8
72 1 12 0 26.191 52.382 0.286 7.85 4 105.2 33.0
73 5 1 1 26.274 52.547 0.287 7.8 8 58.4 20.2
74 4 7 1 26.309 52.618 0.288 7.77 8 140.4 116.4
75 3 6 2 26.366 52.732 0.288 7.73 8 36.8 7.9
76 4 0 2 26.463 52.927 0.289 7.67 4 212.8 132.0
77 2 8 2 26.51 53.021 0.29 7.64 8 48.2 13.5
78 0 1 3 26.533 53.066 0.29 7.62 4 35.9 3.7
79 4 2 2 26.836 53.673 0.293 7.43 8 70.3 27.9
80 5 3 1 27.02 54.039 0.295 7.31 8 36.2 7.3
81 1 1 3 27.025 54.049 0.295 7.31 8 37.9 8.0
82 2 11 1 27.101 54.202 0.296 7.26 8 95.8 50.7
83 0 3 3 27.274 54.548 0.297 7.16 4 12.8 0.4
84 2 12 0 27.661 55.322 0.301 6.93 4 39.1 4.0
85 1 3 3 27.757 55.514 0.302 6.88 8 126.5 83.7
86 0 10 2 27.875 55.75 0.303 6.81 4 10.6 0.3
87 4 4 2 27.935 55.87 0.304 6.78 8 14.8 1.1
88 5 6 0 27.944 55.887 0.304 6.78 4 140.0 50.4
89 1 10 2 28.351 56.701 0.308 6.56 8 98.7 48.6
90 2 1 3 28.465 56.93 0.309 6.5 8 30.1 4.5
91 5 5 1 28.471 56.943 0.309 6.49 8 70.6 24.6
92 0 5 3 28.717 57.434 0.312 6.37 4 89.9 19.5
93 3 8 2 28.913 57.827 0.314 6.27 8 69.1 22.8
94 2 3 3 29.173 58.346 0.316 6.15 8 7.4 0.3
95 1 5 3 29.184 58.368 0.317 6.14 8 137.5 88.3
96 4 9 1 29.213 58.425 0.317 6.13 8 51.4 12.3
97 4 10 0 29.398 58.796 0.319 6.04 4 38.8 3.5
98 3 11 1 29.472 58.943 0.319 6.01 8 93.0 39.5
99 0 13 1 29.504 59.009 0.32 5.99 4 121.4 33.6
100 4 6 2 29.705 59.41 0.322 5.9 8 33.2 5.0
101 2 10 2 29.749 59.498 0.322 5.88 8 60.1 16.1
102 6 0 0 29.905 59.81 0.324 5.81 2 64.1 4.5
103 1 13 1 29.964 59.927 0.324 5.79 8 81.2 29.0
104 3 12 0 30.003 60.005 0.325 5.77 4 124.4 34.0
105 6 2 0 30.25 60.5 0.327 5.67 4 27.7 1.7
106 0 14 0 30.379 60.758 0.328 5.61 2 3.8 0.0
107 5 8 0 30.404 60.807 0.329 5.6 4 49.1 5.1
108 2 5 3 30.558 61.117 0.33 5.54 8 63.1 16.8
109 5 7 1 30.564 61.129 0.33 5.54 8 127.4 68.3
110 5 0 2 30.705 61.409 0.331 5.48 4 19.1 0.8
111 3 1 3 30.768 61.535 0.332 5.46 8 25.8 2.8
112 0 7 3 30.8 61.599 0.332 5.44 4 118.2 28.9
113 1 14 0 30.83 61.661 0.333 5.43 4 83.2 14.3
114 5 2 2 31.044 62.088 0.335 5.35 8 60.6 14.9
115 1 7 3 31.248 62.495 0.337 5.27 8 82.1 27.0
116 6 4 0 31.27 62.541 0.337 5.27 4 70.0 9.8
117 2 13 1 31.317 62.634 0.337 5.25 8 75.3 22.6
118 6 1 1 31.429 62.857 0.338 5.21 8 7.5 0.2
119 3 3 3 31.444 62.888 0.339 5.2 8 55.5 12.2
120 0 12 2 31.693 63.386 0.341 5.11 4 57.0 6.3
121 3 10 2 31.995 63.99 0.344 5.01 8 54.3 11.2
122 5 4 2 32.05 64.1 0.344 4.99 8 27.3 2.8
123 4 8 2 32.081 64.163 0.345 4.98 8 46.6 8.2
124 6 3 1 32.097 64.194 0.345 4.97 8 37.1 5.2
125 1 12 2 32.134 64.267 0.345 4.96 8 50.4 9.6
126 2 14 0 32.163 64.325 0.346 4.95 4 9.0 0.2
127 2 7 3 32.57 65.14 0.349 4.82 8 94.7 32.8
128 4 11 1 32.607 65.214 0.35 4.81 8 37.8 5.2
129 3 5 3 32.772 65.545 0.351 4.75 8 117.9 50.2
130 6 6 0 32.931 65.863 0.353 4.71 4 43.4 3.4
131 4 12 0 33.109 66.218 0.355 4.65 4 14.0 0.3
132 5 9 1 33.232 66.464 0.356 4.62 8 63.5 14.1
133 5 10 0 33.404 66.809 0.357 4.57 4 100.7 17.6
134 6 5 1 33.412 66.823 0.357 4.56 8 100.4 34.9
135 2 12 2 33.437 66.874 0.358 4.56 8 19.2 1.3
136 0 9 3 33.457 66.913 0.358 4.55 4 53.6 5.0
137 3 13 1 33.503 67.007 0.358 4.54 8 45.1 7.0
138 5 6 2 33.69 67.381 0.36 4.48 8 87.2 25.9
139 4 1 3 33.835 67.669 0.361 4.44 8 33.2 3.7
140 1 9 3 33.885 67.771 0.362 4.43 8 83.0 23.2
141 0 15 1 34.18 68.361 0.365 4.35 4 67.4 7.5
142 3 14 0 34.32 68.641 0.366 4.31 4 18.3 0.5
143 4 3 3 34.478 68.957 0.367 4.27 8 40.3 5.3
144 1 15 1 34.605 69.209 0.369 4.24 8 44.1 6.3
145 3 7 3 34.715 69.43 0.37 4.21 8 24.5 1.9
146 4 10 2 35.005 70.009 0.372 4.14 8 28.8 2.6
147 2 9 3 35.156 70.313 0.374 4.11 8 20.5 1.3
148 6 8 0 35.188 70.376 0.374 4.1 4 49.8 3.9
149 0 16 0 35.307 70.615 0.375 4.07 2 148.4 17.1
150 6 7 1 35.337 70.674 0.375 4.07 8 69.6 14.9
151 6 0 2 35.467 70.934 0.377 4.04 4 54.1 4.5
152 3 12 2 35.557 71.113 0.377 4.02 8 95.5 27.8
153 1 16 0 35.726 71.451 0.379 3.98 4 76.1 8.8
154 4 5 3 35.75 71.499 0.379 3.97 8 46.7 6.6
155 6 2 2 35.783 71.566 0.38 3.97 8 121.2 44.3
156 2 15 1 35.864 71.728 0.38 3.95 8 10.6 0.3
157 7 2 0 35.883 71.765 0.38 3.94 4 41.0 2.5
158 0 14 2 35.902 71.803 0.381 3.94 4 4.2 0.0
159 5 8 2 35.924 71.848 0.381 3.94 8 54.0 8.7
160 1 14 2 36.317 72.634 0.384 3.85 8 15.9 0.7
161 0 0 4 36.418 72.835 0.385 3.83 2 42.3 1.3
162 5 11 1 36.423 72.846 0.385 3.83 8 13.7 0.5
163 4 13 1 36.452 72.905 0.386 3.83 8 72.0 15.1
164 0 11 3 36.639 73.278 0.387 3.79 4 7.2 0.1
165 6 4 2 36.724 73.447 0.388 3.77 8 19.8 1.1
166 0 2 4 36.73 73.46 0.388 3.77 4 31.9 1.5
167 7 4 0 36.822 73.645 0.389 3.75 4 17.1 0.4
168 1 0 4 36.831 73.661 0.389 3.75 4 78.7 8.8
169 5 12 0 36.9 73.801 0.39 3.74 4 31.8 1.4
170 7 1 1 36.969 73.937 0.39 3.73 8 58.4 9.7
171 2 16 0 36.969 73.938 0.39 3.73 4 28.5 1.1
172 1 11 3 37.051 74.102 0.391 3.71 8 64.9 11.9
173 1 2 4 37.142 74.284 0.392 3.69 8 78.9 17.5
174 3 9 3 37.232 74.464 0.393 3.68 8 30.9 2.7
175 4 14 0 37.241 74.481 0.393 3.68 4 20.6 0.6
176 2 14 2 37.553 75.105 0.396 3.62 8 43.7 5.2
177 7 3 1 37.589 75.179 0.396 3.61 8 87.5 21.0
178 5 1 3 37.593 75.187 0.396 3.61 8 26.1 1.9
179 4 7 3 37.623 75.245 0.396 3.61 8 53.7 7.9
180 0 4 4 37.662 75.323 0.397 3.6 4 0.6 0.0
181 6 9 1 37.837 75.675 0.398 3.57 8 87.6 20.8
182 3 15 1 37.924 75.849 0.399 3.56 8 21.8 1.3
183 6 10 0 38.001 76.001 0.4 3.54 4 59.2 4.7
184 2 0 4 38.06 76.12 0.4 3.53 4 100.5 13.6
185 1 4 4 38.07 76.139 0.4 3.53 8 63.5 10.8
186 5 3 3 38.21 76.421 0.402 3.51 8 35.3 3.3
187 6 6 2 38.272 76.544 0.402 3.5 8 57.9 8.9
188 2 11 3 38.278 76.556 0.402 3.5 8 49.4 6.5
189 2 2 4 38.368 76.735 0.403 3.48 8 59.7 9.5
190 7 6 0 38.369 76.738 0.403 3.48 4 36.0 1.7
191 4 12 2 38.439 76.877 0.404 3.47 8 30.1 2.4
192 5 10 2 38.716 77.433 0.406 3.43 8 108.2 30.6
193 7 5 1 38.82 77.64 0.407 3.42 8 104.4 28.3
194 3 16 0 39.008 78.016 0.409 3.39 4 50.7 3.3
195 0 17 1 39.181 78.361 0.41 3.36 4 68.8 6.0
196 0 6 4 39.197 78.394 0.41 3.36 4 55.7 4.0
197 2 4 4 39.286 78.572 0.411 3.35 8 14.3 0.5
198 5 5 3 39.435 78.87 0.412 3.33 8 70.5 12.6
199 3 14 2 39.582 79.164 0.414 3.31 8 75.2 14.2
200 1 17 1 39.584 79.168 0.414 3.31 8 76.4 14.7
201 1 6 4 39.6 79.201 0.414 3.31 8 58.2 8.5
202 4 9 3 40.072 80.144 0.418 3.25 8 10.2 0.3
203 3 0 4 40.082 80.163 0.418 3.24 4 116.4 16.7
204 5 13 1 40.115 80.231 0.418 3.24 8 53.7 7.1
205 3 11 3 40.296 80.593 0.42 3.22 8 37.3 3.4
206 0 13 3 40.325 80.65 0.42 3.21 4 11.5 0.2
207 3 2 4 40.385 80.77 0.421 3.21 8 5.4 0.1
208 6 8 2 40.407 80.815 0.421 3.21 8 23.9 1.4
209 7 8 0 40.503 81.006 0.422 3.19 4 46.1 2.6
210 0 16 2 40.521 81.043 0.422 3.19 4 67.1 5.5
211 0 18 0 40.557 81.115 0.422 3.19 2 19.3 0.2
212 7 7 1 40.645 81.291 0.423 3.18 8 42.4 4.3
213 1 13 3 40.725 81.451 0.424 3.17 8 108.9 28.6
214 4 15 1 40.75 81.5 0.424 3.17 8 70.7 12.0
215 7 0 2 40.77 81.539 0.424 3.16 4 101.1 12.3
216 2 17 1 40.788 81.575 0.424 3.16 8 20.6 1.0
217 2 6 4 40.804 81.608 0.424 3.16 8 37.3 3.3
218 5 14 0 40.881 81.763 0.425 3.15 4 42.8 2.2
219 6 11 1 40.888 81.776 0.425 3.15 8 64.2 9.9
220 1 16 2 40.921 81.843 0.425 3.15 8 85.7 17.6
221 1 18 0 40.957 81.915 0.425 3.14 4 63.2 4.8
222 7 2 2 41.072 82.143 0.426 3.13 8 17.4 0.7
223 5 7 3 41.254 82.507 0.428 3.11 8 44.7 4.7
224 3 4 4 41.292 82.583 0.428 3.11 8 31.1 2.3
225 0 8 4 41.32 82.64 0.429 3.1 4 27.9 0.9
226 6 12 0 41.35 82.699 0.429 3.1 4 23.2 0.6
227 8 0 0 41.663 83.326 0.431 3.07 2 132.7 10.3
228 1 8 4 41.719 83.437 0.432 3.06 8 71.2 11.8
229 4 16 0 41.814 83.629 0.433 3.06 4 38.3 1.7
230 2 13 3 41.922 83.844 0.434 3.05 8 49.8 5.7
231 8 2 0 41.964 83.928 0.434 3.04 4 58.5 4.0
232 7 4 2 41.976 83.951 0.434 3.04 8 25.1 1.5
233 6 1 3 42.022 84.044 0.435 3.04 8 49.3 5.6
234 5 12 2 42.051 84.102 0.435 3.03 8 66.7 10.3
235 2 16 2 42.117 84.234 0.435 3.03 8 69.1 11.0
236 2 18 0 42.153 84.306 0.436 3.02 4 141.8 23.1
237 4 14 2 42.38 84.76 0.438 3.0 8 52.7 6.3
238 6 3 3 42.623 85.245 0.44 2.98 8 63.9 9.3
239 3 17 1 42.779 85.557 0.441 2.97 8 29.4 2.0
240 3 6 4 42.795 85.59 0.441 2.97 8 36.6 3.0
241 8 4 0 42.865 85.73 0.442 2.96 4 37.9 1.6
242 4 0 4 42.873 85.746 0.442 2.96 4 93.5 9.9
243 2 8 4 42.911 85.821 0.442 2.96 8 58.4 7.7
244 8 1 1 43.006 86.012 0.443 2.95 8 38.3 3.3
245 7 9 1 43.053 86.106 0.443 2.95 8 17.8 0.7
246 4 11 3 43.085 86.171 0.443 2.95 8 77.1 13.3
247 6 10 2 43.117 86.234 0.444 2.95 8 82.6 15.3
248 4 2 4 43.173 86.346 0.444 2.94 8 102.5 23.5
249 7 10 0 43.212 86.424 0.444 2.94 4 40.1 1.8
250 7 6 2 43.476 86.951 0.447 2.92 8 27.7 1.7
251 8 3 1 43.605 87.21 0.448 2.91 8 36.1 2.9
252 5 9 3 43.656 87.312 0.448 2.91 8 32.2 2.3
253 6 5 3 43.821 87.642 0.449 2.9 8 45.4 4.5
254 3 13 3 43.906 87.812 0.45 2.89 8 96.8 20.6
255 0 10 4 44.021 88.043 0.451 2.88 4 36.4 1.4
256 4 4 4 44.071 88.142 0.451 2.88 8 43.7 4.2
257 3 16 2 44.1 88.2 0.452 2.88 8 27.5 1.7
258 3 18 0 44.135 88.271 0.452 2.88 4 12.7 0.2
259 5 15 1 44.326 88.651 0.454 2.86 8 66.6 9.7
260 8 6 0 44.362 88.724 0.454 2.86 4 79.7 6.9
261 1 10 4 44.417 88.834 0.454 2.86 8 80.5 14.1
262 6 13 1 44.491 88.981 0.455 2.86 8 30.0 2.0
263 0 15 3 44.532 89.065 0.455 2.85 4 12.4 0.2
264 0 19 1 44.603 89.207 0.456 2.85 4 40.5 1.8
265 8 5 1 44.802 89.604 0.457 2.84 8 51.6 5.7
266 3 8 4 44.891 89.781 0.458 2.83 8 64.7 9.0
267 1 15 3 44.928 89.856 0.458 2.83 8 51.0 5.6
268 1 19 1 44.999 89.998 0.459 2.83 8 59.5 7.6
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 2 0 4.143 8.286 10.662 284.9 36.1 36.4 5.6
2 1 2 0 6.322 12.643 6.99562 327.7 41.5 41.7 5.6
3 0 4 0 8.308 16.616 5.331 84.1 10.7 10.7 5.6
4 0 1 1 8.786 17.573 5.04279 14.6 1.9 1.9 5.6
5 1 4 0 9.595 19.19 4.62132 16.1 2.0 2.0 5.6
6 1 1 1 10.014 20.028 4.42977 55.4 7.0 7.0 5.6
7 2 2 0 10.44 20.881 4.25071 789.0 100.0 100.0 5.6
8 0 3 1 10.589 21.179 4.19157 508.0 64.4 64.4 5.6
9 1 3 1 11.635 23.271 3.81928 166.2 21.1 21.0 5.6
10 2 4 0 12.722 25.444 3.49781 98.0 12.4 12.4 5.6
11 2 1 1 13.045 26.091 3.41251 61.0 7.7 7.7 5.6
12 1 6 0 13.422 26.844 3.31847 108.7 13.8 13.7 5.6
13 0 5 1 13.519 27.038 3.29503 78.7 10.0 9.9 5.6
14 1 5 1 14.365 28.73 3.10473 598.4 75.9 75.4 5.6
15 3 2 0 15.043 30.085 2.96787 81.0 10.3 10.2 5.6
16 2 5 1 16.668 33.336 2.68557 563.4 71.4 70.7 5.7
17 3 4 0 16.746 33.492 2.67338 62.4 7.9 7.8 5.7
18 0 8 0 16.797 33.594 2.6655 86.5 11.0 10.8 5.7
19 3 1 1 16.999 33.998 2.63471 112.1 14.2 14.1 5.7
20 0 7 1 17.049 34.099 2.62717 23.2 2.9 2.9 5.7
21 0 0 2 17.267 34.535 2.595 14.8 1.9 1.9 5.7
22 0 2 2 17.788 35.576 2.52139 8.3 1.0 1.0 5.7
23 1 0 2 17.953 35.907 2.49893 237.7 30.1 29.8 5.7
24 3 3 1 18.041 36.082 2.4872 73.4 9.3 9.2 5.7
25 1 2 2 18.457 36.914 2.433 11.9 1.5 1.5 5.7
26 3 6 0 19.289 38.577 2.33187 42.9 5.4 5.4 5.7
27 4 0 0 19.413 38.826 2.3175 17.7 2.2 2.2 5.7
28 2 8 0 19.473 38.946 2.31066 21.1 2.7 2.6 5.7
29 2 7 1 19.695 39.391 2.28555 201.6 25.6 25.2 5.7
30 4 2 0 19.885 39.77 2.26462 93.2 11.8 11.6 5.7
31 3 5 1 19.983 39.966 2.25396 168.0 21.3 20.9 5.7
32 2 2 2 20.351 40.703 2.21488 50.9 6.5 6.3 5.7
33 0 10 0 21.176 42.351 2.1324 10.8 1.4 1.3 5.7
34 4 1 1 21.456 42.913 2.10577 36.0 4.6 4.5 5.7
35 1 9 1 21.525 43.051 2.09936 67.3 8.5 8.4 5.7
36 0 6 2 21.564 43.128 2.09578 32.8 4.2 4.1 5.7
37 2 4 2 21.691 43.382 2.08408 10.3 1.3 1.3 5.7
38 1 6 2 22.136 44.273 2.04419 73.3 9.3 9.1 5.7
39 3 8 0 22.436 44.871 2.01832 14.6 1.9 1.8 5.7
40 3 7 1 22.634 45.268 2.00153 38.7 4.9 4.8 5.7
41 3 2 2 23.222 46.444 1.95355 182.3 23.1 22.6 5.7
42 2 10 0 23.43 46.859 1.93722 70.5 8.9 8.7 5.7
43 2 6 2 23.789 47.577 1.90964 9.8 1.2 1.2 5.7
44 3 4 2 24.436 48.872 1.86203 21.5 2.7 2.6 5.7
45 0 8 2 24.473 48.947 1.85937 50.9 6.5 6.3 5.7
46 5 2 0 24.942 49.884 1.82659 75.6 9.6 9.3 5.7
47 1 8 2 24.994 49.988 1.82306 69.7 8.8 8.6 5.7
48 1 11 1 25.609 51.218 1.78213 17.4 2.2 2.1 5.8
49 3 9 1 25.832 51.664 1.76779 12.1 1.5 1.5 5.8
50 3 10 0 26.033 52.066 1.75506 23.6 3.0 2.9 5.8
51 4 8 0 26.132 52.263 1.7489 50.8 6.4 6.3 5.8
52 1 12 0 26.191 52.382 1.74522 33.0 4.2 4.1 5.8
53 5 1 1 26.274 52.547 1.74012 20.2 2.6 2.5 5.8
54 4 7 1 26.309 52.618 1.73794 116.4 14.8 14.3 5.8
55 3 6 2 26.366 52.732 1.73447 7.9 1.0 1.0 5.8
56 4 0 2 26.463 52.927 1.72853 132.0 16.7 16.2 5.8
57 2 8 2 26.51 53.021 1.72569 17.2 2.2 2.1 5.8
58 4 2 2 26.836 53.673 1.70626 27.9 3.5 3.4 5.8
59 1 1 3 27.025 54.049 1.69526 15.2 1.9 1.9 5.8
60 2 11 1 27.101 54.202 1.69085 50.7 6.4 6.2 5.8
61 1 3 3 27.757 55.514 1.65396 83.7 10.6 10.3 5.8
62 5 6 0 27.944 55.887 1.64378 51.6 6.5 6.3 5.8
63 1 10 2 28.351 56.701 1.6221 48.6 6.2 5.9 5.8
64 5 5 1 28.471 56.943 1.61579 29.1 3.7 3.6 5.8
65 0 5 3 28.717 57.434 1.60312 19.5 2.5 2.4 5.8
66 3 8 2 28.913 57.827 1.59317 22.8 2.9 2.8 5.8
67 1 5 3 29.184 58.368 1.57968 100.6 12.8 12.3 5.8
68 3 11 1 29.472 58.943 1.56564 39.5 5.0 4.8 5.8
69 0 13 1 29.504 59.009 1.56405 33.6 4.3 4.1 5.8
70 2 10 2 29.749 59.498 1.55236 16.1 2.0 2.0 5.8
71 1 13 1 29.964 59.927 1.54225 29.0 3.7 3.5 5.8
72 3 12 0 30.003 60.005 1.54044 34.0 4.3 4.1 5.8
73 5 7 1 30.564 61.129 1.51479 85.1 10.8 10.3 5.8
74 0 7 3 30.8 61.599 1.50434 28.9 3.7 3.5 5.8
75 1 14 0 30.83 61.661 1.50299 14.3 1.8 1.7 5.8
76 5 2 2 31.044 62.088 1.49367 14.9 1.9 1.8 5.8
77 1 7 3 31.248 62.495 1.48491 36.9 4.7 4.5 5.8
78 2 13 1 31.317 62.634 1.48195 22.6 2.9 2.7 5.8
79 3 3 3 31.444 62.888 1.47659 12.2 1.5 1.5 5.9
80 3 10 2 31.995 63.99 1.45378 11.2 1.4 1.4 5.9
81 4 8 2 32.081 64.163 1.45028 13.4 1.7 1.6 5.9
82 1 12 2 32.134 64.267 1.44818 9.7 1.2 1.2 5.9
83 2 7 3 32.57 65.14 1.43086 32.8 4.2 4.0 5.9
84 3 5 3 32.772 65.545 1.42301 50.2 6.4 6.1 5.9
85 5 9 1 33.232 66.464 1.40555 14.1 1.8 1.7 5.9
86 6 5 1 33.412 66.823 1.39886 52.5 6.7 6.3 5.9
87 5 6 2 33.69 67.381 1.38863 25.9 3.3 3.1 5.9
88 1 9 3 33.885 67.771 1.38159 23.2 2.9 2.8 5.9
89 0 16 0 35.307 70.615 1.33275 17.1 2.2 2.0 5.9
90 6 7 1 35.337 70.674 1.33178 14.9 1.9 1.8 5.9
91 3 12 2 35.557 71.113 1.32463 27.8 3.5 3.3 5.9
92 1 16 0 35.726 71.451 1.31919 15.3 1.9 1.8 5.9
93 6 2 2 35.783 71.566 1.31736 44.3 5.6 5.3 5.9
94 5 8 2 35.924 71.848 1.31287 8.7 1.1 1.0 5.9
95 4 13 1 36.452 72.905 1.29643 15.1 1.9 1.8 6.0
96 1 0 4 36.831 73.661 1.28497 8.8 1.1 1.0 6.0
97 7 1 1 36.969 73.937 1.28086 10.8 1.4 1.3 6.0
98 1 11 3 37.051 74.102 1.27842 11.9 1.5 1.4 6.0
99 1 2 4 37.142 74.284 1.27574 17.5 2.2 2.1 6.0
100 7 3 1 37.589 75.179 1.26276 22.9 2.9 2.7 6.0
101 4 7 3 37.623 75.245 1.26181 7.9 1.0 0.9 6.0
102 6 9 1 37.837 75.675 1.25571 20.8 2.6 2.5 6.0
103 2 0 4 38.06 76.12 1.24947 24.4 3.1 2.9 6.0
104 6 6 2 38.272 76.544 1.2436 15.4 2.0 1.8 6.0
105 2 2 4 38.368 76.735 1.24097 11.2 1.4 1.3 6.0
106 5 10 2 38.716 77.433 1.23153 30.6 3.9 3.6 6.0
107 7 5 1 38.82 77.64 1.22876 28.3 3.6 3.3 6.0
108 0 17 1 39.181 78.361 1.21925 10.0 1.3 1.2 6.0
109 5 5 3 39.435 78.87 1.21265 12.6 1.6 1.5 6.0
110 1 17 1 39.584 79.168 1.20884 37.4 4.7 4.4 6.0
111 3 0 4 40.082 80.163 1.19631 16.7 2.1 2.0 6.0
112 0 16 2 40.521 81.043 1.18554 8.0 1.0 0.9 6.1
113 1 13 3 40.725 81.451 1.18063 40.6 5.1 4.8 6.1
114 7 0 2 40.77 81.539 1.17957 13.3 1.7 1.6 6.1
115 6 11 1 40.888 81.776 1.17675 12.1 1.5 1.4 6.1
116 1 16 2 40.921 81.843 1.17596 17.6 2.2 2.1 6.1
117 8 0 0 41.663 83.326 1.15875 10.3 1.3 1.2 6.1
118 1 8 4 41.719 83.437 1.15749 11.8 1.5 1.4 6.1
119 5 12 2 42.051 84.102 1.15003 15.9 2.0 1.8 6.1
120 2 16 2 42.117 84.234 1.14856 11.0 1.4 1.3 6.1
121 2 18 0 42.153 84.306 1.14777 23.1 2.9 2.7 6.1
122 6 3 3 42.623 85.245 1.1375 9.3 1.2 1.1 6.1
123 4 0 4 42.873 85.746 1.13214 11.5 1.5 1.3 6.1
124 4 11 3 43.085 86.171 1.12765 13.3 1.7 1.5 6.1
125 6 10 2 43.117 86.234 1.12698 15.3 1.9 1.8 6.1
126 4 2 4 43.173 86.346 1.12581 23.5 3.0 2.7 6.1
127 3 13 3 43.906 87.812 1.11075 20.6 2.6 2.4 6.2
128 5 15 1 44.326 88.651 1.10239 9.7 1.2 1.1 6.2
129 1 10 4 44.417 88.834 1.10059 14.1 1.8 1.6 6.2
130 3 8 4 44.891 89.781 1.09143 9.0 1.1 1.0 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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