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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BIOTITE
9, f-mica, sf-phlogopite
K(Mg,Fe,Ti)(3){[AlSi(3)]O(10)}(OH)(2)
Monoclinic C 2/m Z = 2
C2/m
16 .7 .1902
Ref.Str.:
Brigatti M.F., Frigieri P., Ghezzo C., Poppi L. (2000)
* Amer. Mineral., 85, 436-448
Reserv:
In pos.3 occupation of Al=0.35 is Ti=0.08+Al=0.27.
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.336 alpha = 90.0
b = 9.239 beta = 100.29
c = 10.2 gamma = 90.0
Unit cell volume (cub. angs.) = 494.77
Molar volume ( cub.cm/mol.) = 149.01
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0756 0.167 0.2257 0.0 Si = 0.66, Al = 0.34
2 0.0 0.0 0.5 0.0 Fe = 0.58, Mg = 0.4
3 0.0 0.3332 0.5 0.0 Fe = 0.43, Mg = 0.22, Al = 0.35
4 0.0 0.5 0.0 0.0 K = 0.95, Na = 0.05
5 0.0169 0.0 0.1704 0.0 O = 1.00
6 0.3256 0.2313 0.1685 0.0 O = 1.00
7 0.1368 0.1685 0.3978 0.0 O = 1.00
8 0.1268 0.5 0.3978 0.0 OH = 0.77, O = 0.23
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0756 0.167 0.2257
2 2 0.0 0.0 0.5
3 3 0.0 0.3332 0.5
4 4 0.0 0.5 0.0
5 5 0.0169 0.0 0.1704
6 6 0.3256 0.2313 0.1685
7 7 0.1368 0.1685 0.3978
8 8 0.1268 0.5 0.3978
9 1 0.9244 0.833 0.7743
10 3 0.0 0.6668 0.5
11 5 0.9831 0.0 0.8296
12 6 0.6744 0.7687 0.8315
13 7 0.8632 0.8315 0.6022
14 8 0.8732 0.5 0.6022
15 1 0.0756 0.833 0.2257
16 6 0.3256 0.7687 0.1685
17 7 0.1368 0.8315 0.3978
18 1 0.9244 0.167 0.7743
19 6 0.6744 0.2313 0.8315
20 7 0.8632 0.1685 0.6022
21 1 0.5756 0.333 0.2257
22 2 0.5 0.5 0.5
23 3 0.5 0.1668 0.5
24 4 0.5 0.0 0.0
25 5 0.5169 0.5 0.1704
26 6 0.8256 0.2687 0.1685
27 7 0.6368 0.3315 0.3978
28 8 0.6268 0.0 0.3978
29 1 0.4244 0.667 0.7743
30 3 0.5 0.8332 0.5
31 5 0.4831 0.5 0.8296
32 6 0.1744 0.7313 0.8315
33 7 0.3632 0.6685 0.6022
34 8 0.3732 0.0 0.6022
35 1 0.5756 0.667 0.2257
36 6 0.8256 0.7313 0.1685
37 7 0.6368 0.6685 0.3978
38 1 0.4244 0.333 0.7743
39 6 0.1744 0.2687 0.8315
40 7 0.3632 0.3315 0.6022
X-ray density (g/cm cub.) = 3.1
MU (1/cm) = 188.025 Mass attenuation coefficient (cm**2/g) = 60.598
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si ,Al 2.364 4
1.6536 5
1.6588 6
1.7268 7
1.6508 6
2 Fe ,Mg 2.64 6
2.0772 7
2.0772 7
2.0772 7
2.0772 7
2.0762 8
2.0762 8
3 Fe ,Mg ,Al 2.64 6
2.0511 7
2.0424 8
2.0424 8
2.0511 7
2.0301 7
2.0301 7
4 K ,Na 3.276 6
2.9859 5
2.993 6
2.9859 5
2.993 6
2.993 6
2.993 6
5 O 3.312 6
2.7003 6
2.7718 7
2.7003 6
2.7718 7
2.6829 6
2.6829 6
6 O 3.312 6
2.7003 5
2.7683 7
2.6829 5
2.6903 6
2.6903 6
2.7744 7
7 O 3.312 12
2.7718 5
2.7683 6
3.0632 8
3.1135 7
2.7506 7
2.7744 6
3.0637 7
3.0637 7
3.043 8
3.1352 8
2.7243 8
2.6785 7
8 OH ,O 3.36 11
3.0632 7
2.6806 8
3.0632 7
3.3581 6
3.1352 7
3.043 7
2.7243 7
3.3581 6
3.1352 7
3.043 7
2.7243 7
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 0 0 1 5.113 10.227 0.05 248.8 2 87.5 1557.5
2 0 0 2 10.268 20.536 0.1 60.03 2 22.8 25.6
3 0 2 0 11.165 22.329 0.108 50.45 2 39.6 64.7
4 1 1 0 11.3 22.601 0.11 49.19 4 35.4 100.6
5 1 1 -1 11.67 23.34 0.113 45.99 4 13.3 13.3
6 0 2 1 12.307 24.615 0.119 41.15 4 9.5 6.1
7 1 1 1 13.151 26.302 0.127 35.78 4 43.3 109.6
8 1 1 -2 14.097 28.194 0.136 30.88 4 65.3 215.4
9 0 2 2 15.259 30.518 0.147 26.07 4 85.6 312.0
10 0 0 3 15.508 31.016 0.149 25.18 2 150.8 468.1
11 1 1 2 16.537 33.075 0.159 21.92 4 85.6 262.3
12 1 1 -3 17.816 35.632 0.171 18.63 4 85.6 223.0
13 0 2 3 19.276 38.553 0.185 15.67 4 64.5 106.3
14 2 0 -1 19.66 39.321 0.188 15.0 2 26.4 8.6
15 1 3 0 19.677 39.354 0.188 14.97 4 25.9 16.5
16 1 3 -1 19.904 39.807 0.19 14.59 4 148.9 528.8
17 2 0 0 19.922 39.843 0.19 14.56 2 147.4 258.6
18 1 1 3 20.805 41.611 0.199 13.22 4 49.8 53.6
19 2 0 -2 20.806 41.613 0.199 13.22 2 3.5 0.1
20 1 3 1 20.856 41.712 0.199 13.15 4 2.3 0.1
21 0 0 4 20.886 41.771 0.199 13.11 2 87.8 82.5
22 1 3 -2 21.498 42.997 0.205 12.28 4 121.1 294.4
23 2 0 1 21.548 43.096 0.205 12.22 2 120.5 145.0
24 1 1 -4 22.284 44.568 0.212 11.33 4 19.4 7.0
25 0 4 0 22.784 45.567 0.216 10.78 2 53.7 25.4
26 2 2 -1 22.841 45.683 0.217 10.72 4 42.8 32.1
27 2 2 0 23.073 46.147 0.219 10.47 4 54.4 50.6
28 2 0 -3 23.188 46.377 0.22 10.36 2 67.5 38.5
29 1 3 2 23.264 46.529 0.221 10.28 4 66.1 73.4
30 0 4 1 23.414 46.829 0.222 10.13 4 44.4 32.7
31 2 2 -2 23.863 47.727 0.226 9.7 4 49.2 38.4
32 0 2 4 23.934 47.869 0.227 9.64 4 8.5 1.1
33 1 3 -3 24.243 48.486 0.23 9.36 4 132.1 267.2
34 2 0 2 24.317 48.635 0.23 9.3 2 131.7 131.7
35 2 2 1 24.531 49.063 0.232 9.11 4 35.6 18.9
36 0 4 2 25.234 50.467 0.238 8.55 4 32.0 14.3
37 1 1 4 25.636 51.272 0.242 8.24 4 12.6 2.1
38 2 2 -3 26.027 52.053 0.245 7.97 4 14.7 2.8
39 0 0 5 26.464 52.927 0.249 7.67 2 84.4 44.6
40 2 0 -4 26.551 53.101 0.25 7.61 2 103.9 67.1
41 1 3 3 26.647 53.294 0.251 7.55 4 102.2 128.7
42 2 2 2 27.068 54.135 0.254 7.29 4 4.2 0.2
43 1 1 -5 27.265 54.53 0.256 7.17 4 10.4 1.3
44 1 3 -4 27.887 55.775 0.261 6.81 4 72.8 59.0
45 2 0 3 27.982 55.963 0.262 6.76 2 71.8 28.4
46 0 4 3 28.073 56.145 0.263 6.71 4 15.0 2.5
47 0 2 5 29.07 58.14 0.272 6.2 4 12.0 1.5
48 2 2 -4 29.152 58.303 0.272 6.16 4 22.0 4.9
49 2 2 3 30.502 61.005 0.284 5.56 4 29.6 8.0
50 2 0 -5 30.686 61.372 0.285 5.49 2 24.7 2.7
51 1 3 4 30.799 61.598 0.286 5.45 4 23.3 4.8
52 3 1 -1 30.805 61.61 0.286 5.44 4 22.1 4.3
53 2 4 -1 30.863 61.727 0.287 5.42 4 29.0 7.5
54 1 5 0 30.875 61.751 0.287 5.42 4 18.5 3.0
55 1 1 5 30.925 61.85 0.287 5.4 4 2.6 0.1
56 1 5 -1 31.039 62.078 0.288 5.35 4 16.5 2.4
57 2 4 0 31.052 62.104 0.288 5.35 4 6.5 0.4
58 3 1 -2 31.295 62.59 0.29 5.26 4 19.1 3.1
59 3 1 0 31.345 62.69 0.291 5.24 4 3.3 0.1
60 2 4 -2 31.701 63.403 0.294 5.11 4 15.8 2.1
61 1 5 1 31.738 63.476 0.294 5.1 4 47.9 19.1
62 0 4 4 31.76 63.52 0.294 5.09 4 24.0 4.8
63 1 5 -2 32.22 64.44 0.298 4.93 4 34.1 9.4
64 1 3 -5 32.256 64.512 0.298 4.92 4 165.7 220.8
65 2 4 1 32.257 64.515 0.298 4.92 4 56.9 26.1
66 0 0 6 32.327 64.654 0.299 4.9 2 65.6 17.2
67 2 0 4 32.367 64.734 0.299 4.88 2 167.1 111.4
68 1 1 -6 32.697 65.394 0.302 4.78 4 9.3 0.7
69 3 1 -3 32.789 65.577 0.303 4.75 4 76.7 45.7
70 3 1 1 32.886 65.772 0.304 4.72 4 46.3 16.5
71 2 2 -5 33.081 66.163 0.305 4.66 4 15.4 1.8
72 2 4 -3 33.523 67.047 0.309 4.53 4 53.5 21.2
73 1 5 2 33.583 67.166 0.309 4.51 4 68.5 34.7
74 1 5 -3 34.362 68.723 0.316 4.3 4 55.1 21.4
75 2 4 2 34.422 68.843 0.316 4.29 4 66.6 31.0
76 0 2 6 34.662 69.323 0.318 4.23 4 28.0 5.4
77 2 2 4 34.7 69.401 0.318 4.22 4 1.1 0.0
78 3 1 -4 35.22 70.439 0.322 4.09 4 41.4 11.5
79 3 1 2 35.361 70.722 0.324 4.06 4 47.9 15.2
80 2 0 -6 35.485 70.97 0.324 4.03 2 136.1 61.1
81 3 3 -1 35.502 71.004 0.325 4.03 4 189.6 236.7
82 0 6 0 35.513 71.025 0.325 4.03 2 189.1 117.6
83 1 3 5 35.613 71.227 0.326 4.0 4 134.0 117.5
84 3 3 -2 35.959 71.918 0.328 3.93 4 76.2 37.3
85 0 6 1 35.992 71.985 0.329 3.92 4 78.2 39.2
86 3 3 0 36.005 72.011 0.329 3.92 4 78.9 39.9
87 0 4 5 36.184 72.368 0.33 3.88 4 21.6 2.9
88 2 4 -4 36.257 72.514 0.331 3.87 4 37.2 8.7
89 1 5 3 36.338 72.676 0.331 3.85 4 29.6 5.5
90 1 1 6 36.685 73.37 0.334 3.78 4 33.1 6.8
91 1 3 -6 37.275 74.549 0.339 3.67 4 77.5 36.0
92 3 3 -3 37.361 74.722 0.339 3.65 4 43.9 11.5
93 1 5 -4 37.39 74.781 0.339 3.65 4 21.2 2.7
94 2 0 5 37.402 74.803 0.34 3.65 2 78.0 18.1
95 0 6 2 37.417 74.835 0.34 3.64 4 43.9 11.5
96 3 3 1 37.453 74.906 0.34 3.64 4 44.3 11.6
97 2 4 3 37.471 74.942 0.34 3.63 4 3.2 0.1
98 2 2 -6 37.729 75.458 0.342 3.59 4 43.0 10.9
99 3 1 -5 38.517 77.034 0.348 3.46 4 8.6 0.4
100 0 0 7 38.6 77.2 0.349 3.45 2 73.3 15.1
101 1 1 -7 38.625 77.25 0.349 3.45 4 43.9 10.8
102 3 1 3 38.699 77.398 0.35 3.43 4 11.1 0.7
103 2 2 5 39.607 79.213 0.356 3.31 4 61.7 20.6
104 3 3 -4 39.674 79.348 0.357 3.3 4 51.3 14.2
105 0 6 3 39.752 79.504 0.357 3.29 4 50.5 13.7
106 3 3 2 39.809 79.619 0.358 3.28 4 51.1 14.0
107 2 4 -5 39.839 79.677 0.358 3.28 4 3.8 0.1
108 1 5 4 39.94 79.879 0.359 3.26 4 24.1 3.1
109 0 2 7 40.786 81.572 0.365 3.16 4 36.7 7.0
110 2 0 -7 40.94 81.88 0.366 3.14 2 156.6 63.0
111 1 3 6 41.085 82.171 0.367 3.13 4 155.0 122.9
112 1 5 -5 41.254 82.508 0.369 3.11 4 0.2 0.0
113 0 4 6 41.319 82.638 0.369 3.1 4 74.0 27.8
114 2 4 4 41.355 82.71 0.369 3.1 4 20.8 2.2
115 2 6 -1 42.166 84.332 0.375 3.02 4 62.4 19.3
116 4 0 -1 42.168 84.335 0.375 3.02 2 60.6 9.1
117 4 0 -2 42.29 84.581 0.376 3.01 2 136.0 45.5
118 2 6 0 42.333 84.666 0.376 3.01 4 134.7 89.3
119 3 1 -6 42.643 85.287 0.379 2.98 4 18.6 1.7
120 3 1 4 42.866 85.732 0.38 2.96 4 0.0 0.0
121 3 3 -5 42.866 85.733 0.38 2.96 4 97.2 45.8
122 2 6 -2 42.912 85.825 0.381 2.96 4 28.0 3.8
123 4 0 0 42.959 85.917 0.381 2.96 2 27.9 1.9
124 0 6 4 42.965 85.931 0.381 2.96 4 99.4 47.7
125 1 3 -7 42.972 85.944 0.381 2.96 4 0.2 0.0
126 1 1 7 43.027 86.055 0.381 2.95 4 35.8 6.2
127 3 3 3 43.044 86.089 0.382 2.95 4 99.4 47.6
128 2 2 -7 43.101 86.201 0.382 2.95 4 74.8 26.9
129 2 0 6 43.117 86.234 0.382 2.95 2 0.7 0.0
130 4 0 -3 43.326 86.652 0.384 2.93 2 108.8 28.4
131 2 6 1 43.413 86.826 0.384 2.92 4 108.3 56.1
132 2 4 -6 44.251 88.502 0.39 2.87 4 9.7 0.4
133 3 5 -1 44.267 88.535 0.39 2.87 4 24.7 2.9
134 4 2 -1 44.32 88.641 0.391 2.87 4 13.3 0.8
135 1 7 0 44.329 88.659 0.391 2.86 4 27.5 3.5
136 1 5 5 44.373 88.746 0.391 2.86 4 4.1 0.1
137 4 2 -2 44.442 88.885 0.391 2.86 4 25.7 3.1
138 1 7 -1 44.474 88.947 0.392 2.86 4 5.6 0.1
139 2 6 -3 44.568 89.137 0.392 2.85 4 89.5 37.4
140 4 0 1 44.659 89.317 0.393 2.85 2 88.6 18.3
141 3 5 -2 44.7 89.401 0.393 2.84 4 23.1 2.5
142 3 5 0 44.745 89.49 0.394 2.84 4 10.4 0.5
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 0 0 1 5.113 10.227 10.03595 1557.5 100.0 100.0 5.6
2 0 0 2 10.268 20.536 5.01797 25.6 1.6 1.6 5.6
3 0 2 0 11.165 22.329 4.6195 64.7 4.2 4.1 5.6
4 1 1 0 11.3 22.601 4.56464 100.6 6.5 6.4 5.6
5 1 1 1 13.151 26.302 3.93132 109.6 7.0 7.0 5.6
6 1 1 -2 14.097 28.194 3.67242 215.4 13.8 13.7 5.6
7 0 2 2 15.259 30.518 3.39863 312.0 20.0 19.8 5.6
8 0 0 3 15.508 31.016 3.34532 468.1 30.1 29.6 5.6
9 1 1 2 16.537 33.075 3.14241 262.3 16.8 16.6 5.6
10 1 1 -3 17.816 35.632 2.92341 223.0 14.3 14.1 5.7
11 0 2 3 19.276 38.553 2.70947 106.3 6.8 6.7 5.7
12 1 3 0 19.677 39.354 2.65639 25.0 1.6 1.6 5.7
13 1 3 -1 19.904 39.807 2.62736 787.4 50.6 49.4 5.7
14 1 1 3 20.805 41.611 2.51823 53.7 3.4 3.4 5.7
15 0 0 4 20.886 41.771 2.50899 82.5 5.3 5.2 5.7
16 1 3 -2 21.498 42.997 2.4407 294.4 18.9 18.4 5.7
17 2 0 1 21.548 43.096 2.43537 145.0 9.3 9.1 5.7
18 0 4 0 22.784 45.567 2.30975 25.4 1.6 1.6 5.7
19 2 2 -1 22.841 45.683 2.30422 32.1 2.1 2.0 5.7
20 2 2 0 23.073 46.147 2.28232 50.6 3.2 3.2 5.7
21 2 0 -3 23.188 46.377 2.27162 38.5 2.5 2.4 5.7
22 1 3 2 23.264 46.529 2.26461 73.4 4.7 4.6 5.7
23 0 4 1 23.414 46.829 2.25091 32.7 2.1 2.0 5.7
24 2 2 -2 23.863 47.727 2.21096 38.4 2.5 2.4 5.7
25 1 3 -3 24.243 48.486 2.17839 267.2 17.2 16.6 5.7
26 2 0 2 24.317 48.635 2.17212 131.7 8.5 8.2 5.7
27 2 2 1 24.531 49.063 2.15433 18.9 1.2 1.2 5.7
28 0 0 5 26.464 52.927 2.00719 44.6 2.9 2.8 5.8
29 2 0 -4 26.551 53.101 2.00109 67.1 4.3 4.1 5.8
30 1 3 3 26.647 53.294 1.99437 128.7 8.3 8.0 5.8
31 1 3 -4 27.887 55.775 1.91232 59.0 3.8 3.6 5.8
32 2 0 3 27.982 55.963 1.90639 28.4 1.8 1.8 5.8
33 1 5 1 31.738 63.476 1.70038 23.9 1.5 1.5 5.9
34 1 3 -5 32.256 64.512 1.67594 246.8 15.8 15.0 5.9
35 0 0 6 32.327 64.654 1.67266 17.2 1.1 1.0 5.9
36 2 0 4 32.367 64.734 1.67082 111.4 7.1 6.8 5.9
37 3 1 -3 32.789 65.577 1.65169 45.7 2.9 2.8 5.9
38 3 1 1 32.886 65.772 1.64735 16.5 1.1 1.0 5.9
39 2 4 -3 33.523 67.047 1.61959 21.2 1.4 1.3 5.9
40 1 5 2 33.583 67.166 1.61704 34.7 2.2 2.1 5.9
41 1 5 -3 34.362 68.723 1.58476 21.4 1.4 1.3 5.9
42 2 4 2 34.422 68.843 1.58234 31.0 2.0 1.9 5.9
43 0 6 0 35.513 71.025 1.53983 415.4 26.7 25.0 5.9
44 1 3 5 35.613 71.227 1.53605 117.5 7.5 7.1 5.9
45 3 3 -2 35.959 71.918 1.52326 37.3 2.4 2.2 5.9
46 3 3 0 36.005 72.011 1.52155 79.1 5.1 4.7 5.9
47 1 3 -6 37.275 74.549 1.4769 36.0 2.3 2.1 6.0
48 2 0 5 37.402 74.803 1.47261 29.6 1.9 1.8 6.0
49 0 0 7 38.6 77.2 1.43371 26.0 1.7 1.5 6.0
50 2 2 5 39.607 79.213 1.40305 20.6 1.3 1.2 6.0
51 2 0 -7 40.94 81.88 1.36502 63.0 4.0 3.7 6.1
52 1 3 6 41.085 82.171 1.36105 122.9 7.9 7.2 6.1
53 0 4 6 41.319 82.638 1.35473 27.8 1.8 1.6 6.1
54 2 6 -1 42.166 84.332 1.33247 28.3 1.8 1.7 6.1
55 4 0 -2 42.29 84.581 1.32929 45.5 2.9 2.7 6.1
56 2 6 0 42.333 84.666 1.32819 89.3 5.7 5.2 6.1
57 3 3 -5 42.866 85.733 1.31482 45.8 2.9 2.7 6.1
58 0 6 4 42.965 85.931 1.31238 49.6 3.2 2.9 6.1
59 3 3 3 43.044 86.089 1.31044 53.8 3.5 3.1 6.1
60 2 2 -7 43.101 86.201 1.30907 26.9 1.7 1.6 6.1
61 4 0 -3 43.326 86.652 1.3036 28.4 1.8 1.6 6.1
62 2 6 1 43.413 86.826 1.3015 56.1 3.6 3.3 6.1
63 2 6 -3 44.568 89.137 1.2746 37.4 2.4 2.2 6.2
64 4 0 1 44.659 89.317 1.27256 18.3 1.2 1.1 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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