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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PHLOGOPITE
34, f-mica, sf-phlogopite
K(Mg,Fe)(3)[(Al,Fe)Si(3)O(10)](OH,F)(2)
Monoclinic C 2/m Z = 2
R =0.028 NR =532
29 .11 .1902
Ref.Str.:
M.F.Brigatti, L. Medici, L. Poppi, C. Vaccaro (2001)
* Canad. Mineral., 39, 1333-1345
Reserv:
In original - mica[31].
There are U(ij) in the article. The samples from Alto Paranaiba
igneous province, southeastern Brazil. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.344 alpha = 90.0
b = 9.259 beta = 100.01
c = 10.28 gamma = 90.0
Unit cell volume (cub. angs.) = 500.91
Molar volume ( cub.cm/mol.) = 150.86
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0219 0.0 0.169 1.38 O = 1.00
2 0.3232 0.233 0.1695 1.4 O = 1.00
3 0.1306 0.1672 0.3905 0.62 O = 1.00
4 0.1318 0.5 0.3963 0.66 OH = 1.00
5 0.0758 0.1667 0.2273 0.67 Si = 0.75, Al = 0.23, Fe = 0.02
6 0.0 0.0 0.5 0.74 Mg = 0.57, Fe = 0.43
7 0.0 0.3331 0.5 0.75 Mg = 0.57, Fe = 0.43
8 0.0 0.5 0.0 2.7 K = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0219 0.0 0.169
2 2 0.3232 0.233 0.1695
3 3 0.1306 0.1672 0.3905
4 4 0.1318 0.5 0.3963
5 5 0.0758 0.1667 0.2273
6 6 0.0 0.0 0.5
7 7 0.0 0.3331 0.5
8 8 0.0 0.5 0.0
9 1 0.9781 0.0 0.831
10 2 0.6768 0.767 0.8305
11 3 0.8694 0.8328 0.6095
12 4 0.8682 0.5 0.6037
13 5 0.9242 0.8333 0.7727
14 7 0.0 0.6669 0.5
15 2 0.3232 0.767 0.1695
16 3 0.1306 0.8328 0.3905
17 5 0.0758 0.8333 0.2273
18 2 0.6768 0.233 0.8305
19 3 0.8694 0.1672 0.6095
20 5 0.9242 0.1667 0.7727
21 1 0.5219 0.5 0.169
22 2 0.8232 0.267 0.1695
23 3 0.6306 0.3328 0.3905
24 4 0.6318 0.0 0.3963
25 5 0.5758 0.3333 0.2273
26 6 0.5 0.5 0.5
27 7 0.5 0.1669 0.5
28 8 0.5 0.0 0.0
29 1 0.4781 0.5 0.831
30 2 0.1768 0.733 0.8305
31 3 0.3694 0.6672 0.6095
32 4 0.3682 0.0 0.6037
33 5 0.4242 0.6667 0.7727
34 7 0.5 0.8331 0.5
35 2 0.8232 0.733 0.1695
36 3 0.6306 0.6672 0.3905
37 5 0.5758 0.6667 0.2273
38 2 0.1768 0.267 0.8305
39 3 0.3694 0.3328 0.6095
40 5 0.4242 0.3333 0.7727
X-ray density (g/cm cub.) = 3.05
MU (1/cm) = 186.178 Mass attenuation coefficient (cm**2/g) = 61.031
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 O 3.312 6
2.6914 2
2.7311 3
2.6914 2
2.7311 3
2.6909 2
2.6909 2
2 O 3.312 6
2.6914 1
2.7212 3
2.6909 1
2.6905 2
2.6905 2
2.7233 3
3 O 3.312 12
2.7311 1
2.7212 2
3.082 4
3.0962 3
2.8477 3
2.7233 2
3.0807 3
3.0807 3
3.0852 4
3.0921 4
2.8009 4
2.8371 3
4 OH 3.36 9
3.082 3
2.7521 4
3.082 3
3.0921 3
3.0852 3
2.8009 3
3.0921 3
3.0852 3
2.8009 3
5 Si ,Al ,Fe 2.64 4
1.6627 1
1.6586 2
1.6522 3
1.661 2
6 Mg ,Fe 2.64 6
2.1033 3
2.1033 3
2.1033 3
2.1033 3
2.0686 4
2.0686 4
7 Mg ,Fe 2.64 6
2.0945 3
2.0692 4
2.0692 4
2.0945 3
2.0956 3
2.0956 3
8 K 3.276 6
3.0187 1
3.0258 2
3.0187 1
3.0258 2
3.0258 2
3.0258 2
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 5.069 10.138 0.049 253.22 2 80.7 1314.8
2 0 0 2 10.178 20.356 0.099 61.14 2 9.5 4.4
3 0 2 0 11.14 22.28 0.108 50.68 2 42.7 73.7
4 1 1 0 11.274 22.548 0.109 49.44 4 35.3 98.1
5 1 1 -1 11.654 23.308 0.113 46.13 4 16.4 19.7
6 0 2 1 12.266 24.532 0.119 41.44 4 11.8 9.2
7 1 1 1 13.084 26.168 0.127 36.17 4 41.4 99.1
8 1 1 -2 14.058 28.117 0.136 31.06 4 68.1 229.4
9 0 2 2 15.179 30.358 0.146 26.37 4 84.9 303.0
10 0 0 3 15.371 30.742 0.148 25.67 2 136.0 378.3
11 1 1 2 16.418 32.836 0.158 22.26 4 88.5 277.7
12 1 1 -3 17.738 35.475 0.17 18.81 4 79.9 191.4
13 0 2 3 19.148 38.296 0.183 15.9 4 61.5 95.9
14 1 3 0 19.632 39.264 0.188 15.04 4 32.3 25.0
15 2 0 -1 19.635 39.27 0.188 15.04 2 32.4 12.6
16 1 3 -1 19.865 39.73 0.19 14.66 4 141.0 464.6
17 2 0 0 19.872 39.745 0.19 14.64 2 140.6 230.8
18 1 1 3 20.63 41.261 0.197 13.47 4 39.6 33.7
19 0 0 4 20.697 41.393 0.198 13.37 2 80.4 69.0
20 2 0 -2 20.782 41.564 0.198 13.25 2 7.1 0.5
21 1 3 1 20.783 41.566 0.198 13.25 4 7.4 1.2
22 1 3 -2 21.445 42.889 0.204 12.35 4 124.0 302.7
23 2 0 1 21.456 42.912 0.204 12.34 2 123.7 150.4
24 1 1 -4 22.157 44.315 0.211 11.48 4 18.3 6.1
25 0 4 0 22.732 45.464 0.216 10.83 2 44.0 16.7
26 2 2 -1 22.806 45.612 0.217 10.75 4 43.1 31.8
27 2 2 0 23.017 46.033 0.219 10.53 4 44.2 32.8
28 2 0 -3 23.144 46.289 0.22 10.4 2 65.4 35.4
29 1 3 2 23.149 46.298 0.22 10.4 4 65.5 71.1
30 0 4 1 23.353 46.705 0.222 10.19 4 43.6 30.9
31 0 2 4 23.752 47.505 0.225 9.81 4 1.5 0.0
32 2 2 -2 23.829 47.658 0.226 9.74 4 42.7 28.3
33 1 3 -3 24.157 48.314 0.229 9.44 4 121.8 223.2
34 2 0 2 24.171 48.342 0.229 9.43 2 121.9 111.6
35 2 2 1 24.436 48.872 0.231 9.2 4 38.6 21.8
36 0 4 2 25.145 50.289 0.238 8.62 4 29.5 12.0
37 1 1 4 25.402 50.803 0.24 8.42 4 8.7 1.0
38 2 2 -3 25.974 51.949 0.245 8.0 4 15.7 3.2
39 0 0 5 26.217 52.434 0.247 7.83 2 79.0 38.9
40 2 0 -4 26.471 52.942 0.249 7.66 2 98.8 59.7
41 1 3 3 26.479 52.958 0.249 7.66 4 98.8 119.2
42 2 2 2 26.921 53.841 0.253 7.38 4 0.2 0.0
43 1 1 -5 27.083 54.166 0.255 7.28 4 12.4 1.8
44 1 3 -4 27.757 55.515 0.26 6.88 4 62.7 43.2
45 2 0 3 27.773 55.547 0.26 6.87 2 62.9 21.7
46 0 4 3 27.943 55.886 0.262 6.78 4 15.4 2.6
47 0 2 5 28.828 57.655 0.27 6.31 4 11.0 1.2
48 2 2 -4 29.066 58.132 0.272 6.2 4 26.4 6.9
49 2 2 3 30.294 60.589 0.282 5.65 4 30.0 8.1
50 2 0 -5 30.56 61.12 0.284 5.54 2 15.0 1.0
51 1 3 4 30.57 61.14 0.284 5.54 4 15.6 2.2
52 1 1 5 30.624 61.248 0.285 5.51 4 2.9 0.1
53 3 1 -1 30.753 61.506 0.286 5.46 4 27.1 6.4
54 1 5 0 30.801 61.601 0.286 5.44 4 18.9 3.1
55 2 4 -1 30.803 61.606 0.286 5.44 4 27.3 6.5
56 1 5 -1 30.969 61.938 0.288 5.38 4 19.2 3.2
57 2 4 0 30.974 61.949 0.288 5.38 4 2.6 0.1
58 3 1 -2 31.256 62.513 0.29 5.27 4 17.0 2.4
59 3 1 0 31.263 62.525 0.29 5.27 4 3.9 0.1
60 0 4 4 31.578 63.157 0.293 5.15 4 26.5 5.8
61 2 4 -2 31.642 63.284 0.293 5.13 4 14.5 1.7
62 1 5 1 31.643 63.285 0.293 5.13 4 38.1 11.9
63 0 0 6 32.014 64.028 0.296 5.0 2 56.1 12.5
64 1 3 -5 32.072 64.143 0.297 4.98 4 147.8 173.6
65 2 0 4 32.09 64.179 0.297 4.98 2 147.6 86.4
66 1 5 -2 32.138 64.276 0.297 4.96 4 32.7 8.5
67 2 4 1 32.147 64.293 0.297 4.96 4 54.4 23.4
68 1 1 -6 32.452 64.904 0.3 4.86 4 8.0 0.5
69 3 1 -3 32.746 65.493 0.302 4.76 4 64.7 31.7
70 3 1 1 32.759 65.517 0.302 4.76 4 44.6 15.1
71 2 2 -5 32.95 65.901 0.304 4.7 4 15.3 1.8
72 2 4 -3 33.448 66.897 0.308 4.55 4 50.5 18.5
73 1 5 2 33.452 66.904 0.308 4.55 4 63.8 29.6
74 1 5 -3 34.253 68.506 0.315 4.33 4 47.2 15.4
75 2 4 2 34.264 68.528 0.315 4.33 4 54.9 20.8
76 0 2 6 34.349 68.699 0.315 4.31 4 21.0 3.0
77 2 2 4 34.422 68.844 0.316 4.29 4 0.9 0.0
78 3 1 -4 35.158 70.316 0.322 4.11 4 37.6 9.3
79 3 1 2 35.175 70.351 0.322 4.1 4 38.9 9.9
80 2 0 -6 35.301 70.603 0.323 4.07 2 121.2 47.7
81 1 3 5 35.314 70.628 0.323 4.07 4 121.3 95.5
82 0 6 0 35.424 70.849 0.324 4.05 2 171.1 94.4
83 3 3 -1 35.434 70.868 0.324 4.04 4 171.1 188.6
84 0 6 1 35.896 71.793 0.328 3.94 4 72.7 33.2
85 3 3 -2 35.903 71.806 0.328 3.94 4 72.6 33.1
86 3 3 0 35.909 71.818 0.328 3.94 4 73.0 33.4
87 0 4 5 35.939 71.878 0.328 3.93 4 17.3 1.9
88 2 4 -4 36.152 72.303 0.33 3.89 4 26.6 4.4
89 1 5 3 36.158 72.316 0.33 3.89 4 18.6 2.1
90 1 1 6 36.306 72.612 0.331 3.86 4 31.6 6.1
91 1 3 -6 37.024 74.049 0.337 3.72 4 66.3 26.1
92 2 0 5 37.044 74.088 0.337 3.71 2 66.6 13.1
93 1 5 -4 37.24 74.481 0.338 3.68 4 14.9 1.3
94 2 4 3 37.254 74.508 0.338 3.67 4 0.1 0.0
95 0 6 2 37.298 74.597 0.339 3.67 4 30.3 5.4
96 3 3 -3 37.302 74.604 0.339 3.66 4 30.2 5.3
97 3 3 1 37.313 74.627 0.339 3.66 4 30.2 5.3
98 2 2 -6 37.54 75.081 0.341 3.62 4 34.5 6.9
99 0 0 7 38.205 76.411 0.346 3.51 2 78.2 17.1
100 1 1 -7 38.304 76.608 0.346 3.49 4 37.4 7.8
101 3 1 -5 38.421 76.842 0.347 3.48 4 12.8 0.9
102 3 1 3 38.444 76.887 0.348 3.47 4 4.2 0.1
103 2 2 5 39.246 78.492 0.354 3.35 4 49.8 13.3
104 0 6 3 39.595 79.19 0.356 3.31 4 42.3 9.4
105 3 3 -4 39.596 79.192 0.356 3.31 4 42.1 9.3
106 3 3 2 39.613 79.226 0.356 3.3 4 42.4 9.4
107 2 4 -5 39.689 79.377 0.357 3.29 4 2.6 0.0
108 1 5 4 39.698 79.395 0.357 3.29 4 20.0 2.1
109 0 2 7 40.388 80.776 0.362 3.21 4 36.4 6.8
110 2 0 -7 40.686 81.371 0.364 3.17 2 144.1 52.5
111 1 3 6 40.7 81.401 0.365 3.17 4 144.4 105.4
112 0 4 6 40.997 81.993 0.367 3.14 4 60.4 18.3
113 1 5 -5 41.049 82.098 0.367 3.13 4 4.8 0.1
114 2 4 4 41.065 82.13 0.367 3.13 4 21.4 2.3
115 2 6 -1 42.066 84.132 0.375 3.03 4 56.4 15.4
116 4 0 -1 42.08 84.16 0.375 3.03 2 56.3 7.6
117 2 6 0 42.218 84.436 0.376 3.02 4 116.0 64.7
118 4 0 -2 42.226 84.453 0.376 3.02 2 116.0 32.4
119 3 1 -6 42.498 84.996 0.378 2.99 4 16.7 1.3
120 3 1 4 42.526 85.052 0.378 2.99 4 2.7 0.0
121 1 1 7 42.55 85.099 0.378 2.99 4 27.7 3.7
122 1 3 -7 42.64 85.28 0.379 2.98 4 15.1 1.1
123 2 0 6 42.662 85.323 0.379 2.98 2 14.8 0.5
124 3 3 -5 42.754 85.508 0.379 2.97 4 82.6 32.3
125 0 6 4 42.756 85.512 0.379 2.97 4 82.4 32.2
126 3 3 3 42.776 85.552 0.38 2.97 4 82.7 32.4
127 2 6 -2 42.813 85.625 0.38 2.97 4 16.6 1.3
128 4 0 0 42.832 85.665 0.38 2.97 2 16.9 0.7
129 2 2 -7 42.839 85.677 0.38 2.97 4 64.3 19.6
130 2 6 1 43.267 86.533 0.383 2.93 4 102.8 49.4
131 4 0 -3 43.27 86.539 0.383 2.93 2 103.3 24.9
132 2 4 -6 44.041 88.081 0.389 2.88 4 2.4 0.0
133 1 5 5 44.052 88.105 0.389 2.88 4 7.4 0.3
134 3 5 -1 44.166 88.332 0.389 2.87 4 26.1 3.1
135 1 7 0 44.208 88.416 0.39 2.87 4 27.4 3.4
136 4 2 -1 44.224 88.448 0.39 2.87 4 16.6 1.3
137 1 7 -1 44.356 88.712 0.391 2.86 4 1.5 0.0
138 4 2 -2 44.369 88.739 0.391 2.86 4 22.4 2.3
139 2 6 -3 44.453 88.906 0.391 2.86 4 82.5 31.0
140 4 0 1 44.478 88.956 0.392 2.86 2 82.0 15.3
141 3 5 -2 44.611 89.221 0.393 2.85 4 16.7 1.3
142 3 5 0 44.616 89.232 0.393 2.85 4 10.3 0.5
143 1 1 -8 44.775 89.55 0.394 2.84 4 15.6 1.1
144 2 2 6 44.803 89.606 0.394 2.84 4 59.3 15.9
145 1 7 1 44.954 89.909 0.395 2.83 4 3.7 0.1
146 4 2 0 44.973 89.946 0.395 2.83 4 34.3 5.3
147 0 0 8 44.978 89.956 0.395 2.83 2 88.0 17.5
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 5.069 10.138 10.12351 1314.8 100.0 100.0 5.6
2 0 2 0 11.14 22.28 4.6295 73.7 5.6 5.6 5.6
3 1 1 0 11.274 22.548 4.57525 98.1 7.5 7.4 5.6
4 1 1 -1 11.654 23.308 4.42791 19.7 1.5 1.5 5.6
5 1 1 1 13.084 26.168 3.95117 99.1 7.5 7.5 5.6
6 1 1 -2 14.058 28.117 3.68227 229.4 17.4 17.2 5.6
7 0 2 2 15.179 30.358 3.41616 303.0 23.0 22.7 5.6
8 0 0 3 15.371 30.742 3.3745 378.3 28.8 28.4 5.6
9 1 1 2 16.418 32.836 3.16462 277.7 21.1 20.8 5.6
10 1 1 -3 17.738 35.475 2.93593 191.4 14.6 14.3 5.7
11 0 2 3 19.148 38.296 2.72695 95.9 7.3 7.1 5.7
12 1 3 0 19.632 39.264 2.66228 37.6 2.9 2.8 5.7
13 1 3 -1 19.865 39.73 2.6323 695.4 52.9 51.7 5.7
14 1 1 3 20.63 41.261 2.53866 33.7 2.6 2.5 5.7
15 0 0 4 20.697 41.393 2.53088 69.0 5.2 5.1 5.7
16 1 3 -2 21.445 42.889 2.44654 453.1 34.5 33.6 5.7
17 0 4 0 22.732 45.464 2.31475 16.7 1.3 1.2 5.7
18 2 2 -1 22.806 45.612 2.3076 31.8 2.4 2.4 5.7
19 2 2 0 23.017 46.033 2.28763 32.8 2.5 2.4 5.7
20 1 3 2 23.149 46.298 2.27526 106.6 8.1 7.9 5.7
21 0 4 1 23.353 46.705 2.25651 30.9 2.3 2.3 5.7
22 2 2 -2 23.829 47.658 2.21395 28.3 2.2 2.1 5.7
23 1 3 -3 24.157 48.314 2.18567 334.8 25.5 24.7 5.7
24 2 2 1 24.436 48.872 2.16222 21.8 1.7 1.6 5.7
25 0 0 5 26.217 52.434 2.0247 38.9 3.0 2.9 5.8
26 1 3 3 26.479 52.958 2.0061 178.9 13.6 13.1 5.8
27 1 3 -4 27.757 55.515 1.92057 64.8 4.9 4.7 5.8
28 1 5 1 31.643 63.285 1.70497 13.6 1.0 1.0 5.9
29 1 3 -5 32.072 64.143 1.68454 260.0 19.8 18.7 5.9
30 2 4 1 32.147 64.293 1.68104 31.9 2.4 2.3 5.9
31 3 1 -3 32.746 65.493 1.65359 46.8 3.6 3.4 5.9
32 1 5 2 33.452 66.904 1.62263 48.1 3.7 3.5 5.9
33 2 4 2 34.264 68.528 1.58872 36.2 2.8 2.6 5.9
34 3 1 2 35.175 70.351 1.55266 19.1 1.5 1.4 5.9
35 1 3 5 35.314 70.628 1.54737 143.2 10.9 10.2 5.9
36 3 3 -1 35.434 70.868 1.5428 283.1 21.5 20.2 5.9
37 3 3 0 35.909 71.818 1.52508 99.8 7.6 7.1 5.9
38 1 3 -6 37.024 74.049 1.48543 39.2 3.0 2.8 6.0
39 0 6 2 37.298 74.597 1.47609 16.0 1.2 1.1 6.0
40 0 0 7 38.205 76.411 1.44622 17.1 1.3 1.2 6.0
41 2 2 5 39.246 78.492 1.41382 13.3 1.0 0.9 6.0
42 3 3 2 39.613 79.226 1.40286 28.2 2.1 2.0 6.0
43 1 3 6 40.7 81.401 1.37165 158.0 12.0 11.0 6.1
44 0 4 6 40.997 81.993 1.36348 18.3 1.4 1.3 6.1
45 2 6 -1 42.066 84.132 1.33504 23.0 1.8 1.6 6.1
46 2 6 0 42.218 84.436 1.33114 97.1 7.4 6.7 6.1
47 3 3 3 42.776 85.552 1.31706 96.9 7.4 6.7 6.1
48 2 2 -7 42.839 85.677 1.3155 21.5 1.6 1.5 6.1
49 2 6 1 43.267 86.533 1.30503 74.3 5.7 5.1 6.1
50 2 6 -3 44.453 88.906 1.27721 46.3 3.5 3.2 6.2
51 2 2 6 44.803 89.606 1.26933 17.0 1.3 1.2 6.2
52 0 0 8 44.978 89.956 1.26544 22.8 1.7 1.6 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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