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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BISMUTOFERRITE
1, f-bismutoferrite
BiFe(2)Si(2)O(8)OH
Monoclinic C m Z = 2
Cm
16 .4 .1992
Ref.Str.:
Zukhlistov A.P., Zvjagin B.B. (1977)
* Kristallogr., 22, 731-738
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.21 alpha = 90.0
b = 9.02 beta = 100.67
c = 7.74 gamma = 90.0
Unit cell volume (cub. angs.) = 357.45
Molar volume ( cub.cm/mol.) = 107.65
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.413 0.5 0.716 0.0 Bi = 1.00
2 0.5 0.165 0.0 0.0 Fe = 1.00
3 0.316 0.166 0.369 0.0 Si = 1.00
4 0.295 0.328 0.856 0.0 O = 1.00
5 0.317 0.0 0.872 0.0 O = 1.00
6 0.219 0.17 0.143 0.0 O = 1.00
7 0.684 0.0 0.145 0.0 OH = 1.00
8 0.081 0.248 0.448 0.0 O = 1.00
9 0.326 0.0 0.429 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.413 0.5 0.716
2 2 0.5 0.165 0.0
3 3 0.316 0.166 0.369
4 4 0.295 0.328 0.856
5 5 0.317 0.0 0.872
6 6 0.219 0.17 0.143
7 7 0.684 0.0 0.145
8 8 0.081 0.248 0.448
9 9 0.326 0.0 0.429
10 2 0.5 0.835 0.0
11 3 0.316 0.834 0.369
12 4 0.295 0.672 0.856
13 6 0.219 0.83 0.143
14 8 0.081 0.752 0.448
15 1 0.913 0.0 0.716
16 2 0.0 0.335 0.0
17 3 0.816 0.334 0.369
18 4 0.795 0.172 0.856
19 5 0.817 0.5 0.872
20 6 0.719 0.33 0.143
21 7 0.184 0.5 0.145
22 8 0.581 0.252 0.448
23 9 0.826 0.5 0.429
24 2 0.0 0.665 0.0
25 3 0.816 0.666 0.369
26 4 0.795 0.828 0.856
27 6 0.719 0.67 0.143
28 8 0.581 0.748 0.448
X-ray density (g/cm cub.) = 4.85
MU (1/cm) = 799.023 Mass attenuation coefficient (cm**2/g) = 164.85
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Bi 3.12 3
2.0508 4
2.0508 4
2.2242 5
2 Fe 2.64 6
2.0258 4
1.938 5
1.9926 6
1.9988 7
2.0598 4
2.0674 6
3 Si 2.148 4
1.7289 6
1.6423 8
1.5657 9
1.6029 8
4 O 3.312 10
2.9625 5
2.7291 6
3.2299 8
3.1029 4
2.9607 4
2.9607 4
3.1135 5
2.9561 5
2.828 6
2.8677 7
5 O 3.312 9
2.9625 4
2.7218 6
2.5739 7
2.9625 4
2.7218 6
2.9561 4
3.1135 4
2.9561 4
3.1135 4
6 O 3.312 12
2.7291 4
2.7218 5
2.8648 7
3.1838 7
2.6858 8
2.6656 9
3.0668 6
2.828 4
2.9781 6
2.9781 6
2.9824 7
2.8334 8
7 OH 3.36 10
2.5739 5
3.1838 6
2.8648 6
3.1351 9
3.1838 6
2.8648 6
2.8677 4
2.9824 6
2.8677 4
2.9824 6
8 O 3.312 7
3.2299 4
2.6858 6
2.5932 9
2.8334 6
2.6052 8
2.6052 8
2.6232 9
9 O 3.312 7
2.6656 6
3.1351 7
2.5932 8
2.6656 6
2.5932 8
2.6232 8
2.6232 8
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 6.753 13.507 0.066 141.66 2 111.7 2766.6
2 0 2 0 11.439 22.878 0.111 47.96 2 70.3 370.9
3 1 1 0 11.589 23.177 0.112 46.67 4 78.8 907.1
4 1 1 -1 12.463 24.927 0.121 40.07 4 135.9 2315.9
5 0 2 1 13.331 26.661 0.129 34.77 4 173.3 3269.9
6 0 0 2 13.603 27.206 0.131 33.31 2 39.0 79.5
7 1 1 1 14.393 28.787 0.139 29.54 4 215.9 4312.0
8 1 1 -2 16.478 32.956 0.159 22.09 4 221.3 3386.2
9 0 2 2 17.918 35.836 0.172 18.4 4 199.3 2289.0
10 1 1 2 19.451 38.901 0.186 15.36 4 168.3 1362.4
11 1 3 0 20.182 40.363 0.193 14.15 4 216.3 2072.0
12 2 0 -1 20.329 40.659 0.194 13.92 2 212.7 985.8
13 2 0 0 20.451 40.902 0.195 13.74 2 163.0 571.3
14 0 0 3 20.658 41.316 0.197 13.43 2 203.4 870.0
15 1 3 -1 20.726 41.452 0.198 13.33 4 143.4 857.9
16 1 3 1 22.011 44.021 0.209 11.65 4 82.9 250.6
17 1 1 -3 22.137 44.273 0.211 11.5 4 117.1 494.0
18 2 0 -2 22.542 45.084 0.214 11.04 2 87.0 130.7
19 2 0 1 22.877 45.754 0.217 10.68 2 97.6 159.2
20 0 4 0 23.369 46.739 0.222 10.18 2 111.9 199.6
21 1 3 -2 23.51 47.019 0.223 10.04 4 97.8 300.6
22 2 2 -1 23.581 47.161 0.224 9.97 4 130.1 527.9
23 2 2 0 23.689 47.377 0.225 9.87 4 134.8 561.2
24 0 2 3 23.873 47.747 0.226 9.7 4 97.7 289.5
25 0 4 1 24.439 48.878 0.231 9.19 4 158.0 718.4
26 2 2 -2 25.571 51.142 0.241 8.29 4 160.4 668.0
27 1 1 3 25.669 51.338 0.242 8.22 4 86.0 190.3
28 1 3 2 25.809 51.619 0.243 8.12 4 114.2 331.6
29 2 2 1 25.876 51.751 0.244 8.07 4 159.5 642.8
30 2 0 -3 26.629 53.259 0.251 7.56 2 139.4 229.9
31 2 0 2 27.122 54.244 0.255 7.25 2 163.8 304.5
32 0 4 2 27.461 54.922 0.258 7.05 4 145.1 464.9
33 1 3 -3 28.018 56.035 0.263 6.74 4 176.8 659.1
34 0 0 4 28.059 56.119 0.263 6.71 2 144.7 219.9
35 1 1 -4 28.739 57.478 0.269 6.36 4 91.3 166.0
36 2 2 -3 29.349 58.699 0.274 6.06 4 130.2 321.7
37 2 2 2 29.812 59.624 0.278 5.86 4 123.5 279.4
38 0 2 4 30.696 61.393 0.285 5.49 4 112.1 215.7
39 1 3 3 31.068 62.135 0.288 5.34 4 246.4 1015.4
40 3 1 -1 31.662 63.324 0.293 5.12 4 66.1 70.2
41 1 5 0 31.715 63.431 0.294 5.1 4 78.6 98.6
42 2 4 -1 31.822 63.645 0.295 5.07 4 84.3 112.7
43 2 4 0 31.911 63.822 0.295 5.04 4 98.5 152.9
44 0 4 3 32.063 64.125 0.297 4.98 4 109.8 188.0
45 2 0 -4 32.106 64.213 0.297 4.97 2 230.2 412.4
46 1 5 -1 32.112 64.225 0.297 4.97 4 114.0 202.1
47 3 1 0 32.236 64.472 0.298 4.93 4 133.2 273.6
48 1 1 4 32.712 65.424 0.302 4.77 4 136.5 278.5
49 2 0 3 32.721 65.442 0.302 4.77 2 208.4 324.4
50 3 1 -2 32.847 65.693 0.303 4.73 4 155.5 358.2
51 1 5 1 33.073 66.146 0.305 4.66 4 171.0 426.7
52 2 4 -2 33.479 66.959 0.308 4.54 4 167.9 401.1
53 2 4 1 33.738 67.476 0.31 4.47 4 184.5 476.5
54 1 3 -4 33.824 67.648 0.311 4.45 4 198.8 550.2
55 1 5 -2 34.232 68.464 0.314 4.34 4 169.1 388.3
56 3 1 1 34.522 69.044 0.317 4.26 4 164.1 359.5
57 2 2 -4 34.562 69.123 0.317 4.25 4 110.4 162.3
58 2 2 3 35.154 70.309 0.322 4.11 4 105.2 142.3
59 3 1 -3 35.7 71.399 0.326 3.98 4 157.9 311.2
60 0 0 5 36.014 72.028 0.329 3.92 2 72.2 31.9
61 1 5 2 36.084 72.168 0.329 3.9 4 139.4 237.3
62 1 1 -5 36.153 72.307 0.33 3.89 4 151.3 278.5
63 0 6 0 36.512 73.023 0.333 3.81 2 251.1 376.3
64 3 3 -1 36.523 73.046 0.333 3.81 4 246.5 725.0
65 2 4 -3 36.764 73.529 0.335 3.76 4 134.2 212.2
66 3 3 0 37.06 74.12 0.337 3.71 4 125.9 184.0
67 2 4 2 37.178 74.355 0.338 3.69 4 115.7 154.6
68 0 6 1 37.336 74.673 0.339 3.66 4 106.9 131.0
69 1 3 4 37.507 75.015 0.34 3.63 4 113.9 147.3
70 3 3 -2 37.634 75.269 0.341 3.61 4 95.2 102.4
71 1 5 -3 37.938 75.877 0.344 3.55 4 101.8 115.3
72 0 4 4 37.974 75.948 0.344 3.55 4 129.9 187.3
73 0 2 5 38.355 76.71 0.347 3.49 4 151.0 248.9
74 3 1 2 38.38 76.76 0.347 3.48 4 89.0 86.5
75 2 0 -5 38.747 77.494 0.35 3.43 2 103.4 57.3
76 3 3 1 39.222 78.444 0.353 3.36 4 45.8 22.1
77 2 0 4 39.477 78.955 0.355 3.32 2 121.8 77.2
78 0 6 2 39.776 79.551 0.358 3.28 4 66.7 45.7
79 3 1 -4 40.077 80.153 0.36 3.25 4 76.7 59.7
80 3 3 -3 40.349 80.698 0.362 3.21 4 85.0 72.6
81 1 5 3 40.608 81.216 0.364 3.18 4 79.0 62.1
82 1 1 5 40.635 81.271 0.364 3.18 4 142.7 202.5
83 1 3 -5 40.785 81.571 0.365 3.16 4 123.4 150.7
84 2 2 -5 41.038 82.075 0.367 3.13 4 145.6 208.1
85 2 4 -4 41.544 83.087 0.371 3.08 4 76.3 56.2
86 2 2 4 41.758 83.517 0.372 3.06 4 147.2 207.7
87 2 4 3 42.103 84.206 0.375 3.03 4 71.9 49.1
88 3 3 2 42.944 85.888 0.381 2.96 4 153.4 217.9
89 1 5 -4 43.119 86.238 0.382 2.95 4 84.5 65.8
90 4 0 -1 43.379 86.759 0.384 2.93 2 196.2 176.3
91 2 6 -1 43.55 87.1 0.385 2.91 4 185.7 314.6
92 2 6 0 43.63 87.259 0.386 2.91 4 147.8 199.0
93 3 1 3 43.708 87.415 0.386 2.9 4 93.3 79.2
94 0 6 3 43.766 87.532 0.387 2.9 4 158.1 226.8
95 4 0 -2 44.014 88.027 0.388 2.88 2 110.4 55.0
96 4 0 0 44.331 88.663 0.391 2.86 2 43.7 8.6
97 1 1 -6 44.573 89.146 0.392 2.85 4 124.7 138.7
98 3 3 -4 44.608 89.216 0.393 2.85 4 151.8 205.6
99 0 0 6 44.876 89.753 0.394 2.83 2 129.5 74.4
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 6.753 13.507 7.60617 2766.6 64.2 64.8 5.6
2 0 2 0 11.439 22.878 4.51 370.9 8.6 8.6 5.6
3 1 1 0 11.589 23.177 4.45262 907.1 21.0 21.1 5.6
4 1 1 -1 12.463 24.927 4.14459 2315.9 53.7 53.9 5.6
5 0 2 1 13.331 26.661 3.87932 3269.9 75.8 76.0 5.6
6 0 0 2 13.603 27.206 3.80309 79.5 1.8 1.8 5.6
7 1 1 1 14.393 28.787 3.59831 4312.0 100.0 100.0 5.6
8 1 1 -2 16.478 32.956 3.15344 3386.2 78.5 78.3 5.6
9 0 2 2 17.918 35.836 2.90737 2289.0 53.1 52.8 5.7
10 1 1 2 19.451 38.901 2.68611 1362.4 31.6 31.3 5.7
11 1 3 0 20.182 40.363 2.59267 2072.0 48.1 47.6 5.7
12 2 0 -1 20.329 40.659 2.57462 985.8 22.9 22.6 5.7
13 2 0 0 20.451 40.902 2.55996 571.3 13.2 13.1 5.7
14 0 0 3 20.658 41.316 2.53539 870.0 20.2 19.9 5.7
15 1 3 -1 20.726 41.452 2.52745 857.9 19.9 19.7 5.7
16 1 3 1 22.011 44.021 2.38664 250.6 5.8 5.7 5.7
17 1 1 -3 22.137 44.273 2.37372 494.0 11.5 11.3 5.7
18 2 0 -2 22.542 45.084 2.33318 130.7 3.0 3.0 5.7
19 2 0 1 22.877 45.754 2.30085 159.2 3.7 3.6 5.7
20 0 4 0 23.369 46.739 2.255 199.6 4.6 4.5 5.7
21 1 3 -2 23.51 47.019 2.2423 300.6 7.0 6.8 5.7
22 2 2 -1 23.581 47.161 2.23593 527.9 12.2 12.0 5.7
23 2 2 0 23.689 47.377 2.22631 561.2 13.0 12.8 5.7
24 0 2 3 23.873 47.747 2.2101 289.5 6.7 6.6 5.7
25 0 4 1 24.439 48.878 2.16199 718.4 16.7 16.3 5.7
26 2 2 -2 25.571 51.142 2.0723 668.0 15.5 15.1 5.8
27 1 1 3 25.669 51.338 2.06491 190.3 4.4 4.3 5.8
28 1 3 2 25.809 51.619 2.05445 331.6 7.7 7.5 5.8
29 2 2 1 25.876 51.751 2.04954 642.8 14.9 14.6 5.8
30 2 0 -3 26.629 53.259 1.9956 229.9 5.3 5.2 5.8
31 2 0 2 27.122 54.244 1.96204 304.5 7.1 6.9 5.8
32 0 4 2 27.461 54.922 1.93966 464.9 10.8 10.5 5.8
33 1 3 -3 28.018 56.035 1.90414 659.1 15.3 14.9 5.8
34 0 0 4 28.059 56.119 1.90154 219.9 5.1 5.0 5.8
35 1 1 -4 28.739 57.478 1.86028 166.0 3.9 3.7 5.8
36 2 2 -3 29.349 58.699 1.82493 321.7 7.5 7.2 5.8
37 2 2 2 29.812 59.624 1.79916 279.4 6.5 6.3 5.8
38 0 2 4 30.696 61.393 1.75217 215.7 5.0 4.8 5.8
39 1 3 3 31.068 62.135 1.73329 1015.4 23.5 22.7 5.8
40 3 1 -1 31.662 63.324 1.70404 70.2 1.6 1.6 5.9
41 1 5 0 31.715 63.431 1.70147 98.6 2.3 2.2 5.9
42 2 4 -1 31.822 63.645 1.69634 112.7 2.6 2.5 5.9
43 2 4 0 31.911 63.822 1.69213 152.9 3.5 3.4 5.9
44 0 4 3 32.063 64.125 1.68497 188.0 4.4 4.2 5.9
45 2 0 -4 32.106 64.213 1.68292 614.4 14.2 13.7 5.9
46 3 1 0 32.236 64.472 1.67689 273.6 6.3 6.1 5.9
47 2 0 3 32.721 65.442 1.65474 602.8 14.0 13.4 5.9
48 3 1 -2 32.847 65.693 1.6491 358.2 8.3 8.0 5.9
49 1 5 1 33.073 66.146 1.63909 426.7 9.9 9.5 5.9
50 2 4 -2 33.479 66.959 1.62146 401.1 9.3 8.9 5.9
51 2 4 1 33.738 67.476 1.61049 476.5 11.0 10.5 5.9
52 1 3 -4 33.824 67.648 1.60687 550.2 12.8 12.2 5.9
53 1 5 -2 34.232 68.464 1.59002 388.3 9.0 8.6 5.9
54 3 1 1 34.522 69.044 1.57831 359.5 8.3 7.9 5.9
55 2 2 -4 34.562 69.123 1.57672 162.3 3.8 3.6 5.9
56 2 2 3 35.154 70.309 1.55347 142.3 3.3 3.1 5.9
57 3 1 -3 35.7 71.399 1.53283 311.2 7.2 6.8 5.9
58 1 5 2 36.084 72.168 1.51868 237.3 5.5 5.2 5.9
59 1 1 -5 36.153 72.307 1.51616 278.5 6.5 6.1 5.9
60 3 3 -1 36.523 73.046 1.50293 1101.3 25.5 24.1 6.0
61 2 4 -3 36.764 73.529 1.49444 212.2 4.9 4.6 6.0
62 3 3 0 37.06 74.12 1.48421 184.0 4.3 4.0 6.0
63 2 4 2 37.178 74.355 1.48018 154.6 3.6 3.4 6.0
64 0 6 1 37.336 74.673 1.4748 131.0 3.0 2.9 6.0
65 1 3 4 37.507 75.015 1.46906 147.3 3.4 3.2 6.0
66 3 3 -2 37.634 75.269 1.46484 102.4 2.4 2.2 6.0
67 1 5 -3 37.938 75.877 1.45485 115.3 2.7 2.5 6.0
68 0 4 4 37.974 75.948 1.45369 187.3 4.3 4.1 6.0
69 0 2 5 38.355 76.71 1.44144 335.4 7.8 7.3 6.0
70 2 0 -5 38.747 77.494 1.42912 57.3 1.3 1.2 6.0
71 2 0 4 39.477 78.955 1.40689 77.2 1.8 1.7 6.0
72 0 6 2 39.776 79.551 1.39807 45.7 1.1 1.0 6.0
73 3 1 -4 40.077 80.153 1.38932 59.7 1.4 1.3 6.0
74 3 3 -3 40.349 80.698 1.38153 72.6 1.7 1.6 6.1
75 1 1 5 40.635 81.271 1.37347 264.7 6.1 5.7 6.1
76 1 3 -5 40.785 81.571 1.36929 150.7 3.5 3.2 6.1
77 2 2 -5 41.038 82.075 1.36235 208.1 4.8 4.5 6.1
78 2 4 -4 41.544 83.087 1.34872 56.2 1.3 1.2 6.1
79 2 2 4 41.758 83.517 1.34305 207.7 4.8 4.4 6.1
80 2 4 3 42.103 84.206 1.33409 49.1 1.1 1.0 6.1
81 3 3 2 42.944 85.888 1.3129 217.9 5.1 4.6 6.1
82 1 5 -4 43.119 86.238 1.30862 65.8 1.5 1.4 6.1
83 4 0 -1 43.379 86.759 1.30231 176.3 4.1 3.7 6.1
84 2 6 -1 43.55 87.1 1.29822 314.6 7.3 6.7 6.1
85 2 6 0 43.63 87.259 1.29633 199.0 4.6 4.2 6.2
86 3 1 3 43.708 87.415 1.29448 79.2 1.8 1.7 6.2
87 0 6 3 43.766 87.532 1.29311 226.8 5.3 4.8 6.2
88 4 0 -2 44.014 88.027 1.28731 55.0 1.3 1.2 6.2
89 1 1 -6 44.573 89.146 1.27449 138.7 3.2 2.9 6.2
90 3 3 -4 44.608 89.216 1.2737 205.6 4.8 4.3 6.2
91 0 0 6 44.876 89.753 1.2677 74.4 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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