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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FERBERITE
2, light, s-ferberite
(Fe,Mn,Mg)(2.21)W(1.91)O(8)
Monoclinic P 2/c Z = 1
R =0.07
28 .11 .1989
Ref.Str.:
C.Escobar, H.Cid-Dresdner, P.Kittl, I.Dumler (1971)
* Amer. Mineral., 56, 489-498
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.753 alpha = 90.0
b = 5.72 beta = 90.08
c = 4.968 gamma = 90.0
Unit cell volume (cub. angs.) = 135.07
Molar volume ( cub.cm/mol.) = 81.36
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.1808 0.25 0.2 W = 1.00
2 0.5 0.3215 0.75 0.45 Fe = 1.00
3 0.2167 0.1017 0.5883 0.6 O = 1.00
4 0.2583 0.39 0.09 0.6 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.1808 0.25
2 2 0.5 0.3215 0.75
3 3 0.2167 0.1017 0.5883
4 4 0.2583 0.39 0.09
5 3 0.7833 0.1017 0.9117
6 4 0.7417 0.39 0.41
7 1 0.0 0.8192 0.75
8 2 0.5 0.6785 0.25
9 3 0.2167 0.8983 0.0883
10 4 0.2583 0.61 0.59
11 3 0.7833 0.8983 0.4117
12 4 0.7417 0.61 0.91
X-ray density (g/cm cub.) = 7.46
MU (1/cm) = 1243.827 Mass attenuation coefficient (cm**2/g) = 166.622
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 W 2.448 6
2.0212 3
1.8904 4
2.0212 3
1.8904 4
2.0784 3
2.0784 3
2 Fe 2.592 6
2.009 3
2.0813 4
2.009 3
2.0813 4
2.1615 4
2.1615 4
3 O 3.264 12
2.9949 4
2.9813 4
3.134 3
2.6142 3
3.1204 4
2.9318 4
2.743 3
2.743 3
2.9142 4
2.8195 4
3.0631 3
2.5222 3
4 O 3.264 12
2.9813 3
2.9949 3
3.1204 3
2.9318 3
2.7922 4
2.927 4
2.9142 3
2.8195 3
2.7846 4
2.7846 4
2.7691 4
2.8993 4
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 1 0 8.997 17.993 0.087 78.86 2 39.5 1349.3
2 1 0 0 10.847 21.694 0.105 53.57 2 96.3 5446.0
3 0 1 1 13.796 27.593 0.133 32.33 4 82.5 4819.0
4 1 1 0 14.163 28.326 0.137 30.58 4 81.0 4402.8
5 1 1 -1 17.676 35.351 0.17 18.96 4 151.2 9500.3
6 1 1 1 17.694 35.389 0.17 18.91 4 153.1 9727.1
7 0 2 0 18.225 36.45 0.175 17.73 2 96.9 1823.4
8 0 0 2 21.106 42.211 0.201 12.8 2 144.0 2910.2
9 0 2 1 21.154 42.307 0.202 12.74 4 102.7 2946.2
10 1 2 0 21.408 42.815 0.204 12.4 4 54.1 797.2
11 2 0 0 22.109 44.219 0.21 11.53 2 120.5 1835.5
12 0 1 2 23.115 46.23 0.219 10.43 4 33.9 262.8
13 1 0 -2 23.958 47.916 0.227 9.62 2 45.4 217.2
14 1 0 2 23.987 47.974 0.227 9.59 2 116.7 1433.1
15 1 2 -1 24.009 48.017 0.227 9.57 4 93.3 1827.5
16 1 2 1 24.023 48.047 0.228 9.56 4 28.2 167.2
17 2 1 0 24.052 48.104 0.228 9.53 4 34.9 254.5
18 1 1 -2 25.794 51.588 0.243 8.13 4 63.3 715.1
19 1 1 2 25.822 51.643 0.243 8.11 4 63.6 718.8
20 2 1 -1 26.446 52.892 0.249 7.68 4 77.4 1009.6
21 2 1 1 26.473 52.946 0.249 7.66 4 67.7 769.5
22 0 3 0 27.977 55.955 0.262 6.76 2 74.1 407.1
23 0 2 2 28.486 56.972 0.267 6.49 4 98.7 1385.5
24 2 2 0 29.298 58.597 0.274 6.09 4 101.8 1382.4
25 0 3 1 30.165 60.329 0.281 5.7 4 22.5 63.2
26 1 3 0 30.362 60.724 0.283 5.62 4 141.9 2481.2
27 1 2 -2 30.833 61.667 0.287 5.43 4 58.3 404.8
28 1 2 2 30.858 61.716 0.287 5.42 4 44.6 236.1
29 2 0 -2 31.367 62.735 0.291 5.23 2 152.2 1328.8
30 2 2 -1 31.416 62.832 0.291 5.21 4 129.6 1920.6
31 2 0 2 31.416 62.832 0.291 5.21 2 160.8 1476.6
32 2 2 1 31.44 62.881 0.292 5.2 4 121.8 1692.0
33 1 3 -1 32.444 64.889 0.3 4.86 4 37.2 147.2
34 1 3 1 32.456 64.913 0.3 4.85 4 38.5 157.8
35 2 1 -2 32.923 65.845 0.304 4.71 4 26.3 71.5
36 2 1 2 32.97 65.94 0.304 4.69 4 37.5 144.4
37 0 1 3 34.216 68.432 0.314 4.34 4 68.5 446.5
38 3 0 0 34.372 68.744 0.316 4.3 2 69.5 227.8
39 3 1 0 35.861 71.722 0.327 3.95 4 49.2 209.4
40 0 3 2 36.256 72.511 0.331 3.87 4 72.5 445.7
41 1 1 -3 36.351 72.702 0.331 3.85 4 123.8 1293.3
42 1 1 3 36.385 72.77 0.332 3.84 4 124.5 1304.5
43 2 3 0 36.973 73.947 0.336 3.72 4 73.7 443.1
44 2 2 -2 37.391 74.782 0.339 3.65 4 83.7 560.6
45 2 2 2 37.436 74.872 0.34 3.64 4 81.3 527.8
46 3 1 -1 37.78 75.56 0.342 3.58 4 124.7 1221.3
47 3 1 1 37.814 75.628 0.343 3.58 4 121.4 1156.0
48 1 3 -2 38.349 76.699 0.347 3.49 4 128.5 1262.2
49 1 3 2 38.372 76.743 0.347 3.48 4 124.8 1190.2
50 0 2 3 38.619 77.239 0.349 3.45 4 125.8 1196.0
51 0 4 0 38.719 77.437 0.35 3.43 2 46.5 81.3
52 2 3 -1 38.878 77.756 0.351 3.41 4 15.5 17.9
53 2 3 1 38.9 77.8 0.351 3.4 4 25.9 49.9
54 3 2 0 40.196 80.392 0.361 3.23 4 49.1 170.9
55 0 4 1 40.609 81.218 0.364 3.18 4 132.0 1215.9
56 1 2 -3 40.668 81.337 0.364 3.17 4 59.1 242.8
57 1 2 3 40.701 81.403 0.365 3.17 4 53.9 201.7
58 1 4 0 40.783 81.566 0.365 3.16 4 12.0 10.1
59 3 0 -2 42.006 84.011 0.374 3.04 2 93.1 288.6
60 3 2 -1 42.054 84.109 0.374 3.03 4 39.0 101.3
61 3 0 2 42.071 84.142 0.375 3.03 2 54.5 98.7
62 3 2 1 42.087 84.174 0.375 3.03 4 74.2 365.9
63 2 1 -3 42.55 85.1 0.378 2.99 4 66.1 286.5
64 2 1 3 42.615 85.23 0.378 2.98 4 65.3 279.4
65 1 4 -1 42.647 85.294 0.379 2.98 4 62.0 251.2
66 1 4 1 42.658 85.316 0.379 2.98 4 80.0 418.8
67 3 1 -2 43.411 86.822 0.384 2.92 4 54.4 189.7
68 3 1 2 43.476 86.953 0.385 2.92 4 56.8 206.6
69 2 3 -2 44.486 88.971 0.392 2.86 4 64.8 262.7
70 2 3 2 44.529 89.058 0.392 2.85 4 68.6 294.0
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 1 0 8.997 17.993 5.72 1349.3 7.0 7.1 5.6
2 1 0 0 10.847 21.694 4.753 5446.0 28.3 28.6 5.6
3 0 1 1 13.796 27.593 3.7508 4819.0 25.1 25.2 5.6
4 1 1 0 14.163 28.326 3.65565 4402.8 22.9 23.0 5.6
5 1 1 1 17.694 35.389 2.9429 19227.4 100.0 100.0 5.7
6 0 2 0 18.225 36.45 2.86 1823.4 9.5 9.5 5.7
7 0 0 2 21.106 42.211 2.484 2910.2 15.1 15.0 5.7
8 0 2 1 21.154 42.307 2.47862 2946.2 15.3 15.2 5.7
9 1 2 0 21.408 42.815 2.45056 797.2 4.1 4.1 5.7
10 2 0 0 22.109 44.219 2.3765 1835.5 9.5 9.5 5.7
11 0 1 2 23.115 46.23 2.27843 262.8 1.4 1.4 5.7
12 1 0 -2 23.958 47.916 2.20274 217.2 1.1 1.1 5.7
13 1 2 -1 24.009 48.017 2.19836 3427.8 17.8 17.6 5.7
14 2 1 0 24.052 48.104 2.19462 254.5 1.3 1.3 5.7
15 1 1 2 25.822 51.643 2.05354 1433.9 7.5 7.3 5.8
16 2 1 -1 26.446 52.892 2.00843 1779.1 9.3 9.1 5.8
17 0 3 0 27.977 55.955 1.90667 407.1 2.1 2.1 5.8
18 0 2 2 28.486 56.972 1.8754 1385.5 7.2 7.0 5.8
19 2 2 0 29.298 58.597 1.82782 1382.4 7.2 7.0 5.8
20 1 3 0 30.362 60.724 1.76959 2481.2 12.9 12.5 5.8
21 1 2 -2 30.833 61.667 1.74514 640.9 3.3 3.2 5.8
22 2 0 -2 31.367 62.735 1.71838 1328.8 6.9 6.7 5.9
23 2 2 -1 31.416 62.832 1.716 5089.3 26.5 25.6 5.9
24 1 3 1 32.456 64.913 1.66672 304.9 1.6 1.5 5.9
25 0 1 3 34.216 68.432 1.59068 446.5 2.3 2.2 5.9
26 3 0 0 34.372 68.744 1.58433 227.8 1.2 1.1 5.9
27 3 1 0 35.861 71.722 1.52685 209.4 1.1 1.0 5.9
28 0 3 2 36.256 72.511 1.51248 445.7 2.3 2.2 5.9
29 1 1 -3 36.351 72.702 1.50905 1293.3 6.7 6.4 6.0
30 1 1 3 36.385 72.77 1.50784 1304.5 6.8 6.5 6.0
31 2 3 0 36.973 73.947 1.48719 443.1 2.3 2.2 6.0
32 2 2 -2 37.391 74.782 1.47296 560.6 2.9 2.8 6.0
33 2 2 2 37.436 74.872 1.47145 527.8 2.7 2.6 6.0
34 3 1 -1 37.78 75.56 1.46002 1221.3 6.4 6.0 6.0
35 3 1 1 37.814 75.628 1.45892 1156.0 6.0 5.7 6.0
36 1 3 -2 38.349 76.699 1.44162 2452.4 12.8 12.0 6.0
37 0 2 3 38.619 77.239 1.4331 1196.0 6.2 5.9 6.0
38 0 4 1 40.609 81.218 1.3742 1215.9 6.3 5.9 6.1
39 1 2 -3 40.668 81.337 1.37255 242.8 1.3 1.2 6.1
40 1 2 3 40.701 81.403 1.37163 201.7 1.0 1.0 6.1
41 3 0 -2 42.006 84.011 1.33661 288.6 1.5 1.4 6.1
42 3 2 -1 42.054 84.109 1.33534 200.0 1.0 1.0 6.1
43 3 2 1 42.087 84.174 1.3345 365.9 1.9 1.8 6.1
44 2 1 -3 42.55 85.1 1.32271 286.5 1.5 1.4 6.1
45 2 1 3 42.615 85.23 1.32107 279.4 1.5 1.3 6.1
46 1 4 1 42.658 85.316 1.32 670.0 3.5 3.2 6.1
47 3 1 2 43.476 86.953 1.29998 206.6 1.1 1.0 6.1
48 2 3 -2 44.486 88.971 1.27647 262.7 1.4 1.3 6.2
49 2 3 2 44.529 89.058 1.27549 294.0 1.5 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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