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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LITHIOPHORITE
1, t-lithiophorite, f-lithiophorite, g-lithiophorite
(Al,Li)MnO(2)(OH)(2)
Monoclinic C 2/m Z = 2
C2/m
11 .4 .1988
Ref.Str.:
Wadsley A.D. (1952)
* Acta Cryst., 5, 676-680
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.06 alpha = 90.0
b = 2.91 beta = 100.5
c = 9.55 gamma = 90.0
Unit cell volume (cub. angs.) = 138.27
Molar volume ( cub.cm/mol.) = 41.64
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Mn = 1.00
2 0.0 0.5 0.5 0.0 Al = 0.5 , Li = 0.5
3 0.696 0.0 0.103 0.0 O = 1.00
4 0.794 0.0 0.397 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.0 0.5 0.5
3 3 0.696 0.0 0.103
4 4 0.794 0.0 0.397
5 3 0.304 0.0 0.897
6 4 0.206 0.0 0.603
7 1 0.5 0.5 0.0
8 2 0.5 0.0 0.5
9 3 0.196 0.5 0.103
10 4 0.294 0.5 0.397
11 3 0.804 0.5 0.897
12 4 0.706 0.5 0.603
X-ray density (g/cm cub.) = 3.31
MU (1/cm) = 409.992 Mass attenuation coefficient (cm**2/g) = 123.809
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn 2.724 6
1.9711 3
1.9711 3
1.9268 3
1.9268 3
1.9268 3
1.9268 3
2 Al ,Li 2.448 0
3 O 3.264 9
2.91 3
2.91 3
2.5263 3
2.9185 3
2.9185 3
2.9185 3
2.9185 3
2.5841 3
2.5841 3
4 OH 3.312 1
2.7607 3
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 0 1 4.705 9.411 0.053 294.23 2 32.1 3171.7
2 0 0 2 9.443 18.886 0.106 71.38 2 72.9 3969.2
3 0 0 3 14.246 28.493 0.16 30.19 2 27.9 245.5
4 2 0 -1 17.79 35.58 0.198 18.69 2 28.7 161.5
5 1 1 0 17.858 35.715 0.199 18.54 4 24.6 234.9
6 2 0 0 18.038 36.075 0.201 18.13 2 11.2 23.9
7 1 1 -1 18.063 36.126 0.201 18.08 4 11.2 47.2
8 2 0 -2 18.84 37.68 0.21 16.48 2 62.0 662.7
9 1 1 1 18.944 37.888 0.211 16.28 4 61.9 1304.3
10 0 0 4 19.155 38.31 0.213 15.89 2 9.9 16.4
11 1 1 -2 19.524 39.049 0.217 15.23 4 25.1 201.2
12 2 0 1 19.54 39.08 0.217 15.2 2 25.0 99.4
13 2 0 -3 21.021 42.041 0.233 12.92 2 25.7 89.4
14 1 1 2 21.152 42.304 0.234 12.74 4 23.5 147.5
15 1 1 -3 22.031 44.063 0.243 11.63 4 13.7 45.9
16 2 0 2 22.081 44.162 0.244 11.57 2 13.8 23.0
17 2 0 -4 24.083 48.166 0.265 9.5 2 79.8 633.8
18 0 0 5 24.215 48.429 0.266 9.39 2 22.7 50.5
19 1 1 3 24.234 48.469 0.266 9.37 4 79.6 1241.9
20 1 1 -4 25.341 50.682 0.278 8.47 4 23.2 95.2
21 2 0 3 25.417 50.834 0.279 8.41 2 19.9 34.9
22 2 0 -5 27.821 55.642 0.303 6.84 2 19.6 27.4
23 1 1 4 27.987 55.974 0.305 6.75 4 21.5 65.4
24 1 1 -5 29.275 58.55 0.317 6.1 4 51.2 335.1
25 2 0 4 29.372 58.745 0.318 6.05 2 51.1 165.5
26 0 0 6 29.484 58.969 0.319 6.0 2 15.9 15.8
27 3 1 -1 31.861 63.722 0.343 5.05 4 66.0 461.1
28 0 2 0 31.965 63.93 0.344 5.02 2 66.0 228.7
29 2 0 -6 32.113 64.225 0.345 4.97 2 43.1 96.6
30 3 1 -2 32.262 64.525 0.346 4.92 4 17.4 31.0
31 1 1 5 32.292 64.584 0.347 4.91 4 43.0 189.6
32 3 1 0 32.317 64.633 0.347 4.9 4 20.6 43.5
33 0 2 1 32.393 64.785 0.348 4.88 4 18.9 36.6
34 3 1 -3 33.504 67.008 0.358 4.54 4 43.6 180.6
35 3 1 1 33.61 67.221 0.359 4.51 4 43.5 178.7
36 0 2 2 33.658 67.317 0.36 4.49 4 43.5 178.1
37 1 1 -6 33.741 67.482 0.361 4.47 4 18.8 33.2
38 2 0 5 33.858 67.715 0.362 4.44 2 17.5 14.2
39 0 0 7 35.045 70.09 0.373 4.13 2 17.9 13.9
40 3 1 -4 35.542 71.085 0.377 4.02 4 15.4 20.1
41 3 1 2 35.698 71.396 0.379 3.98 4 20.0 33.2
42 0 2 3 35.719 71.437 0.379 3.98 4 17.7 26.0
43 2 0 -7 36.918 73.835 0.39 3.74 2 15.8 9.8
44 1 1 6 37.112 74.224 0.392 3.7 4 17.9 24.8
45 4 0 -1 37.568 75.135 0.396 3.62 2 14.1 7.5
46 4 0 -2 37.667 75.333 0.397 3.6 2 13.6 7.0
47 2 2 -1 37.679 75.359 0.397 3.6 4 18.5 25.7
48 2 2 0 37.829 75.658 0.398 3.57 4 13.5 13.6
49 4 0 0 38.264 76.528 0.402 3.5 2 41.3 62.5
50 2 2 -2 38.325 76.65 0.403 3.49 4 41.3 124.7
51 3 1 -5 38.327 76.655 0.403 3.49 4 12.7 11.7
52 0 2 4 38.524 77.048 0.404 3.46 4 12.6 11.4
53 3 1 3 38.529 77.058 0.404 3.46 4 12.6 11.6
54 4 0 -3 38.559 77.118 0.405 3.46 2 16.8 10.2
55 1 1 -7 38.725 77.451 0.406 3.43 4 56.9 232.2
56 2 2 1 38.771 77.541 0.406 3.42 4 16.6 19.8
57 2 0 6 38.861 77.722 0.407 3.41 2 56.7 114.6
58 4 0 1 39.743 79.486 0.415 3.29 2 14.7 7.5
59 2 2 -3 39.753 79.506 0.415 3.29 4 17.2 20.3
60 4 0 -4 40.229 80.459 0.419 3.23 2 14.3 6.9
61 2 2 2 40.488 80.976 0.421 3.2 4 14.2 13.4
62 0 0 8 41.014 82.029 0.426 3.14 2 42.0 58.0
63 3 1 -6 41.826 83.653 0.433 3.05 4 16.0 16.3
64 2 2 -4 41.945 83.89 0.434 3.04 4 53.6 182.9
65 4 0 2 41.984 83.969 0.434 3.04 2 53.4 90.8
66 0 2 5 42.044 84.087 0.435 3.03 4 15.7 15.7
67 3 1 4 42.073 84.146 0.435 3.03 4 15.5 15.2
68 2 0 -8 42.273 84.546 0.437 3.01 2 11.7 4.3
69 1 1 7 42.485 84.97 0.438 3.0 4 11.6 8.5
70 4 0 -5 42.658 85.316 0.44 2.98 2 18.2 10.4
71 2 2 3 42.963 85.926 0.442 2.96 4 14.1 12.4
72 1 1 -8 44.293 88.587 0.453 2.87 4 14.7 12.9
73 2 0 7 44.45 88.901 0.455 2.86 2 16.0 7.7
74 2 2 -5 44.89 89.781 0.458 2.83 4 14.1 11.8
75 4 0 3 44.979 89.957 0.459 2.83 2 16.7 8.2
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 0 1 4.705 9.411 9.39009 3171.7 79.9 80.4 5.6
2 0 0 2 9.443 18.886 4.69504 3969.2 100.0 100.0 5.6
3 0 0 3 14.246 28.493 3.13003 245.5 6.2 6.1 5.6
4 2 0 -1 17.79 35.58 2.5211 161.5 4.1 4.0 5.7
5 1 1 0 17.858 35.715 2.51189 234.9 5.9 5.8 5.7
6 1 1 -1 18.063 36.126 2.4843 71.1 1.8 1.8 5.7
7 2 0 -2 18.84 37.68 2.38533 662.7 16.7 16.4 5.7
8 1 1 1 18.944 37.888 2.37268 1304.3 32.9 32.4 5.7
9 1 1 -2 19.524 39.049 2.30479 300.6 7.6 7.4 5.7
10 2 0 -3 21.021 42.041 2.1474 89.4 2.3 2.2 5.7
11 1 1 2 21.152 42.304 2.13464 147.5 3.7 3.6 5.7
12 1 1 -3 22.031 44.063 2.05345 45.9 1.2 1.1 5.7
13 2 0 -4 24.083 48.166 1.88766 633.8 16.0 15.6 5.7
14 1 1 3 24.234 48.469 1.87658 1292.4 32.6 31.7 5.7
15 1 1 -4 25.341 50.682 1.79971 95.2 2.4 2.3 5.8
16 1 1 4 27.987 55.974 1.64143 65.4 1.6 1.6 5.8
17 1 1 -5 29.275 58.55 1.57522 335.1 8.4 8.1 5.8
18 2 0 4 29.372 58.745 1.57044 165.5 4.2 4.0 5.8
19 3 1 -1 31.861 63.722 1.45925 461.1 11.6 11.1 5.9
20 0 2 0 31.965 63.93 1.455 228.7 5.8 5.5 5.9
21 2 0 -6 32.113 64.225 1.44903 96.6 2.4 2.3 5.9
22 1 1 5 32.292 64.584 1.44183 233.0 5.9 5.6 5.9
23 3 1 -3 33.504 67.008 1.39545 180.6 4.6 4.3 5.9
24 3 1 1 33.61 67.221 1.39154 178.7 4.5 4.3 5.9
25 0 2 2 33.658 67.317 1.38979 178.1 4.5 4.3 5.9
26 3 1 2 35.698 71.396 1.32008 59.2 1.5 1.4 5.9
27 4 0 0 38.264 76.528 1.24382 62.5 1.6 1.5 6.0
28 2 2 -2 38.325 76.65 1.24215 136.4 3.4 3.2 6.0
29 1 1 -7 38.725 77.451 1.23129 232.2 5.8 5.4 6.0
30 2 0 6 38.861 77.722 1.22767 114.6 2.9 2.7 6.0
31 0 0 8 41.014 82.029 1.17376 58.0 1.5 1.3 6.1
32 2 2 -4 41.945 83.89 1.1524 182.9 4.6 4.2 6.1
33 4 0 2 41.984 83.969 1.15152 90.8 2.3 2.1 6.1
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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