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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RHODIZITE
1
(K,Cs)Al(4)Be(4)(B,Be)(12)O(28)
Cubic P 4(-)3m Z = 1
R =0.034
10 .5 .90
Ref.Str.:
Pring A., Din V.K., Jefferson D.A., Thomas J.M. (1986)
* Mineral. Mag., 50, 163-172
L: $K0.46 Cs0.36 Rb0.06 Na0.02 Al4 Be4.56 B11.35 O28$
R: Locality - Ambatofinandrahana, Ankarata Mts, Madagascar.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.318 alpha = 90.0
b = 7.318 beta = 90.0
c = 7.318 gamma = 90.0
Unit cell volume (cub. angs.) = 391.9
Molar volume ( cub.cm/mol.) = 236.06
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 K = 0.46, Cs = 0.36, Rb = 0.06, Na = 0.02
2 0.36 0.36 0.36 0.0 Al = 1.00
3 0.7429 0.7429 0.7429 0.0 Be = 1.00
4 0.2482 0.5 0.0 0.0 B = 0.95, Be = 0.05
5 0.6189 0.6189 0.6189 0.0 O = 1.00
6 0.3637 0.3637 0.0997 0.0 O = 1.00
7 0.1347 0.1347 0.6013 0.0 O = 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 0.36 0.36 0.36
3 3 0.7429 0.7429 0.7429
4 4 0.2482 0.5 0.0
5 5 0.6189 0.6189 0.6189
6 6 0.3637 0.3637 0.0997
7 7 0.1347 0.1347 0.6013
8 4 0.5 0.2482 0.0
9 2 0.36 0.64 0.64
10 2 0.64 0.64 0.36
11 2 0.64 0.36 0.64
12 3 0.7429 0.2571 0.2571
13 3 0.2571 0.2571 0.7429
14 3 0.2571 0.7429 0.2571
15 4 0.5 0.7518 0.0
16 4 0.7518 0.5 0.0
17 5 0.6189 0.3811 0.3811
18 5 0.3811 0.3811 0.6189
19 5 0.3811 0.6189 0.3811
20 6 0.3637 0.6363 0.9003
21 6 0.6363 0.6363 0.0997
22 6 0.6363 0.3637 0.9003
23 7 0.1347 0.8653 0.3987
24 7 0.8653 0.8653 0.6013
25 7 0.8653 0.1347 0.3987
26 4 0.5 0.0 0.2482
27 4 0.0 0.2482 0.5
28 6 0.3637 0.0997 0.3637
29 6 0.0997 0.3637 0.3637
30 7 0.1347 0.6013 0.1347
31 7 0.6013 0.1347 0.1347
32 4 0.2482 0.0 0.5
33 4 0.0 0.5 0.2482
34 4 0.7518 0.0 0.5
35 4 0.0 0.5 0.7518
36 4 0.5 0.0 0.7518
37 4 0.0 0.7518 0.5
38 6 0.6363 0.9003 0.3637
39 6 0.9003 0.3637 0.6363
40 6 0.6363 0.0997 0.6363
41 6 0.0997 0.6363 0.6363
42 6 0.3637 0.9003 0.6363
43 6 0.9003 0.6363 0.3637
44 7 0.8653 0.3987 0.1347
45 7 0.3987 0.1347 0.8653
46 7 0.8653 0.6013 0.8653
47 7 0.6013 0.8653 0.8653
48 7 0.1347 0.3987 0.8653
49 7 0.3987 0.8653 0.1347
X-ray density (g/cm cub.) = 3.35
MU (1/cm) = 123.482 Mass attenuation coefficient (cm**2/g) = 36.85
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K ,Cs ,Rb ,Na 3.612 12
3.2336 7
3.2336 7
3.2336 7
3.2336 7
3.2336 7
3.2336 7
3.2336 7
3.2336 7
3.2336 7
3.2336 7
3.2336 7
3.2336 7
2 Al 2.316 6
1.9053 6
1.9072 5
1.9072 5
1.9072 5
1.9053 6
1.9053 6
3 Be 2.04 4
1.5717 5
1.6366 7
1.6366 7
1.6366 7
4 B ,Be 2.04 4
1.4972 6
1.4972 6
1.487 7
1.487 7
5 O 3.264 12
2.461 5
2.461 5
2.461 5
2.7829 6
2.7829 6
2.5533 7
2.7829 6
2.7829 6
2.7829 6
2.7829 6
2.5533 7
2.5533 7
6 O 3.264 11
2.7829 5
2.7829 5
2.4716 6
2.8212 6
2.4716 6
2.7322 6
2.7322 6
2.4284 7
2.4284 7
2.4117 7
2.4117 7
7 O 3.264 10
2.5533 5
2.4668 7
2.7881 7
2.4668 7
2.4284 6
2.4284 6
2.4117 6
2.4117 6
2.7322 7
2.7322 7
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 1 0 0 6.042 12.084 0.068 177.55 6 24.4 411.8
2 1 1 0 8.561 17.121 0.097 87.32 12 9.5 61.8
3 1 1 1 10.504 21.009 0.118 57.26 8 3.8 4.2
4 2 0 0 12.153 24.305 0.137 42.25 6 26.2 113.1
5 2 1 0 13.613 27.226 0.153 33.26 24 29.4 450.2
6 1 1 2 14.941 29.883 0.167 27.27 24 56.2 1347.8
7 2 2 0 17.32 34.641 0.193 19.82 12 20.2 63.0
8 2 2 1 18.408 36.815 0.205 17.34 24 25.9 182.0
9 3 0 0 18.408 36.815 0.205 17.34 6 72.3 354.0
10 3 1 0 19.442 38.884 0.216 15.37 24 2.7 1.8
11 1 1 3 20.432 40.865 0.227 13.76 24 43.9 415.1
12 2 2 2 21.385 42.769 0.237 12.43 8 101.2 662.7
13 3 2 0 22.304 44.607 0.246 11.31 24 16.0 45.5
14 3 2 1 23.194 46.387 0.256 10.35 48 35.5 407.4
15 4 0 0 24.9 49.8 0.273 8.81 6 95.1 311.1
16 2 2 3 25.721 51.442 0.282 8.18 24 22.4 64.1
17 4 1 0 25.721 51.442 0.282 8.18 24 52.4 351.1
18 1 1 4 26.524 53.048 0.29 7.63 24 29.8 105.6
19 3 3 0 26.524 53.048 0.29 7.63 12 50.0 149.1
20 3 3 1 27.31 54.621 0.298 7.14 24 8.5 8.0
21 4 2 0 28.082 56.163 0.306 6.7 24 23.6 58.3
22 4 2 1 28.839 57.679 0.313 6.31 48 20.7 84.5
23 3 3 2 29.584 59.169 0.32 5.96 24 37.5 131.0
24 2 2 4 31.041 62.083 0.335 5.35 24 24.4 49.8
25 4 3 0 31.755 63.51 0.342 5.09 24 14.7 17.2
26 5 0 0 31.755 63.51 0.342 5.09 6 38.0 28.8
27 4 3 1 32.46 64.92 0.348 4.85 48 30.5 141.2
28 5 1 0 32.46 64.92 0.348 4.85 24 17.6 23.6
29 1 1 5 33.157 66.314 0.355 4.64 24 34.7 87.1
30 3 3 3 33.157 66.314 0.355 4.64 8 43.2 45.2
31 4 3 2 34.53 69.059 0.368 4.26 48 22.1 65.0
32 5 2 0 34.53 69.059 0.368 4.26 24 19.3 24.8
33 5 2 1 35.206 70.413 0.374 4.1 48 23.8 72.6
34 4 4 0 36.543 73.087 0.387 3.81 12 144.9 624.3
35 2 2 5 37.205 74.409 0.392 3.68 24 24.7 35.2
36 4 4 1 37.205 74.409 0.392 3.68 24 7.4 3.1
37 3 3 4 37.862 75.723 0.398 3.57 24 20.3 23.1
38 5 3 0 37.862 75.723 0.398 3.57 24 9.6 5.1
39 5 3 1 38.515 77.03 0.404 3.46 48 7.3 5.8
40 4 4 2 39.165 78.329 0.41 3.37 24 18.5 17.9
41 6 0 0 39.165 78.329 0.41 3.37 6 29.4 11.3
42 6 1 0 39.811 79.623 0.416 3.28 24 10.4 5.5
43 1 1 6 40.455 80.911 0.421 3.2 24 23.4 27.4
44 5 3 2 40.455 80.911 0.421 3.2 48 32.1 103.1
45 6 2 0 41.737 83.474 0.432 3.06 24 16.9 13.6
46 4 4 3 42.375 84.75 0.437 3.0 24 43.9 90.4
47 5 4 0 42.375 84.75 0.437 3.0 24 0.0 0.0
48 6 2 1 42.375 84.75 0.437 3.0 48 20.3 38.9
49 5 4 1 43.012 86.024 0.443 2.95 48 20.9 40.5
50 3 3 5 43.648 87.296 0.448 2.91 24 27.1 33.3
51 2 2 6 44.283 88.566 0.453 2.87 24 40.0 71.8
52 5 4 2 44.918 89.836 0.458 2.83 48 20.7 37.9
53 6 3 0 44.918 89.836 0.458 2.83 24 25.6 29.1
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 1 0 0 6.042 12.084 7.318 411.8 30.6 30.9 5.6
2 1 1 0 8.561 17.121 5.17461 61.8 4.6 4.6 5.6
3 2 0 0 12.153 24.305 3.659 113.1 8.4 8.4 5.6
4 2 1 0 13.613 27.226 3.27271 450.2 33.4 33.5 5.6
5 1 1 2 14.941 29.883 2.98756 1347.8 100.0 100.0 5.6
6 2 2 0 17.32 34.641 2.5873 63.0 4.7 4.7 5.7
7 3 0 0 18.408 36.815 2.43933 536.0 39.8 39.5 5.7
8 1 1 3 20.432 40.865 2.20646 415.1 30.8 30.5 5.7
9 2 2 2 21.385 42.769 2.11252 662.7 49.2 48.6 5.7
10 3 2 0 22.304 44.607 2.02965 45.5 3.4 3.3 5.7
11 3 2 1 23.194 46.387 1.95582 407.4 30.2 29.7 5.7
12 4 0 0 24.9 49.8 1.8295 311.1 23.1 22.6 5.7
13 4 1 0 25.721 51.442 1.77488 415.2 30.8 30.1 5.8
14 3 3 0 26.524 53.048 1.72487 254.7 18.9 18.4 5.8
15 4 2 0 28.082 56.163 1.63635 58.3 4.3 4.2 5.8
16 4 2 1 28.839 57.679 1.59692 84.5 6.3 6.1 5.8
17 3 3 2 29.584 59.169 1.5602 131.0 9.7 9.4 5.8
18 2 2 4 31.041 62.083 1.49378 49.8 3.7 3.6 5.8
19 5 0 0 31.755 63.51 1.4636 46.0 3.4 3.3 5.9
20 4 3 1 32.46 64.92 1.43518 164.8 12.2 11.7 5.9
21 1 1 5 33.157 66.314 1.40835 132.2 9.8 9.4 5.9
22 4 3 2 34.53 69.059 1.35892 89.8 6.7 6.3 5.9
23 5 2 1 35.206 70.413 1.33608 72.6 5.4 5.1 5.9
24 4 4 0 36.543 73.087 1.29365 624.3 46.3 43.8 6.0
25 2 2 5 37.205 74.409 1.2739 38.3 2.8 2.7 6.0
26 3 3 4 37.862 75.723 1.25503 28.2 2.1 2.0 6.0
27 4 4 2 39.165 78.329 1.21967 29.3 2.2 2.0 6.0
28 5 3 2 40.455 80.911 1.18714 130.5 9.7 9.0 6.1
29 6 2 0 41.737 83.474 1.15708 13.6 1.0 0.9 6.1
30 4 4 3 42.375 84.75 1.14288 129.3 9.6 8.8 6.1
31 5 4 1 43.012 86.024 1.12919 40.5 3.0 2.8 6.1
32 3 3 5 43.648 87.296 1.11598 33.3 2.5 2.3 6.2
33 2 2 6 44.283 88.566 1.10323 71.8 5.3 4.9 6.2
34 5 4 2 44.918 89.836 1.0909 67.0 5.0 4.5 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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