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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ELPASOLITE
4, f-cryolite
K(2)NaAlF(6)
Cubic F m3m Z = 4
Fm3m
2 .7 .18
Ref.Str.:
Sabelli C. (1987)
* Neues Jb. Mineral., Mh. 1987, 481-487
R: Locality - Cetine mine, Tuscany, Italy.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.116 alpha = 90.0
b = 8.116 beta = 90.0
c = 8.116 gamma = 90.0
Unit cell volume (cub. angs.) = 534.6
Molar volume ( cub.cm/mol.) = 80.5
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.25 0.25 0.25 0.0 K = 1.00
2 0.0 0.0 0.0 0.0 Al = 1.00
3 0.5 0.5 0.5 0.0 Na = 1.00
4 0.2225 0.0 0.0 0.0 F = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.25 0.25
2 2 0.0 0.0 0.0
3 3 0.5 0.5 0.5
4 4 0.2225 0.0 0.0
5 1 0.75 0.75 0.75
6 4 0.7775 0.0 0.0
7 1 0.75 0.25 0.25
8 1 0.75 0.75 0.25
9 1 0.25 0.75 0.25
10 4 0.0 0.2225 0.0
11 4 0.0 0.7775 0.0
12 1 0.25 0.75 0.75
13 1 0.25 0.25 0.75
14 1 0.75 0.25 0.75
15 2 0.5 0.0 0.5
16 2 0.5 0.5 0.0
17 2 0.0 0.5 0.5
18 3 0.0 0.5 0.0
19 3 0.0 0.0 0.5
20 3 0.5 0.0 0.0
21 4 0.5 0.2225 0.5
22 4 0.2775 0.5 0.0
23 4 0.0 0.2775 0.5
24 4 0.5 0.7775 0.5
25 4 0.7225 0.5 0.0
26 4 0.0 0.7225 0.5
27 4 0.2775 0.0 0.5
28 4 0.5 0.2775 0.0
29 4 0.2225 0.5 0.5
30 4 0.7225 0.0 0.5
31 4 0.5 0.7225 0.0
32 4 0.7775 0.5 0.5
33 4 0.0 0.0 0.2225
34 4 0.0 0.0 0.7775
35 4 0.5 0.5 0.2225
36 4 0.5 0.0 0.2775
37 4 0.5 0.5 0.7775
38 4 0.5 0.0 0.7225
39 4 0.0 0.5 0.2775
40 4 0.0 0.5 0.7225
X-ray density (g/cm cub.) = 3.01
MU (1/cm) = 186.988 Mass attenuation coefficient (cm**2/g) = 62.17
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K 3.192 12
2.8781 4
2.8781 4
2.8781 4
2.8781 4
2.8781 4
2.8781 4
2.8781 4
2.8781 4
2.8781 4
2.8781 4
2.8781 4
2.8781 4
2 Al 2.28 6
1.8058 4
1.8058 4
1.8058 4
1.8058 4
1.8058 4
1.8058 4
3 Na 2.772 6
2.2522 4
2.2522 4
2.2522 4
2.2522 4
2.2522 4
2.2522 4
4 F 3.192 8
2.5538 4
2.5538 4
3.1851 4
3.1851 4
2.5538 4
2.5538 4
3.1851 4
3.1851 4
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 1 1 9.462 18.923 0.107 71.09 8 40.1 320.7
2 2 0 0 10.942 21.884 0.123 52.61 6 18.3 37.0
3 2 2 0 15.572 31.143 0.174 24.96 12 142.8 2137.4
4 1 1 3 18.347 36.695 0.204 17.47 24 4.5 3.0
5 2 2 2 19.194 38.389 0.213 15.81 8 187.8 1561.8
6 4 0 0 22.311 44.622 0.246 11.3 6 301.0 2149.5
7 3 3 1 24.437 48.875 0.269 9.19 24 32.9 83.7
8 4 2 0 25.116 50.231 0.276 8.64 24 3.6 1.0
9 2 2 4 27.707 55.415 0.302 6.91 24 105.7 648.2
10 1 1 5 29.549 59.097 0.32 5.97 24 47.2 112.0
11 3 3 3 29.549 59.097 0.32 5.97 8 52.9 46.9
12 4 4 0 32.472 64.944 0.349 4.85 12 228.7 1065.0
13 5 3 1 34.159 68.318 0.364 4.36 48 20.0 29.1
14 4 4 2 34.712 69.424 0.37 4.21 24 6.3 1.4
15 6 0 0 34.712 69.424 0.37 4.21 6 23.5 4.9
16 6 2 0 36.888 73.776 0.39 3.74 24 114.2 410.0
17 3 3 5 38.489 76.977 0.404 3.47 24 1.5 0.1
18 2 2 6 39.017 78.034 0.409 3.39 24 96.9 267.0
19 4 4 4 41.113 82.226 0.427 3.13 8 186.5 304.5
20 1 1 7 42.671 85.342 0.44 2.98 24 10.5 2.7
21 5 5 1 42.671 85.342 0.44 2.98 24 52.3 68.5
22 6 4 0 43.188 86.376 0.444 2.94 24 9.4 2.2
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 1 1 1 9.462 18.923 4.68577 320.7 14.9 15.3 5.6
2 2 0 0 10.942 21.884 4.058 37.0 1.7 1.8 5.6
3 2 2 0 15.572 31.143 2.86944 2137.4 99.4 100.7 5.6
4 2 2 2 19.194 38.389 2.34289 1561.8 72.7 73.1 5.7
5 4 0 0 22.311 44.622 2.029 2149.5 100.0 100.0 5.7
6 3 3 1 24.437 48.875 1.86194 83.7 3.9 3.9 5.7
7 2 2 4 27.707 55.415 1.65667 648.2 30.2 29.8 5.8
8 1 1 5 29.549 59.097 1.56192 158.8 7.4 7.3 5.8
9 4 4 0 32.472 64.944 1.43472 1065.0 49.5 48.2 5.9
10 5 3 1 34.159 68.318 1.37185 29.1 1.4 1.3 5.9
11 6 2 0 36.888 73.776 1.28325 410.0 19.1 18.3 6.0
12 2 2 6 39.017 78.034 1.22353 267.0 12.4 11.8 6.0
13 4 4 4 41.113 82.226 1.17144 304.5 14.2 13.3 6.1
14 5 5 1 42.671 85.342 1.13647 71.3 3.3 3.1 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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