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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SWEDENBORGITE
2, t-swedenborgite
[Na(0.89)Ca(0.04)]Be(4)SbO(7)
Hexagonal P 6(3)mc Z = 2
R =0.012 NR =290
11 .7 .1902
Ref.Str.:
D.M.C. Huminicki, F.C. Hawthorne (2001)
* Canad. Mineral., 39, 153-158
Reserv:
There are U(ij) in the article. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.4317 alpha = 90.0
b = 5.4317 beta = 90.0
c = 8.8517 gamma = 120.0
Unit cell volume (cub. angs.) = 226.17
Molar volume ( cub.cm/mol.) = 68.11
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.0 0.0 Sb = 1.00
2 0.3333 0.6667 0.6245 0.0 Na = 1.00
3 0.0 0.0 0.0629 0.0 Be = 1.00
4 0.1664 0.8336 0.3126 0.0 Be = 1.00
5 0.0 0.0 0.3728 0.0 O = 1.00
6 0.4961 0.5039 0.3706 0.0 O = 1.00
7 0.1616 0.8384 0.1269 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.0
2 2 0.3333 0.6667 0.6245
3 3 0.0 0.0 0.0629
4 4 0.1664 0.8336 0.3126
5 5 0.0 0.0 0.3728
6 6 0.4961 0.5039 0.3706
7 7 0.1616 0.8384 0.1269
8 4 0.1664 0.3328 0.3126
9 4 0.6672 0.8336 0.3126
10 6 0.4961 0.9922 0.3706
11 6 0.0078 0.5039 0.3706
12 7 0.1616 0.3232 0.1269
13 7 0.6768 0.8384 0.1269
14 1 0.6667 0.3333 0.5
15 2 0.6667 0.3333 0.1245
16 3 0.0 0.0 0.5629
17 4 0.8336 0.1664 0.8126
18 5 0.0 0.0 0.8728
19 6 0.5039 0.4961 0.8706
20 7 0.8384 0.1616 0.6269
21 4 0.8336 0.6672 0.8126
22 4 0.3328 0.1664 0.8126
23 6 0.5039 0.0078 0.8706
24 6 0.9922 0.4961 0.8706
25 7 0.8384 0.6768 0.6269
26 7 0.3232 0.1616 0.6269
X-ray density (g/cm cub.) = 4.3
MU (1/cm) = 512.407 Mass attenuation coefficient (cm**2/g) = 119.224
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Sb 2.712 6
1.9675 7
1.9679 7
1.9679 7
1.9718 6
1.9715 6
1.9715 6
2 Na 2.808 12
2.7197 6
2.7194 6
2.7194 6
2.7058 6
2.7164 7
2.7164 7
2.7056 6
2.7056 6
2.7166 7
2.7161 7
2.7161 7
2.7166 7
3 Be 2.04 4
1.6224 7
1.6224 7
1.6224 7
1.6827 5
4 Be 2.04 4
1.6537 5
1.6444 7
1.634 6
1.634 6
5 O 3.264 12
2.7162 6
2.7162 6
2.655 7
2.7162 6
2.7161 6
2.7161 6
2.7162 6
2.655 7
2.655 7
2.7148 7
2.7148 7
2.7148 7
6 O 3.264 10
2.7162 5
2.7162 5
2.6522 6
2.7795 6
2.7795 6
2.6522 6
2.6711 7
2.6711 7
2.782 7
2.782 7
7 O 3.264 10
2.655 5
2.6711 6
2.6711 6
2.6332 7
2.7985 7
2.7985 7
2.6332 7
2.7148 5
2.782 6
2.782 6
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 9.425 18.849 0.106 71.66 6 38.6 1254.0
2 0 0 2 10.023 20.046 0.113 63.11 2 80.6 1604.4
3 1 0 1 10.687 21.373 0.12 55.26 12 72.5 6822.2
4 1 0 2 13.825 27.651 0.155 32.18 12 41.7 1313.6
5 1 1 0 16.477 32.953 0.184 22.09 6 89.1 2055.9
6 1 0 3 17.949 35.898 0.2 18.33 12 78.5 2648.7
7 2 0 0 19.117 38.234 0.213 15.96 6 23.0 99.3
8 1 1 2 19.437 38.873 0.216 15.38 12 86.6 2704.3
9 2 0 1 19.808 39.615 0.22 14.75 12 58.2 1171.6
10 0 0 4 20.37 40.74 0.226 13.86 2 21.2 24.3
11 2 0 2 21.769 43.539 0.241 11.94 12 65.4 1197.0
12 1 0 4 22.624 45.247 0.25 10.95 12 36.4 341.1
13 2 0 3 24.76 49.52 0.272 8.92 12 84.1 1481.8
14 2 1 0 25.674 51.347 0.281 8.22 12 35.9 247.9
15 2 1 1 26.225 52.45 0.287 7.83 24 59.4 1294.3
16 1 1 4 26.68 53.359 0.291 7.53 12 65.4 755.5
17 1 0 5 27.704 55.407 0.302 6.91 12 63.0 644.5
18 2 1 2 27.833 55.666 0.303 6.84 24 33.9 369.4
19 2 0 4 28.55 57.101 0.31 6.45 12 47.8 346.5
20 3 0 0 29.423 58.846 0.319 6.03 6 74.2 389.5
21 3 0 1 29.927 59.854 0.324 5.8 12 3.8 2.0
22 2 1 3 30.386 60.771 0.328 5.61 24 62.9 1041.7
23 3 0 2 31.411 62.821 0.338 5.21 12 72.5 643.0
24 0 0 6 31.475 62.95 0.339 5.19 2 77.5 122.0
25 2 0 5 32.996 65.992 0.353 4.69 12 87.4 840.6
26 1 0 6 33.175 66.35 0.355 4.63 12 34.0 125.6
27 2 1 4 33.763 67.525 0.361 4.46 24 28.5 169.7
28 3 0 3 33.801 67.602 0.361 4.45 12 3.1 1.0
29 2 2 0 34.559 69.117 0.368 4.25 6 135.2 911.4
30 3 1 0 36.186 72.372 0.383 3.88 12 28.6 74.2
31 2 2 2 36.395 72.79 0.385 3.84 12 56.4 286.8
32 1 1 6 36.455 72.909 0.386 3.83 12 56.8 289.3
33 3 1 1 36.64 73.281 0.387 3.79 24 48.8 422.6
34 3 0 4 37.018 74.037 0.391 3.72 12 56.8 281.0
35 2 1 5 37.88 75.761 0.399 3.56 24 52.9 467.4
36 3 1 2 37.99 75.981 0.4 3.55 24 29.5 145.0
37 2 0 6 38.049 76.098 0.4 3.54 12 55.2 252.7
38 1 0 7 39.107 78.214 0.409 3.37 12 50.2 199.2
39 3 1 3 40.207 80.414 0.419 3.23 24 57.7 504.4
40 4 0 0 40.92 81.84 0.425 3.15 6 22.0 17.8
41 3 0 5 41.013 82.026 0.426 3.14 12 3.0 0.7
42 4 0 1 41.358 82.715 0.429 3.1 12 44.2 142.3
43 2 2 4 41.723 83.446 0.432 3.06 12 16.1 18.7
44 4 0 2 42.666 85.333 0.44 2.98 12 38.7 104.6
45 2 1 6 42.724 85.447 0.44 2.98 24 30.5 130.3
46 3 1 4 43.265 86.531 0.445 2.93 24 27.3 102.7
47 2 0 7 43.757 87.514 0.449 2.9 12 31.1 65.7
48 0 0 8 44.12 88.24 0.452 2.88 2 92.1 95.5
49 4 0 3 44.838 89.677 0.458 2.84 12 59.0 232.0
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 9.425 18.849 4.70399 1254.0 18.4 18.4 5.6
2 0 0 2 10.023 20.046 4.42585 1604.4 23.5 23.5 5.6
3 1 0 1 10.687 21.373 4.15387 6822.2 100.0 100.0 5.6
4 1 0 2 13.825 27.651 3.22339 1313.6 19.3 19.2 5.6
5 1 1 0 16.477 32.953 2.71585 2055.9 30.1 29.9 5.6
6 1 0 3 17.949 35.898 2.49955 2648.7 38.8 38.4 5.7
7 2 0 0 19.117 38.234 2.352 99.3 1.5 1.4 5.7
8 1 1 2 19.437 38.873 2.31478 2704.3 39.6 39.1 5.7
9 2 0 1 19.808 39.615 2.27312 1171.6 17.2 16.9 5.7
10 2 0 2 21.769 43.539 2.07694 1197.0 17.5 17.2 5.7
11 1 0 4 22.624 45.247 2.00241 341.1 5.0 4.9 5.7
12 2 0 3 24.76 49.52 1.83917 1481.8 21.7 21.2 5.7
13 2 1 0 25.674 51.347 1.77794 247.9 3.6 3.5 5.8
14 2 1 1 26.225 52.45 1.74313 1294.3 19.0 18.4 5.8
15 1 1 4 26.68 53.359 1.71553 755.5 11.1 10.7 5.8
16 1 0 5 27.704 55.407 1.65689 644.5 9.4 9.1 5.8
17 2 1 2 27.833 55.666 1.6498 369.4 5.4 5.2 5.8
18 2 0 4 28.55 57.101 1.6117 346.5 5.1 4.9 5.8
19 3 0 0 29.423 58.846 1.568 389.5 5.7 5.5 5.8
20 2 1 3 30.386 60.771 1.52284 1041.7 15.3 14.7 5.8
21 3 0 2 31.411 62.821 1.47798 643.0 9.4 9.0 5.9
22 0 0 6 31.475 62.95 1.47528 122.0 1.8 1.7 5.9
23 2 0 5 32.996 65.992 1.41444 840.6 12.3 11.7 5.9
24 1 0 6 33.175 66.35 1.40768 125.6 1.8 1.8 5.9
25 2 1 4 33.763 67.525 1.38601 169.7 2.5 2.4 5.9
26 2 2 0 34.559 69.117 1.35793 911.4 13.4 12.6 5.9
27 3 1 0 36.186 72.372 1.30465 74.2 1.1 1.0 5.9
28 2 2 2 36.395 72.79 1.2982 286.8 4.2 4.0 6.0
29 1 1 6 36.455 72.909 1.29636 289.3 4.2 4.0 6.0
30 3 1 1 36.64 73.281 1.29071 422.6 6.2 5.8 6.0
31 3 0 4 37.018 74.037 1.27939 281.0 4.1 3.9 6.0
32 2 1 5 37.88 75.761 1.2545 467.4 6.9 6.4 6.0
33 3 1 2 37.99 75.981 1.25141 145.0 2.1 2.0 6.0
34 2 0 6 38.049 76.098 1.24977 252.7 3.7 3.5 6.0
35 1 0 7 39.107 78.214 1.22117 199.2 2.9 2.7 6.0
36 3 1 3 40.207 80.414 1.19321 504.4 7.4 6.8 6.0
37 4 0 1 41.358 82.715 1.16575 142.3 2.1 1.9 6.1
38 4 0 2 42.666 85.333 1.13656 104.6 1.5 1.4 6.1
39 2 1 6 42.724 85.447 1.13533 130.3 1.9 1.7 6.1
40 3 1 4 43.265 86.531 1.12387 102.7 1.5 1.4 6.1
41 0 0 8 44.12 88.24 1.10646 95.5 1.4 1.3 6.2
42 4 0 3 44.838 89.677 1.09243 232.0 3.4 3.1 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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