Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
ARSENOLAMPRITE
1, f-arsenic
As
Orthorhombic B mab Z = 8
R =0.19 NR =40
30 .4 .1992
Ref.Str.:
Smith P.M., Leadbetter A.J., Apling A.J. (1975)
* Phil. Mag., 31, 57-64
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.65 alpha = 90.0
b = 4.47 beta = 90.0
c = 11.0 gamma = 90.0
Unit cell volume (cub. angs.) = 179.47
Molar volume ( cub.cm/mol.) = 13.51
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.06 0.11 0.0 As = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.06 0.11
2 1 0.0 0.94 0.89
3 1 0.5 0.44 0.11
4 1 0.5 0.56 0.89
5 1 0.0 0.44 0.61
6 1 0.0 0.56 0.39
7 1 0.5 0.06 0.61
8 1 0.5 0.94 0.39
X-ray density (g/cm cub.) = 5.54
MU (1/cm) = 462.36 Mass attenuation coefficient (cm**2/g) = 83.4
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 As 4.584 19
3.65 1
4.47 1
4.47 1
3.65 1
4.4121 1
2.4787 1
4.4121 1
2.4932 1
3.3183 1
2.4932 1
3.3183 1
3.7659 1
3.7659 1
3.7659 1
3.7659 1
3.8055 1
3.8055 1
3.62 1
3.62 1
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 2 8.051 16.102 0.091 99.02 2 44.8 1232.9
2 0 1 2 12.83 25.66 0.144 37.7 4 79.7 2977.1
3 0 0 4 16.266 32.533 0.182 22.71 2 193.1 5257.3
4 1 1 1 16.338 32.677 0.183 22.5 8 148.6 12335.4
5 0 1 4 19.2 38.4 0.213 15.8 4 26.8 140.9
6 1 1 3 20.123 40.246 0.223 14.24 8 87.2 2691.4
7 0 2 0 20.16 40.32 0.224 14.18 2 141.9 1772.8
8 0 2 2 21.84 43.68 0.241 11.86 4 25.9 98.7
9 1 2 1 24.214 48.428 0.266 9.39 8 79.8 1483.1
10 0 0 6 24.844 49.688 0.273 8.86 2 97.0 517.5
11 2 0 0 24.965 49.931 0.274 8.76 2 180.7 1776.1
12 1 1 5 26.337 52.673 0.288 7.75 8 156.6 4721.9
13 0 2 4 26.367 52.733 0.288 7.73 4 120.0 1382.2
14 2 0 2 26.404 52.808 0.289 7.71 4 33.1 105.2
15 0 1 6 27.008 54.016 0.295 7.32 4 54.5 270.0
16 1 2 3 27.095 54.19 0.296 7.27 8 105.0 1992.1
17 2 1 2 28.484 56.969 0.31 6.49 8 62.1 620.5
18 2 0 4 30.435 60.87 0.329 5.59 4 155.1 1670.5
19 1 2 5 32.324 64.647 0.347 4.9 8 34.3 143.5
20 2 1 4 32.348 64.697 0.347 4.89 8 22.0 58.8
21 0 3 2 32.385 64.769 0.348 4.88 4 144.2 1259.6
22 0 2 6 32.917 65.834 0.353 4.71 4 62.9 231.4
23 2 2 0 33.018 66.037 0.354 4.68 4 117.2 798.3
24 0 0 8 34.07 68.14 0.364 4.38 2 115.5 362.7
25 1 1 7 34.112 68.223 0.364 4.37 8 18.4 36.9
26 2 2 2 34.237 68.474 0.365 4.34 8 21.6 50.2
27 1 3 1 34.247 68.493 0.365 4.33 8 51.8 289.3
28 0 1 8 35.881 71.763 0.38 3.94 4 38.9 74.2
29 0 3 4 36.013 72.026 0.382 3.92 4 51.3 128.2
30 2 0 6 36.551 73.103 0.387 3.81 4 82.0 317.7
31 1 3 3 36.626 73.252 0.387 3.79 8 31.4 92.6
32 2 2 4 37.784 75.568 0.398 3.58 8 102.0 924.4
33 2 1 6 38.314 76.628 0.402 3.49 8 46.4 186.9
34 1 2 7 39.441 78.883 0.412 3.33 8 99.9 824.5
35 0 2 8 41.127 82.254 0.427 3.12 4 76.4 226.5
36 1 3 5 41.229 82.459 0.428 3.11 8 58.1 261.4
37 3 1 1 41.29 82.579 0.428 3.11 8 102.8 815.2
38 0 3 6 41.772 83.544 0.432 3.06 4 108.9 450.6
39 2 3 2 42.994 85.987 0.443 2.95 8 124.7 1140.6
40 1 1 9 43.362 86.723 0.446 2.93 8 129.5 1220.0
41 2 2 6 43.478 86.956 0.447 2.92 8 54.4 214.9
42 3 1 3 43.547 87.094 0.447 2.91 8 62.4 281.6
43 0 4 0 43.574 87.148 0.447 2.91 2 8.7 1.4
44 0 0 10 44.447 88.895 0.455 2.86 2 111.4 220.1
45 2 0 8 44.54 89.08 0.455 2.85 4 100.2 355.9
46 0 4 2 44.698 89.396 0.457 2.84 4 1.6 0.1
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 0 0 2 8.051 16.102 5.5 1232.9 10.0 10.1 5.6
2 0 1 2 12.83 25.66 3.46884 2977.1 24.1 24.3 5.6
3 0 0 4 16.266 32.533 2.75 5257.3 42.6 42.6 5.6
4 1 1 1 16.338 32.677 2.7382 12335.4 100.0 100.0 5.6
5 0 1 4 19.2 38.4 2.34224 140.9 1.1 1.1 5.7
6 1 1 3 20.123 40.246 2.23893 2691.4 21.8 21.7 5.7
7 0 2 0 20.16 40.32 2.235 1772.8 14.4 14.3 5.7
8 1 2 1 24.214 48.428 1.87807 1483.1 12.0 11.8 5.7
9 0 0 6 24.844 49.688 1.83333 517.5 4.2 4.1 5.7
10 2 0 0 24.965 49.931 1.825 1776.1 14.4 14.1 5.7
11 1 1 5 26.337 52.673 1.73626 4721.9 38.3 37.5 5.8
12 0 2 4 26.367 52.733 1.73442 1382.2 11.2 11.0 5.8
13 0 1 6 27.008 54.016 1.69621 270.0 2.2 2.1 5.8
14 1 2 3 27.095 54.19 1.6912 1992.1 16.1 15.8 5.8
15 2 1 2 28.484 56.969 1.61511 620.5 5.0 4.9 5.8
16 2 0 4 30.435 60.87 1.52062 1670.5 13.5 13.1 5.8
17 1 2 5 32.324 64.647 1.44058 202.3 1.6 1.6 5.9
18 0 3 2 32.385 64.769 1.43816 1259.6 10.2 9.8 5.9
19 0 2 6 32.917 65.834 1.41746 231.4 1.9 1.8 5.9
20 2 2 0 33.018 66.037 1.4136 798.3 6.5 6.2 5.9
21 0 0 8 34.07 68.14 1.375 362.7 2.9 2.8 5.9
22 1 3 1 34.247 68.493 1.36876 339.4 2.8 2.6 5.9
23 0 3 4 36.013 72.026 1.31006 128.2 1.0 1.0 5.9
24 2 0 6 36.551 73.103 1.29341 317.7 2.6 2.4 6.0
25 2 2 4 37.784 75.568 1.25722 924.4 7.5 7.1 6.0
26 2 1 6 38.314 76.628 1.24244 186.9 1.5 1.4 6.0
27 1 2 7 39.441 78.883 1.21249 824.5 6.7 6.3 6.0
28 0 2 8 41.127 82.254 1.17112 226.5 1.8 1.7 6.1
29 1 3 5 41.229 82.459 1.16873 261.4 2.1 2.0 6.1
30 3 1 1 41.29 82.579 1.16733 815.2 6.6 6.1 6.1
31 0 3 6 41.772 83.544 1.15628 450.6 3.7 3.4 6.1
32 2 3 2 42.994 85.987 1.12958 1140.6 9.2 8.5 6.1
33 1 1 9 43.362 86.723 1.12188 1220.0 9.9 9.1 6.1
34 2 2 6 43.478 86.956 1.11947 214.9 1.7 1.6 6.1
35 3 1 3 43.547 87.094 1.11805 283.0 2.3 2.1 6.1
36 0 0 10 44.447 88.895 1.1 220.1 1.8 1.6 6.2
37 2 0 8 44.54 89.08 1.09819 355.9 2.9 2.6 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)
|