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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DIENERITE
2, t-domeykite, f-maucherite
Ni(3)As
Cubic I 4(-)3d Z = 16
I4(-)3d
11 .10 .24
Ref.Str.:
Bonazzi, Paola, Bindi, Luca (2021)
Canad. Mineral., 59(6), 1887-1898 doi:10.3749/canmin.2100012
R: Locality - Josephine Creek placers, Josephine Creek Mining District,
Josephine County, Oregon, USA.
The coordinates of atoms are from domeykite. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.6206 alpha = 90.0
b = 9.6206 beta = 90.0
c = 9.6206 gamma = 90.0
Unit cell volume (cub. angs.) = 890.44
Molar volume ( cub.cm/mol.) = 33.52
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.9707 0.1202 0.1876 0.0 Ni = 1.00
2 0.9702 0.9702 0.9702 0.0 As = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.9707 0.1202 0.1876
2 2 0.9702 0.9702 0.9702
3 1 0.5293 0.8798 0.6876
4 2 0.5298 0.0298 0.4702
5 1 0.0293 0.6202 0.3124
6 2 0.0298 0.4702 0.5298
7 1 0.4707 0.3798 0.8124
8 2 0.4702 0.5298 0.0298
9 1 0.0293 0.3798 0.1876
10 2 0.0298 0.5298 0.9702
11 1 0.4707 0.6202 0.6876
12 2 0.4702 0.4702 0.4702
13 1 0.9707 0.8798 0.3124
14 2 0.9702 0.0298 0.5298
15 1 0.5293 0.1202 0.8124
16 2 0.5298 0.9702 0.0298
17 1 0.3702 0.2207 0.4376
18 2 0.2202 0.2202 0.2202
19 1 0.1298 0.7793 0.9376
20 2 0.2798 0.7798 0.7202
21 1 0.8702 0.2793 0.5624
22 2 0.7202 0.2798 0.7798
23 1 0.6298 0.7207 0.0624
24 2 0.7798 0.7202 0.2798
25 1 0.6298 0.2793 0.4376
26 2 0.7798 0.2798 0.2202
27 1 0.8702 0.7207 0.9376
28 2 0.7202 0.7202 0.7202
29 1 0.1298 0.2207 0.5624
30 2 0.2798 0.2202 0.7798
31 1 0.3702 0.7793 0.0624
32 2 0.2202 0.7798 0.2798
33 1 0.1202 0.1876 0.9707
34 1 0.1876 0.9707 0.1202
35 1 0.8798 0.6876 0.5293
36 1 0.6876 0.5293 0.8798
37 1 0.6202 0.3124 0.0293
38 1 0.3124 0.0293 0.6202
39 1 0.3798 0.8124 0.4707
40 1 0.8124 0.4707 0.3798
41 1 0.3798 0.1876 0.0293
42 1 0.1876 0.0293 0.3798
43 1 0.6202 0.6876 0.4707
44 1 0.6876 0.4707 0.6202
45 1 0.8798 0.3124 0.9707
46 1 0.3124 0.9707 0.8798
47 1 0.1202 0.8124 0.5293
48 1 0.8124 0.5293 0.1202
49 1 0.2207 0.4376 0.3702
50 1 0.4376 0.3702 0.2207
51 1 0.7793 0.9376 0.1298
52 1 0.9376 0.1298 0.7793
53 1 0.2793 0.5624 0.8702
54 1 0.5624 0.8702 0.2793
55 1 0.7207 0.0624 0.6298
56 1 0.0624 0.6298 0.7207
57 1 0.2793 0.4376 0.6298
58 1 0.4376 0.6298 0.2793
59 1 0.7207 0.9376 0.8702
60 1 0.9376 0.8702 0.7207
61 1 0.2207 0.5624 0.1298
62 1 0.5624 0.1298 0.2207
63 1 0.7793 0.0624 0.3702
64 1 0.0624 0.3702 0.7793
X-ray density (g/cm cub.) = 7.49
MU (1/cm) = 656.363 Mass attenuation coefficient (cm**2/g) = 87.662
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ni 3.18 3
2.5411 2
2.6049 2
2.4143 2
2 As 4.584 11
4.2755 2
4.2755 2
4.2755 2
4.1658 2
4.244 2
4.244 2
4.244 2
4.244 2
4.1658 2
4.244 2
4.244 2
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 7.555 15.111 0.073 112.73 12 0.0 0.0
2 2 0 0 10.716 21.433 0.104 54.94 6 0.0 0.0
3 1 1 2 13.164 26.328 0.127 35.71 24 123.0 1636.0
4 2 2 0 15.246 30.493 0.147 26.12 12 144.8 829.3
5 3 1 0 17.098 34.196 0.164 20.38 24 187.4 2166.3
6 3 2 1 20.357 40.715 0.194 13.88 48 137.9 1596.5
7 4 0 0 21.832 43.665 0.208 11.87 6 216.4 420.6
8 3 3 0 23.232 46.464 0.22 10.31 12 0.0 0.0
9 4 2 0 24.569 49.138 0.232 9.08 24 369.8 3758.7
10 3 3 2 25.854 51.709 0.244 8.09 24 583.1 8322.6
11 2 2 4 27.095 54.191 0.255 7.27 24 455.6 4565.8
12 4 3 1 28.299 56.598 0.265 6.58 48 202.4 1633.6
13 5 1 0 28.299 56.598 0.265 6.58 24 531.0 5620.0
14 5 2 1 30.613 61.226 0.285 5.52 48 55.6 103.4
15 4 4 0 31.731 63.463 0.294 5.1 12 25.9 5.2
16 5 3 0 32.828 65.657 0.303 4.74 24 62.5 56.1
17 6 0 0 33.907 67.813 0.312 4.42 6 0.0 0.0
18 1 1 6 34.969 69.937 0.32 4.15 24 80.6 81.6
19 5 3 2 34.969 69.937 0.32 4.15 48 138.8 484.0
20 6 2 0 36.016 72.033 0.329 3.92 24 193.0 441.6
21 5 4 1 37.052 74.104 0.337 3.71 48 179.6 724.1
22 6 3 1 39.093 78.185 0.352 3.38 48 84.5 145.9
23 4 4 4 40.101 80.202 0.36 3.24 8 136.0 60.5
24 5 4 3 41.104 82.207 0.367 3.13 48 104.9 208.2
25 5 5 0 41.104 82.207 0.367 3.13 12 0.0 0.0
26 7 1 0 41.104 82.207 0.367 3.13 24 194.2 356.8
27 6 4 0 42.101 84.202 0.375 3.03 24 118.4 128.5
28 3 3 6 43.095 86.19 0.382 2.95 24 99.7 88.7
29 5 5 2 43.095 86.19 0.382 2.95 24 456.4 1857.9
30 7 2 1 43.095 86.19 0.382 2.95 48 132.3 312.4
31 6 4 2 44.087 88.174 0.389 2.88 48 70.2 85.9
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 2 13.164 26.328 3.92759 1636.0 19.7 20.2 5.6
2 2 2 0 15.246 30.493 3.4014 829.3 10.0 10.2 5.6
3 3 1 0 17.098 34.196 3.0423 2166.3 26.0 26.5 5.7
4 3 2 1 20.357 40.715 2.57121 1596.5 19.2 19.4 5.7
5 4 0 0 21.832 43.665 2.40515 420.6 5.1 5.1 5.7
6 4 2 0 24.569 49.138 2.15123 3758.7 45.2 45.3 5.7
7 3 3 2 25.854 51.709 2.05112 8322.6 100.0 100.0 5.8
8 2 2 4 27.095 54.191 1.9638 4565.8 54.9 54.7 5.8
9 5 1 0 28.299 56.598 1.88675 7253.6 87.2 86.6 5.8
10 5 2 1 30.613 61.226 1.75647 103.4 1.2 1.2 5.8
11 5 3 2 34.969 69.937 1.56067 565.5 6.8 6.6 5.9
12 6 2 0 36.016 72.033 1.52115 441.6 5.3 5.1 5.9
13 5 4 1 37.052 74.104 1.48449 724.1 8.7 8.4 6.0
14 6 3 1 39.093 78.185 1.41848 145.9 1.8 1.7 6.0
15 7 1 0 41.104 82.207 1.36056 565.0 6.8 6.4 6.1
16 6 4 0 42.101 84.202 1.33414 128.5 1.5 1.5 6.1
17 7 2 1 43.095 86.19 1.3092 2259.0 27.1 25.5 6.1
18 6 4 2 44.087 88.174 1.28561 85.9 1.0 1.0 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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