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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MAKINENITE
1, gamma
NiSe
Hexagonal R 3m Z = 9
R3m
9 .2 .1995
Ref.Str.:
Rajamani V., Prewitt C.T. (1974)
* Canad. Mineral., 12, 253-257
Ref.Composition & Lattice:
Povarennyh A.S (1966)
* Kristallohim. klassif. miner. vidov (in russian), 208
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.01 alpha = 90.0
b = 10.01 beta = 90.0
c = 3.28 gamma = 120.0
Unit cell volume (cub. angs.) = 284.62
Molar volume ( cub.cm/mol.) = 19.05
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.9122 0.0878 0.088 0.0 Ni = 1.00
2 0.1124 0.8876 0.6164 0.0 Se = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.9122 0.0878 0.088
2 2 0.1124 0.8876 0.6164
3 1 0.9122 0.8244 0.088
4 1 0.1756 0.0878 0.088
5 2 0.1124 0.2248 0.6164
6 2 0.7752 0.8876 0.6164
7 1 0.5789 0.1577 0.4213
8 1 0.5089 0.7545 0.7547
9 2 0.7791 0.5581 0.9497
10 2 0.1085 0.5543 0.2831
11 1 0.8423 0.4211 0.4213
12 1 0.2455 0.7545 0.7547
13 1 0.5789 0.4211 0.4213
14 1 0.2455 0.491 0.7547
15 2 0.4419 0.2209 0.9497
16 2 0.4457 0.5543 0.2831
17 2 0.7791 0.2209 0.9497
18 2 0.4457 0.8914 0.2831
X-ray density (g/cm cub.) = 7.23
MU (1/cm) = 797.47 Mass attenuation coefficient (cm**2/g) = 110.364
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ni 3.204 5
2.4804 2
2.354 2
2.4804 2
2.354 2
2.3525 2
2 Se 4.632 12
3.28 2
3.28 2
3.3753 2
3.3753 2
3.493 2
3.9734 2
3.9733 2
3.4931 2
3.493 2
3.9734 2
3.9733 2
3.493 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 10.295 20.59 0.1 59.71 6 60.5 1618.1
2 1 0 1 16.952 33.904 0.163 20.77 6 64.4 638.2
3 3 0 0 18.032 36.063 0.173 18.15 6 217.8 6375.8
4 2 0 -1 19.998 39.995 0.191 14.44 6 214.9 4938.4
5 2 2 0 20.942 41.884 0.2 13.03 6 57.7 321.0
6 2 1 1 22.697 45.394 0.216 10.87 12 162.6 4255.9
7 3 1 -1 27.469 54.938 0.258 7.05 12 245.2 6275.0
8 4 1 0 28.218 56.436 0.264 6.63 12 124.7 1526.7
9 4 0 1 29.648 59.297 0.277 5.93 6 222.4 2171.7
10 3 2 1 31.733 63.467 0.294 5.1 12 158.6 1899.3
11 3 3 0 32.421 64.842 0.3 4.87 6 293.6 3107.4
12 1 0 -2 33.716 67.432 0.31 4.48 6 236.4 1852.3
13 2 0 2 35.671 71.343 0.326 3.99 6 73.3 158.6
14 5 0 -1 35.7 71.4 0.326 3.98 6 32.9 31.9
15 2 1 -2 37.583 75.166 0.341 3.61 12 93.8 471.3
16 4 2 -1 37.611 75.221 0.341 3.61 12 60.0 192.8
17 6 0 0 38.249 76.498 0.346 3.5 6 203.2 1071.7
18 5 1 1 39.488 78.977 0.355 3.32 12 94.9 443.3
19 5 2 0 40.118 80.235 0.36 3.24 12 54.0 139.7
20 3 1 2 41.315 82.63 0.369 3.1 12 128.7 761.4
21 4 0 -2 43.154 86.308 0.382 2.94 6 112.8 277.5
22 4 3 1 43.181 86.362 0.383 2.94 12 51.7 116.3
23 3 2 -2 44.985 89.97 0.395 2.83 12 117.4 577.8
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 0 10.295 20.59 5.005 1618.1 25.4 25.7 5.6
2 1 0 1 16.952 33.904 3.06775 638.2 10.0 10.0 5.7
3 3 0 0 18.032 36.063 2.88964 6375.8 100.0 100.0 5.7
4 2 0 1 19.998 39.995 2.61553 4938.4 77.5 77.2 5.7
5 2 2 0 20.942 41.884 2.5025 321.0 5.0 5.0 5.7
6 2 1 1 22.697 45.394 2.31809 4255.9 66.8 66.1 5.7
7 3 1 1 27.469 54.938 1.93914 6275.0 98.4 96.4 5.8
8 4 1 0 28.218 56.436 1.89171 1526.7 23.9 23.4 5.8
9 4 0 1 29.648 59.297 1.80817 2171.7 34.1 33.1 5.8
10 3 2 1 31.733 63.467 1.7006 1899.3 29.8 28.8 5.9
11 3 3 0 32.421 64.842 1.66833 3107.4 48.7 47.0 5.9
12 1 0 2 33.716 67.432 1.61142 1852.3 29.1 27.9 5.9
13 2 0 2 35.671 71.343 1.53388 190.6 3.0 2.9 5.9
14 2 1 2 37.583 75.166 1.46655 664.1 10.4 9.9 6.0
15 6 0 0 38.249 76.498 1.44482 1071.7 16.8 15.9 6.0
16 5 1 1 39.488 78.977 1.40656 443.3 7.0 6.5 6.0
17 5 2 0 40.118 80.235 1.38814 139.7 2.2 2.1 6.0
18 3 1 2 41.315 82.63 1.35483 761.4 11.9 11.1 6.1
19 4 0 2 43.154 86.308 1.30777 393.7 6.2 5.7 6.1
20 3 2 2 44.985 89.97 1.26529 577.8 9.1 8.3 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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