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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BRUCITE
2, t-brucite, f-brucite
Mg(OH)(2)
Hexagonal P 3(-)m1 Z = 1
P3(-)m1
12 .4 .1901
Ref.Str.:
A.P. Zhuhlistov, A.S. Avilov, D. Ferraris, B.B. Zvyagin et al. (1997)
* Kristallogr., 42, 841-845
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.149 alpha = 90.0
b = 3.149 beta = 90.0
c = 4.769 gamma = 120.0
Unit cell volume (cub. angs.) = 40.95
Molar volume ( cub.cm/mol.) = 24.67
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Mg = 1.00
2 0.3333 0.6667 0.2205 0.0 O = 1.00
3 0.3333 0.6667 0.43 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.3333 0.6667 0.2205
3 3 0.3333 0.6667 0.43
4 2 0.6667 0.3333 0.7795
5 3 0.6667 0.3333 0.57
X-ray density (g/cm cub.) = 2.36
MU (1/cm) = 52.977 Mass attenuation coefficient (cm**2/g) = 22.412
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.1004 2
2.1001 2
2.1004 2
2.1004 2
2.1001 2
2.1004 2
2 O 3.264 12
3.149 2
3.149 2
3.149 2
3.149 2
3.149 2
3.149 2
3.2267 2
2.7799 2
3.227 2
2.7803 2
3.2267 2
2.7799 2
3 H 1.632 1
0.9991 2
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 1 9.295 18.59 0.105 73.74 2 11.7 1201.6
2 1 0 0 16.407 32.813 0.183 22.3 6 2.6 52.6
3 0 0 2 18.847 37.693 0.21 16.47 2 0.8 1.3
4 1 0 -1 18.988 37.976 0.211 16.2 6 18.0 1869.6
5 1 0 1 18.988 37.976 0.211 16.2 6 1.5 13.1
6 1 0 -2 25.411 50.822 0.279 8.41 6 14.1 596.6
7 1 0 2 25.411 50.822 0.279 8.41 6 9.5 272.3
8 0 0 3 28.983 57.967 0.315 6.24 2 3.1 7.3
9 1 1 0 29.289 58.579 0.318 6.09 6 15.8 546.8
10 1 1 1 31.011 62.021 0.334 5.36 12 8.1 250.1
11 1 0 -3 34.116 68.232 0.364 4.37 6 4.1 25.7
12 1 0 3 34.116 68.232 0.364 4.37 6 13.3 275.4
13 2 0 0 34.396 68.791 0.367 4.29 6 3.2 15.6
14 1 1 2 35.891 71.783 0.381 3.94 12 0.8 2.0
15 2 0 -1 35.983 71.966 0.381 3.92 6 0.6 0.4
16 2 0 1 35.983 71.966 0.381 3.92 6 11.8 196.5
17 0 0 4 40.246 80.492 0.419 3.22 2 10.3 41.2
18 2 0 -2 40.598 81.196 0.422 3.18 6 7.1 57.2
19 2 0 2 40.598 81.196 0.422 3.18 6 10.3 120.0
20 1 1 3 43.517 87.034 0.447 2.92 12 2.9 17.3
21 1 0 -4 44.839 89.678 0.458 2.84 6 0.5 0.2
22 1 0 4 44.839 89.678 0.458 2.84 6 7.1 50.7
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 1 9.295 18.59 4.769 1201.6 63.8 64.8 5.6
2 1 0 0 16.407 32.813 2.72711 52.6 2.8 2.8 5.6
3 1 0 1 18.988 37.976 2.36738 1882.7 100.0 100.0 5.7
4 1 0 2 25.411 50.822 1.79508 869.0 46.2 45.5 5.8
5 1 1 0 29.289 58.579 1.5745 546.8 29.0 28.3 5.8
6 1 1 1 31.011 62.021 1.49512 250.1 13.3 12.9 5.8
7 1 0 3 34.116 68.232 1.37337 301.1 16.0 15.4 5.9
8 2 0 1 35.983 71.966 1.31102 196.5 10.4 10.0 5.9
9 0 0 4 40.246 80.492 1.19225 41.2 2.2 2.1 6.0
10 2 0 2 40.598 81.196 1.18369 177.2 9.4 8.8 6.1
11 1 0 4 44.839 89.678 1.09242 50.7 2.7 2.5 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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