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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MONTROYDITE
1, t-montroydite
HgO
Hexagonal P 3(1)21 Z = 3
P3(1)21
20 .4 .1992
Ref.Str.:
Wyckoff R.W.J. (1964)
* Crystal Structures, 1, 112
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.577 alpha = 90.0
b = 3.577 beta = 90.0
c = 8.681 gamma = 120.0
Unit cell volume (cub. angs.) = 96.19
Molar volume ( cub.cm/mol.) = 19.31
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.745 0.0 0.3333 0.0 Hg = 1.00
2 0.46 0.0 0.8333 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.745 0.0 0.3333
2 2 0.46 0.0 0.8333
3 1 0.0 0.745 0.6667
4 1 0.255 0.255 0.0
5 2 0.0 0.46 0.1667
6 2 0.54 0.54 0.5
X-ray density (g/cm cub.) = 11.21
MU (1/cm) = 2252.654 Mass attenuation coefficient (cm**2/g) = 200.894
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Hg 2.976 6
2.0327 2
2.9015 2
2.789 2
2.9014 2
2.7889 2
2.0327 2
2 O 3.264 0
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 14.398 28.796 0.161 29.52 6 56.2 6052.6
2 1 0 -1 15.308 30.617 0.171 25.89 6 171.5 49373.1
3 1 0 1 15.308 30.617 0.171 25.89 6 60.6 6168.7
4 0 0 3 15.438 30.876 0.173 25.43 2 177.7 17363.5
5 1 0 -2 17.788 35.575 0.198 18.7 6 30.6 1134.5
6 1 0 2 17.788 35.575 0.198 18.7 6 183.5 40844.3
7 1 0 -3 21.362 42.725 0.236 12.46 6 61.1 3018.6
8 1 0 3 21.362 42.725 0.236 12.46 6 61.1 3017.9
9 1 1 0 25.511 51.022 0.28 8.34 6 130.1 9155.7
10 1 0 -4 25.681 51.362 0.281 8.21 6 163.3 14199.4
11 1 0 4 25.681 51.362 0.281 8.21 6 29.1 451.0
12 1 1 1 26.087 52.173 0.285 7.92 12 81.1 6765.2
13 1 1 2 27.763 55.526 0.302 6.88 12 69.6 4323.9
14 2 0 0 29.822 59.645 0.323 5.85 6 42.8 695.1
15 2 0 -1 30.342 60.685 0.328 5.63 6 97.0 3432.9
16 2 0 1 30.342 60.685 0.328 5.63 6 114.9 4818.9
17 1 1 3 30.418 60.837 0.329 5.6 12 124.9 11332.7
18 1 0 -5 30.57 61.14 0.33 5.54 6 46.2 766.0
19 1 0 5 30.57 61.14 0.33 5.54 6 140.9 7127.8
20 2 0 -2 31.872 63.745 0.343 5.05 6 107.4 3780.2
21 2 0 2 31.872 63.745 0.343 5.05 6 102.1 3414.6
22 0 0 6 32.167 64.334 0.346 4.95 2 166.8 2977.9
23 1 1 4 33.924 67.847 0.362 4.42 12 64.7 2400.4
24 2 0 -3 34.338 68.676 0.366 4.31 6 59.7 996.4
25 2 0 3 34.338 68.676 0.366 4.31 6 59.7 996.4
26 1 0 -6 35.987 71.973 0.381 3.92 6 43.5 481.0
27 1 0 6 35.987 71.973 0.381 3.92 6 43.5 480.7
28 2 0 -4 37.66 75.32 0.397 3.6 6 94.9 2101.5
29 2 0 4 37.66 75.32 0.397 3.6 6 100.3 2349.4
30 1 1 5 38.194 76.387 0.401 3.51 12 68.7 2152.8
31 2 1 0 41.139 82.277 0.427 3.12 12 103.8 4361.3
32 2 1 -1 41.593 83.187 0.431 3.08 12 77.6 2403.7
33 2 1 1 41.593 83.187 0.431 3.08 12 67.9 1840.4
34 2 0 -5 41.793 83.587 0.433 3.06 6 99.8 1975.6
35 2 0 5 41.793 83.587 0.433 3.06 6 85.0 1433.6
36 1 0 -7 41.993 83.987 0.434 3.04 6 123.7 3016.0
37 1 0 7 41.993 83.987 0.434 3.04 6 39.1 301.4
38 2 1 -2 42.953 85.906 0.442 2.96 12 61.5 1449.3
39 2 1 2 42.953 85.906 0.442 2.96 12 67.0 1724.2
40 1 1 6 43.219 86.437 0.445 2.94 12 105.1 4206.5
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 14.398 28.796 3.09777 6052.6 10.9 10.9 5.6
2 1 0 1 15.308 30.617 2.91758 55541.8 100.0 100.0 5.6
3 0 0 3 15.438 30.876 2.89367 17363.5 31.3 31.3 5.6
4 1 0 2 17.788 35.575 2.52147 41978.9 75.6 75.3 5.7
5 1 0 3 21.362 42.725 2.11461 6036.5 10.9 10.7 5.7
6 1 1 0 25.511 51.022 1.7885 9155.7 16.5 16.1 5.8
7 1 0 4 25.681 51.362 1.77745 14650.3 26.4 25.8 5.8
8 1 1 1 26.087 52.173 1.75171 6765.2 12.2 11.9 5.8
9 1 1 2 27.763 55.526 1.65362 4323.9 7.8 7.6 5.8
10 2 0 0 29.822 59.645 1.54889 695.1 1.3 1.2 5.8
11 2 0 1 30.342 60.685 1.52481 8251.8 14.9 14.4 5.8
12 1 1 3 30.418 60.837 1.52136 11332.7 20.4 19.7 5.8
13 1 0 5 30.57 61.14 1.51454 7893.8 14.2 13.7 5.8
14 2 0 2 31.872 63.745 1.45879 7194.8 13.0 12.5 5.9
15 0 0 6 32.167 64.334 1.44683 2977.9 5.4 5.2 5.9
16 1 1 4 33.924 67.847 1.38021 2400.4 4.3 4.1 5.9
17 2 0 3 34.338 68.676 1.36557 1992.7 3.6 3.4 5.9
18 1 0 6 35.987 71.973 1.3109 961.6 1.7 1.6 5.9
19 2 0 4 37.66 75.32 1.26074 4450.9 8.0 7.6 6.0
20 1 1 5 38.194 76.387 1.24576 2152.8 3.9 3.6 6.0
21 2 1 0 41.139 82.277 1.17085 4361.3 7.9 7.3 6.1
22 2 1 1 41.593 83.187 1.16034 4244.0 7.6 7.1 6.1
23 2 0 5 41.793 83.587 1.1558 3409.2 6.1 5.7 6.1
24 1 0 7 41.993 83.987 1.15131 3317.4 6.0 5.5 6.1
25 2 1 2 42.953 85.906 1.13044 3173.5 5.7 5.3 6.1
26 1 1 6 43.219 86.437 1.12485 4206.5 7.6 7.0 6.1
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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