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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*** W W W - X R A Y P O L ***
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LIZARDITE
5, 1T, at 12.5 kbar, f-serpentine
[Mg(2.79)Fe(0.14)Al(0.07)][Si(1.83)Al(0.17)]O(5)(OH)(4)
Hexagonal P 31m Z = 1
R =0.074 NR =35
28 .5 .1996
Ref.Str.:
Mellini M., Zanazzi P. F. (1989)
* Eur. J. Mineral., 1, 13-19
Reserv:
S.O.L.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.316 alpha = 90.0
b = 5.316 beta = 90.0
c = 7.15 gamma = 120.0
Unit cell volume (cub. angs.) = 174.99
Molar volume ( cub.cm/mol.) = 105.4
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.067 0.01 Si = 1.00
2 0.337 0.0 0.457 0.03 Mg = 1.00
3 0.3333 0.6667 0.291 0.0 O = 1.00
4 0.0 0.513 0.983 0.01 O = 1.00
5 0.0 0.668 0.587 0.03 O = 1.00
6 0.0 0.0 0.27 0.0 O = 1.00
7 0.64 0.0 0.71 0.04 H = 1.00
8 0.0 0.0 0.11 0.04 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.067
2 2 0.337 0.0 0.457
3 3 0.3333 0.6667 0.291
4 4 0.0 0.513 0.983
5 5 0.0 0.668 0.587
6 6 0.0 0.0 0.27
7 7 0.64 0.0 0.71
8 8 0.0 0.0 0.11
9 2 0.0 0.337 0.457
10 2 0.663 0.663 0.457
11 4 0.487 0.487 0.983
12 4 0.513 0.0 0.983
13 5 0.332 0.332 0.587
14 5 0.668 0.0 0.587
15 7 0.0 0.64 0.71
16 7 0.36 0.36 0.71
17 1 0.6667 0.3333 0.067
18 3 0.6667 0.3333 0.291
X-ray density (g/cm cub.) = 2.63
MU (1/cm) = 115.205 Mass attenuation coefficient (cm**2/g) = 43.824
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.1 4
1.6016 3
1.6494 4
1.6495 4
1.6494 4
2 Mg 2.52 6
2.1247 3
2.0066 5
2.2354 6
2.0066 5
1.9901 5
2.1247 3
3 O 3.264 12
2.685 4
2.7625 5
3.0729 6
3.0728 6
3.0729 6
2.6851 4
2.685 4
2.7626 5
2.7626 5
3.0692 3
3.0693 3
3.0692 3
4 O 3.264 7
2.685 3
2.9489 5
2.6607 4
2.6607 4
2.6607 4
2.6607 4
2.685 3
5 O 3.264 10
2.7625 3
2.9489 4
2.8727 6
3.0569 5
3.0754 5
3.0754 5
3.0754 5
3.0569 5
3.0754 5
2.7626 3
6 O 3.264 9
3.0729 3
3.0728 3
3.0729 3
2.8727 5
2.8726 5
2.8726 5
3.0729 3
3.0728 3
3.0729 3
7 H 1.632 1
0.892 5
8 H 1.632 1
1.144 6
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 0 0 1 7.186 14.373 0.07 124.84 2 27.3 609.0
2 1 0 0 11.203 22.406 0.109 50.09 6 18.7 341.8
3 1 0 1 13.361 26.721 0.129 34.61 12 15.6 328.2
4 0 0 2 14.489 28.979 0.14 29.13 2 49.1 459.0
5 1 0 2 18.468 36.936 0.177 17.22 12 13.8 128.0
6 1 1 0 19.665 39.33 0.188 14.99 6 10.2 30.3
7 1 1 -1 21.04 42.08 0.201 12.89 6 58.0 850.5
8 1 1 1 21.04 42.08 0.201 12.89 6 21.2 113.1
9 0 0 3 22.043 44.085 0.21 11.61 2 15.7 18.6
10 2 0 0 22.866 45.732 0.217 10.69 6 7.9 13.0
11 2 0 1 24.093 48.186 0.228 9.5 12 8.8 29.0
12 1 1 -2 24.793 49.585 0.234 8.9 6 43.0 322.9
13 1 1 2 24.793 49.585 0.234 8.9 6 20.2 71.3
14 1 0 3 24.999 49.999 0.236 8.73 12 12.3 51.7
15 2 0 2 27.526 55.053 0.258 7.01 12 11.2 34.7
16 0 0 4 30.026 60.053 0.28 5.76 2 24.3 22.2
17 1 1 -3 30.27 60.54 0.282 5.66 6 46.4 238.7
18 1 1 3 30.27 60.54 0.282 5.66 6 14.9 24.6
19 2 1 0 30.933 61.866 0.287 5.39 12 12.1 30.9
20 2 1 -1 31.941 63.881 0.296 5.03 12 12.3 30.0
21 2 1 1 31.941 63.881 0.296 5.03 12 10.4 21.4
22 1 0 4 32.465 64.931 0.3 4.85 12 7.7 11.4
23 2 0 3 32.699 65.397 0.302 4.78 12 13.6 34.4
24 2 1 -2 34.868 69.737 0.32 4.18 12 10.1 16.8
25 2 1 2 34.868 69.737 0.32 4.18 12 10.0 16.5
26 3 0 0 35.652 71.304 0.326 3.99 6 57.2 256.4
27 3 0 1 36.594 73.187 0.333 3.8 12 27.0 108.2
28 1 1 -4 37.087 74.174 0.337 3.7 6 29.0 61.1
29 1 1 4 37.087 74.174 0.337 3.7 6 48.1 168.2
30 0 0 5 38.719 77.437 0.35 3.43 2 28.3 18.0
31 2 0 4 39.313 78.625 0.354 3.35 12 18.0 42.3
32 3 0 2 39.368 78.735 0.355 3.34 12 20.5 54.8
33 2 1 -3 39.528 79.057 0.356 3.32 12 11.1 16.0
34 2 1 3 39.528 79.057 0.356 3.32 12 8.0 8.3
35 1 0 5 40.918 81.836 0.366 3.15 12 4.0 2.0
36 2 2 0 42.302 84.603 0.376 3.01 6 20.9 25.8
37 2 2 -1 43.201 86.402 0.383 2.94 6 25.6 37.7
38 2 2 1 43.201 86.402 0.383 2.94 6 49.1 138.9
39 3 0 3 43.887 87.774 0.388 2.89 12 13.4 20.5
40 3 1 0 44.468 88.937 0.392 2.86 12 10.9 13.4
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 0 0 1 7.186 14.373 7.15 609.0 63.2 64.6 5.6
2 1 0 0 11.203 22.406 4.60379 341.8 35.5 36.1 5.6
3 1 0 1 13.361 26.721 3.8708 328.2 34.1 34.5 5.6
4 0 0 2 14.489 28.979 3.575 459.0 47.6 48.2 5.6
5 1 0 2 18.468 36.936 2.82364 128.0 13.3 13.4 5.7
6 1 1 0 19.665 39.33 2.658 30.3 3.1 3.2 5.7
7 1 1 1 21.04 42.08 2.49142 963.5 100.0 100.0 5.7
8 0 0 3 22.043 44.085 2.38333 18.6 1.9 1.9 5.7
9 2 0 0 22.866 45.732 2.3019 13.0 1.3 1.3 5.7
10 2 0 1 24.093 48.186 2.19114 29.0 3.0 3.0 5.7
11 1 1 2 24.793 49.585 2.13304 394.2 40.9 40.6 5.7
12 1 0 3 24.999 49.999 2.11653 51.7 5.4 5.3 5.7
13 2 0 2 27.526 55.053 1.9354 34.7 3.6 3.6 5.8
14 0 0 4 30.026 60.053 1.7875 22.2 2.3 2.3 5.8
15 1 1 3 30.27 60.54 1.77446 263.3 27.3 26.7 5.8
16 2 1 0 30.933 61.866 1.74007 30.9 3.2 3.1 5.8
17 2 1 1 31.941 63.881 1.69072 51.4 5.3 5.2 5.9
18 1 0 4 32.465 64.931 1.66631 11.4 1.2 1.1 5.9
19 2 0 3 32.699 65.397 1.65573 34.4 3.6 3.5 5.9
20 2 1 2 34.868 69.737 1.56458 33.3 3.5 3.3 5.9
21 3 0 0 35.652 71.304 1.5346 256.4 26.6 25.5 5.9
22 3 0 1 36.594 73.187 1.50043 108.2 11.2 10.7 6.0
23 1 1 4 37.087 74.174 1.48329 229.3 23.8 22.7 6.0
24 0 0 5 38.719 77.437 1.43 18.0 1.9 1.8 6.0
25 2 0 4 39.313 78.625 1.41182 42.3 4.4 4.2 6.0
26 3 0 2 39.368 78.735 1.41017 54.8 5.7 5.4 6.0
27 2 1 3 39.528 79.057 1.40537 24.2 2.5 2.4 6.0
28 2 2 0 42.302 84.603 1.329 25.8 2.7 2.5 6.1
29 2 2 1 43.201 86.402 1.30662 176.6 18.3 17.0 6.1
30 3 0 3 43.887 87.774 1.29027 20.5 2.1 2.0 6.2
31 3 1 0 44.468 88.937 1.27686 13.4 1.4 1.3 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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