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
7, 1T, f-serpentine
Mg(3)Si(2)O(5)(OH)(4)
Hexagonal P 31m Z = 1
R =0.031 NR =195
10 .3 .1999
Ref.Str.:
Zhukhlistov A.P., Zvyagin B.B. (1998)
* Kristallogr., 43, 1009-1014
Reserv:
See U(jj) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.317 alpha = 90.0
b = 5.317 beta = 90.0
c = 7.31 gamma = 120.0
Unit cell volume (cub. angs.) = 178.97
Molar volume ( cub.cm/mol.) = 107.8
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.3707 0.0 Si = 1.00
2 0.6678 0.0 0.9908 0.0 Mg = 1.00
3 0.3333 0.6667 0.1495 0.0 O = 1.00
4 0.4931 0.0 0.4509 0.0 O = 1.00
5 0.3342 0.0 0.8535 0.0 O = 1.00
6 0.0 0.0 0.1433 0.0 O = 1.00
7 0.337 0.0 0.723 0.0 H = 1.00
8 0.0 0.0 0.27 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.3707
2 2 0.6678 0.0 0.9908
3 3 0.3333 0.6667 0.1495
4 4 0.4931 0.0 0.4509
5 5 0.3342 0.0 0.8535
6 6 0.0 0.0 0.1433
7 7 0.337 0.0 0.723
8 8 0.0 0.0 0.27
9 2 0.0 0.6678 0.9908
10 2 0.3322 0.3322 0.9908
11 4 0.0 0.4931 0.4509
12 4 0.5069 0.5069 0.4509
13 5 0.0 0.3342 0.8535
14 5 0.6658 0.6658 0.8535
15 7 0.0 0.337 0.723
16 7 0.663 0.663 0.723
17 1 0.6667 0.3333 0.3707
18 3 0.6667 0.3333 0.1495
X-ray density (g/cm cub.) = 2.57
MU (1/cm) = 112.641 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
1.617 3
1.6434 4
1.6434 4
1.6435 4
2 Mg 2.52 6
2.1208 3
2.038 5
2.0887 6
2.0362 5
2.0362 5
2.1208 3
3 O 3.264 12
2.6854 4
2.7955 5
3.0701 6
3.0701 6
3.0701 6
2.6854 4
2.6855 4
2.7955 5
2.7956 5
3.0697 3
3.0698 3
3.0697 3
4 O 3.264 7
2.6854 3
3.0619 5
2.6592 4
2.6593 4
2.6592 4
2.6593 4
2.6854 3
5 O 3.264 10
2.7955 3
3.0619 4
2.765 6
3.0658 5
3.0777 5
3.0658 5
3.0658 5
3.0658 5
3.0777 5
2.7955 3
6 O 3.264 9
3.0701 3
3.0701 3
3.0701 3
2.765 5
2.765 5
2.765 5
3.0701 3
3.0701 3
3.0701 3
7 H 1.632 1
0.9541 5
8 H 1.632 1
0.9262 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 7.028 14.057 0.068 130.62 2 30.4 751.7
2 1 0 0 11.201 22.402 0.109 50.11 6 18.1 308.9
3 1 0 1 13.272 26.544 0.128 35.09 12 17.4 397.5
4 0 0 2 14.165 28.331 0.137 30.56 2 47.6 432.6
5 1 0 2 18.207 36.413 0.175 17.77 12 14.4 137.2
6 1 1 0 19.661 39.322 0.188 14.99 6 10.6 31.3
7 1 1 -1 20.978 41.956 0.2 12.98 6 56.7 781.5
8 1 1 1 20.978 41.956 0.2 12.98 6 20.2 99.2
9 0 0 3 21.536 43.072 0.205 12.24 2 21.8 36.5
10 2 0 0 22.861 45.723 0.217 10.69 6 7.1 10.0
11 2 0 1 24.036 48.073 0.228 9.55 12 8.6 26.6
12 1 0 3 24.539 49.078 0.232 9.11 12 10.4 37.2
13 1 1 -2 24.585 49.17 0.233 9.07 6 44.6 338.7
14 1 1 2 24.585 49.17 0.233 9.07 6 19.9 67.0
15 2 0 2 27.333 54.665 0.257 7.13 12 11.7 36.3
16 0 0 4 29.304 58.608 0.274 6.09 2 20.4 15.7
17 1 1 -3 29.864 59.728 0.278 5.83 6 46.1 232.3
18 1 1 3 29.864 59.728 0.278 5.83 6 14.9 24.2
19 2 1 0 30.927 61.853 0.287 5.4 12 12.3 30.7
20 1 0 4 31.775 63.55 0.294 5.08 12 7.9 11.8
21 2 1 -1 31.891 63.782 0.295 5.04 12 12.1 27.8
22 2 1 1 31.891 63.782 0.295 5.04 12 11.8 26.4
23 2 0 3 32.31 64.619 0.299 4.9 12 14.4 38.0
24 2 1 -2 34.697 69.393 0.318 4.22 12 11.2 19.8
25 2 1 2 34.697 69.393 0.318 4.22 12 10.0 16.0
26 3 0 0 35.644 71.289 0.326 4.0 6 57.3 245.8
27 1 1 -4 36.437 72.873 0.332 3.83 6 34.2 83.7
28 1 1 4 36.437 72.873 0.332 3.83 6 47.7 162.9
29 3 0 1 36.546 73.091 0.333 3.81 12 28.2 113.4
30 0 0 5 37.72 75.44 0.342 3.59 2 27.4 16.8
31 2 0 4 38.674 77.349 0.349 3.44 12 14.8 28.2
32 2 1 -3 39.166 78.333 0.353 3.37 12 8.7 9.6
33 2 1 3 39.166 78.333 0.353 3.37 12 8.0 8.1
34 3 0 2 39.202 78.403 0.353 3.36 12 18.5 43.1
35 1 0 5 39.934 79.868 0.359 3.26 12 6.0 4.3
36 2 2 0 42.292 84.583 0.376 3.01 6 21.0 24.9
37 2 2 -1 43.152 86.305 0.382 2.94 6 24.4 32.7
38 2 2 1 43.152 86.305 0.382 2.94 6 49.5 134.8
39 3 0 3 43.53 87.06 0.385 2.92 12 15.2 25.4
40 1 1 -5 44.284 88.568 0.39 2.87 6 15.2 12.4
41 1 1 5 44.284 88.568 0.39 2.87 6 44.5 106.1
42 3 1 0 44.458 88.915 0.392 2.86 12 10.2 11.1
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 7.028 14.057 7.31 751.7 85.3 87.3 5.6
2 1 0 0 11.201 22.402 4.60466 308.9 35.1 35.7 5.6
3 1 0 1 13.272 26.544 3.89612 397.5 45.1 45.8 5.6
4 0 0 2 14.165 28.331 3.655 432.6 49.1 49.7 5.6
5 1 0 2 18.207 36.413 2.86277 137.2 15.6 15.7 5.7
6 1 1 0 19.661 39.322 2.6585 31.3 3.6 3.6 5.7
7 1 1 1 20.978 41.956 2.49841 880.7 100.0 100.0 5.7
8 0 0 3 21.536 43.072 2.43667 36.5 4.1 4.1 5.7
9 2 0 0 22.861 45.723 2.30233 10.0 1.1 1.1 5.7
10 2 0 1 24.036 48.073 2.19599 26.6 3.0 3.0 5.7
11 1 0 3 24.539 49.078 2.15371 37.2 4.2 4.2 5.7
12 1 1 2 24.585 49.17 2.14994 405.7 46.1 45.7 5.7
13 2 0 2 27.333 54.665 1.94806 36.3 4.1 4.1 5.8
14 0 0 4 29.304 58.608 1.8275 15.7 1.8 1.8 5.8
15 1 1 3 29.864 59.728 1.7963 256.5 29.1 28.5 5.8
16 2 1 0 30.927 61.853 1.7404 30.7 3.5 3.4 5.8
17 1 0 4 31.775 63.55 1.69861 11.8 1.3 1.3 5.9
18 2 1 1 31.891 63.782 1.69307 54.2 6.2 6.0 5.9
19 2 0 3 32.31 64.619 1.67347 38.0 4.3 4.2 5.9
20 2 1 2 34.697 69.393 1.57135 35.7 4.1 3.9 5.9
21 3 0 0 35.644 71.289 1.53489 245.8 27.9 26.8 5.9
22 1 1 4 36.437 72.873 1.50599 246.6 28.0 26.8 6.0
23 3 0 1 36.546 73.091 1.50213 113.4 12.9 12.3 6.0
24 0 0 5 37.72 75.44 1.462 16.8 1.9 1.8 6.0
25 2 0 4 38.674 77.349 1.43138 28.2 3.2 3.0 6.0
26 2 1 3 39.166 78.333 1.41624 17.7 2.0 1.9 6.0
27 3 0 2 39.202 78.403 1.41517 43.1 4.9 4.6 6.0
28 2 2 0 42.292 84.583 1.32925 24.9 2.8 2.6 6.1
29 2 2 1 43.152 86.305 1.3078 167.5 19.0 17.7 6.1
30 3 0 3 43.53 87.06 1.29871 25.4 2.9 2.7 6.1
31 1 1 5 44.284 88.568 1.28106 118.5 13.5 12.4 6.2
32 3 1 0 44.458 88.915 1.2771 11.1 1.3 1.2 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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