Institute of Experimental Mineralogy Russian Academy of Sciences ------------------------------------------------- 142432, Chernogolovka, Moscow district A.V. Chichagov +7(496)52-22320 *** *** W W W - X R A Y P O L *** *********************** LIZARDITE 12, 2H1, at 300'C, f-serpentine Mg(3)Si(2)O(5)(OH)(4) Hexagonal P 6(3)cm Z = 2 R =0.045 21 .9 .1901 Ref.Str.: S. Guggenheim, W. Zhan (1998) * Canad. Mineral., 36, 1587-1594 Reserv: [Mg(2.83)Fe''(0.05)Al(0.1)][Si(1.93)Al(0.07)O(5)(OH)(4) There are U(ij) in the article. D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 5.336 alpha = 90.0 b = 5.336 beta = 90.0 c = 14.614 gamma = 120.0 Unit cell volume (cub. angs.) = 360.36 Molar volume ( cub.cm/mol.) = 108.53 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3333 0.6667 0.0292 0.0 Si = 1.00 2 0.332 0.0 0.2188 0.0 Mg = 1.00 3 0.3333 0.6667 0.1406 0.0 O = 1.00 4 0.494 0.0 0.991 0.0 O = 1.00 5 0.667 0.0 0.2859 0.0 O = 1.00 6 0.0 0.0 0.144 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3333 0.6667 0.0292 2 2 0.332 0.0 0.2188 3 3 0.3333 0.6667 0.1406 4 4 0.494 0.0 0.991 5 5 0.667 0.0 0.2859 6 6 0.0 0.0 0.144 7 2 0.0 0.332 0.2188 8 2 0.668 0.668 0.2188 9 4 0.0 0.494 0.991 10 4 0.506 0.506 0.991 11 5 0.0 0.667 0.2859 12 5 0.333 0.333 0.2859 13 1 0.6667 0.3333 0.5292 14 2 0.668 0.0 0.7188 15 3 0.6667 0.3333 0.6406 16 4 0.506 0.0 0.491 17 5 0.333 0.0 0.7859 18 6 0.0 0.0 0.644 19 2 0.0 0.668 0.7188 20 2 0.332 0.332 0.7188 21 4 0.0 0.506 0.491 22 4 0.494 0.494 0.491 23 5 0.0 0.333 0.7859 24 5 0.667 0.667 0.7859 25 1 0.3333 0.6666 0.5292 26 3 0.3333 0.6666 0.6406 27 1 0.6667 0.3334 0.0292 28 3 0.6667 0.3334 0.1406 X-ray density (g/cm cub.) = 2.52 MU (1/cm) = 111.869 Mass attenuation coefficient (cm**2/g) = 44.465 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Si 2.1 4 1.628 3 1.6386 4 1.6386 4 1.6391 4 2 Mg 2.52 6 2.1169 3 2.0389 5 2.0817 6 2.0272 5 2.0272 5 2.1174 3 3 O 3.264 12 2.6745 4 2.7705 5 3.0813 6 3.0808 6 3.0813 6 2.6745 4 2.6748 4 2.7703 5 2.7707 5 3.0809 3 3.0809 3 3.0804 3 4 O 3.264 7 2.6745 3 2.6686 4 2.6686 4 2.6686 4 2.6686 4 3.118 5 2.6748 3 5 O 3.264 10 2.7705 3 2.7309 6 3.0822 5 3.0777 5 3.0823 5 3.0777 5 3.0822 5 3.0823 5 3.118 4 2.7707 3 6 O 3.264 9 3.0813 3 3.0808 3 3.0813 3 2.7309 5 2.7309 5 2.7309 5 3.0813 3 3.0813 3 3.0808 3 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 2 7.031 14.063 0.068 130.51 2 66.5 890.0 2 1 0 0 11.161 22.321 0.108 50.49 6 37.7 331.1 3 1 0 2 13.239 26.479 0.128 35.28 12 36.2 427.6 4 0 0 4 14.171 28.343 0.137 30.54 2 101.8 487.6 5 1 0 4 18.186 36.371 0.174 17.81 12 28.9 137.5 6 1 1 0 19.588 39.176 0.187 15.12 6 18.8 24.7 7 1 1 1 19.925 39.851 0.191 14.56 12 23.5 74.4 8 1 1 2 20.91 41.82 0.2 13.07 12 73.2 647.6 9 0 0 6 21.545 43.09 0.205 12.22 2 42.8 34.4 10 1 1 3 22.473 44.946 0.214 11.12 12 43.4 193.4 11 2 0 0 22.775 45.551 0.216 10.79 6 12.7 8.0 12 2 0 2 23.955 47.909 0.227 9.62 12 17.2 26.2 13 1 0 6 24.527 49.054 0.232 9.12 12 20.7 36.1 14 1 1 4 24.528 49.055 0.232 9.12 12 42.7 153.8 15 1 1 5 26.996 53.992 0.254 7.33 12 59.7 241.0 16 2 0 4 27.261 54.521 0.256 7.17 12 23.5 36.6 17 0 0 8 29.317 58.635 0.274 6.08 2 44.7 18.7 18 1 1 6 29.818 59.636 0.278 5.85 12 34.5 64.5 19 2 1 0 30.804 61.609 0.286 5.44 12 25.4 32.5 20 2 1 1 31.048 62.096 0.288 5.35 24 1.3 0.2 21 1 0 8 31.77 63.541 0.294 5.09 12 15.9 11.9 22 2 1 2 31.772 63.544 0.294 5.08 24 24.5 56.3 23 2 0 6 32.249 64.497 0.298 4.92 12 28.1 36.0 24 1 1 7 32.958 65.915 0.304 4.7 12 58.1 146.7 25 2 1 3 32.959 65.917 0.304 4.7 24 1.6 0.2 26 2 1 4 34.585 69.169 0.317 4.25 24 21.5 36.3 27 3 0 0 35.498 70.997 0.325 4.03 6 112.6 235.9 28 1 1 8 36.4 72.8 0.332 3.84 12 63.0 140.6 29 3 0 2 36.402 72.803 0.332 3.84 12 57.8 118.6 30 2 1 5 36.626 73.251 0.333 3.79 24 0.8 0.0 31 0 0 10 37.738 75.477 0.342 3.59 2 55.0 16.7 32 2 0 8 38.623 77.246 0.349 3.45 12 28.5 25.9 33 2 1 6 39.063 78.126 0.352 3.38 24 16.7 17.5 34 3 0 4 39.063 78.127 0.352 3.38 12 38.9 47.3 35 1 0 10 39.936 79.872 0.359 3.26 12 12.4 4.6 36 1 1 9 40.155 80.309 0.36 3.24 12 50.7 76.9 37 2 1 7 41.889 83.779 0.373 3.05 24 1.5 0.1 38 2 2 0 42.106 84.213 0.375 3.03 6 39.3 21.6 39 2 2 1 42.322 84.644 0.376 3.01 12 19.6 10.7 40 2 2 2 42.968 85.936 0.381 2.96 12 72.8 145.0 41 3 0 6 43.398 86.795 0.384 2.92 12 30.0 24.3 42 2 2 3 44.043 88.086 0.389 2.88 12 32.0 27.3 43 1 1 10 44.256 88.511 0.39 2.87 12 51.8 71.0 44 3 1 0 44.258 88.516 0.39 2.87 12 20.3 10.9 45 3 1 1 44.473 88.945 0.392 2.86 24 1.8 0.2 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 2 7.031 14.063 7.307 890.0 100.0 100.0 5.6 2 1 0 0 11.161 22.321 4.62111 331.1 37.2 37.0 5.6 3 1 0 2 13.239 26.479 3.90561 427.6 48.0 47.6 5.6 4 0 0 4 14.171 28.343 3.6535 487.6 54.8 54.2 5.6 5 1 0 4 18.186 36.371 2.86598 137.5 15.4 15.2 5.7 6 1 1 0 19.588 39.176 2.668 24.7 2.8 2.7 5.7 7 1 1 1 19.925 39.851 2.62462 74.4 8.4 8.2 5.7 8 1 1 2 20.91 41.82 2.50616 647.6 72.8 71.2 5.7 9 0 0 6 21.545 43.09 2.43567 34.4 3.9 3.8 5.7 10 1 1 3 22.473 44.946 2.34002 193.4 21.7 21.2 5.7 11 2 0 2 23.955 47.909 2.20304 26.2 2.9 2.9 5.7 12 1 1 4 24.528 49.055 2.15464 189.9 21.3 20.7 5.7 13 1 1 5 26.996 53.992 1.9705 241.0 27.1 26.1 5.8 14 2 0 4 27.261 54.521 1.95281 36.6 4.1 4.0 5.8 15 0 0 8 29.317 58.635 1.82675 18.7 2.1 2.0 5.8 16 1 1 6 29.818 59.636 1.79882 64.5 7.2 6.9 5.8 17 2 1 0 30.804 61.609 1.74662 32.5 3.6 3.5 5.8 18 2 1 2 31.772 63.544 1.69876 68.2 7.7 7.3 5.9 19 2 0 6 32.249 64.497 1.67629 36.0 4.0 3.8 5.9 20 1 1 7 32.958 65.915 1.64417 146.9 16.5 15.6 5.9 21 2 1 4 34.585 69.169 1.5758 36.3 4.1 3.8 5.9 22 3 0 0 35.498 70.997 1.54037 235.9 26.5 24.9 5.9 23 1 1 8 36.4 72.8 1.50729 259.2 29.1 27.3 6.0 24 0 0 10 37.738 75.477 1.4614 16.7 1.9 1.7 6.0 25 2 0 8 38.623 77.246 1.43299 25.9 2.9 2.7 6.0 26 3 0 4 39.063 78.127 1.41937 64.8 7.3 6.7 6.0 27 1 1 9 40.155 80.309 1.38708 76.9 8.6 8.0 6.0 28 2 2 0 42.106 84.213 1.334 21.6 2.4 2.2 6.1 29 2 2 1 42.322 84.644 1.32848 10.7 1.2 1.1 6.1 30 2 2 2 42.968 85.936 1.31231 145.0 16.3 14.8 6.1 31 3 0 6 43.398 86.795 1.30187 24.3 2.7 2.5 6.1 32 2 2 3 44.043 88.086 1.28663 27.3 3.1 2.8 6.2 33 1 1 10 44.256 88.511 1.28172 82.0 9.2 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) |