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 *** *********************** LUTETIUM 1, at 20'C Lu Hexagonal P 6(3)/mmc Z = 2 P6(3)/mmc 9 .7 .1992 Ref.Str.: Wyckoff R.W.G. (1963) * Crystal Structures, 1, 9-11 R: ATOMIC. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 3.5031 alpha = 90.0 b = 3.5031 beta = 90.0 c = 5.5509 gamma = 120.0 Unit cell volume (cub. angs.) = 58.99 Molar volume ( cub.cm/mol.) = 17.77 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3333 0.6667 0.25 0.0 Lu = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3333 0.6667 0.25 2 1 0.6667 0.3333 0.75 X-ray density (g/cm cub.) = 9.85 MU (1/cm) = 1496.739 Mass attenuation coefficient (cm**2/g) = 152.0 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Lu 4.176 12 3.5031 1 3.5031 1 3.5031 1 3.5031 1 3.5031 1 3.5031 1 3.4342 1 3.4342 1 3.4342 1 3.4342 1 3.4342 1 3.4342 1 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 14.709 29.417 0.165 28.21 6 55.3 14897.3 2 0 0 2 16.113 32.226 0.18 23.18 2 108.6 15727.1 3 1 0 1 16.819 33.638 0.188 21.13 12 93.2 63280.7 4 1 0 2 22.096 44.191 0.244 11.55 12 50.0 9962.7 5 1 1 0 26.089 52.178 0.285 7.92 6 94.4 12180.2 6 1 0 3 29.184 58.368 0.317 6.14 12 78.2 12940.8 7 2 0 0 30.518 61.035 0.33 5.56 6 44.3 1877.3 8 1 1 2 31.334 62.667 0.338 5.24 12 87.5 13833.5 9 2 0 1 31.764 63.528 0.342 5.09 12 75.3 9944.5 10 0 0 4 33.715 67.431 0.36 4.48 2 84.5 1839.1 11 2 0 2 35.359 70.718 0.376 4.06 12 41.3 2389.6 12 1 0 4 37.617 75.234 0.396 3.61 12 40.0 1995.4 13 2 0 3 41.044 82.088 0.426 3.13 12 66.3 4748.7 14 2 1 0 42.203 84.406 0.436 3.02 12 37.7 1481.3 15 2 1 1 43.31 86.62 0.445 2.93 24 64.4 8392.3 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 14.709 29.417 3.03377 14897.3 23.5 23.6 5.6 2 0 0 2 16.113 32.226 2.77545 15727.1 24.9 24.9 5.6 3 1 0 1 16.819 33.638 2.66212 63280.7 100.0 100.0 5.7 4 1 0 2 22.096 44.191 2.04779 9962.7 15.7 15.6 5.7 5 1 1 0 26.089 52.178 1.75155 12180.2 19.2 18.9 5.8 6 1 0 3 29.184 58.368 1.57968 12940.8 20.4 19.9 5.8 7 2 0 0 30.518 61.035 1.51689 1877.3 3.0 2.9 5.8 8 1 1 2 31.334 62.667 1.48125 13833.5 21.9 21.1 5.8 9 2 0 1 31.764 63.528 1.46324 9944.5 15.7 15.2 5.9 10 0 0 4 33.715 67.431 1.38772 1839.1 2.9 2.8 5.9 11 2 0 2 35.359 70.718 1.33106 2389.6 3.8 3.6 5.9 12 1 0 4 37.617 75.234 1.26197 1995.4 3.2 3.0 6.0 13 2 0 3 41.044 82.088 1.17307 4748.7 7.5 7.0 6.1 14 2 1 0 42.203 84.406 1.14666 1481.3 2.3 2.2 6.1 15 2 1 1 43.31 86.62 1.12295 8392.3 13.3 12.2 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) |