#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000737.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2000737 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1182 _journal_page_last 1185 loop_ _publ_author_name 'Morris, R.' 'Harrison, W.T.A.' 'Cheetham, A.K.' _chemical_formula_sum 'H1 La1 O6 Se2' _chemical_formula_weight 393.83 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P c 21 b' _symmetry_space_group_name_Hall 'P -2bc -2c' _cell_length_a 7.139(6) _cell_length_b 19.008(9) _cell_length_c 8.469(9) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 1149.2 _cell_formula_units_Z 8 _exptl_crystal_density_diffrn 4.552 _exptl_crystal_density_meas ? _exptl_crystal_F_000 1392 _exptl_absorpt_coefficient_mu 19.901 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv La(1) .4190(2) .412(2) .8434(2) .0082 La(2) .9173(2) .501(2) .9474(2) .0082 Se(1) .9347(4) .360(2) .6925(4) .0083 Se(2) .4303(4) .553(2) 1.0945(4) .0088 Se(3) .4391(5) .262(2) .6264(4) .0139 Se(4) .9217(5) .652(2) 1.1708(4) .0144 O(1) .768(4) .392(3) .817(3) .0092 O(2) .137(4) .382(3) 1.009(3) .0154 O(3) .817(5) .637(3) .997(3) .0227 O(4) .639(4) .531(3) .777(3) .0156 O(5) .406(3) .487(3) .575(3) .0094 O(6) .265(4) .521(3) .971(3) .0182 O(7) .367(5) .275(3) .811(3) .0144 O(8) .672(4) .236(2) .666(3) .0151 O(9) .528(4) .347(2) 1.082(3) .0116 O(10) 1.129(6) .688(3) 1.089(4) .0305 O(11) .096(3) .429(2) .715(3) .0061 O(12) 1.016(4) .571(3) .711(3) .0087