#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9000148.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_9000148 _chemical_name 'Cheralite' loop_ _publ_author_name 'Finney J J' 'Rao N N' _journal_name_full "American Mineralogist" _journal_volume 52 _journal_year 1967 _journal_page_first 13 _journal_page_last 19 _publ_section_title ; The crystal structure of cheralite ; _chemical_formula_sum '(Ce.15 La.14 Th.33 Ca.32 Pb.01 U.05) (P.96 Si.04) O4' _cell_length_a 6.717 _cell_length_b 6.920 _cell_length_c 6.434 _cell_angle_alpha 90 _cell_angle_beta 103.83 _cell_angle_gamma 90 _cell_volume 290.393 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_Uiso_or_equiv Ce 0.21980 0.15960 0.39910 0.15000 0.01368 La 0.21980 0.15960 0.39910 0.14000 0.01368 Th 0.21980 0.15960 0.39910 0.33000 0.01368 Ca 0.21980 0.15960 0.39910 0.32000 0.01368 Pb 0.21980 0.15960 0.39910 0.01000 0.01368 U 0.21980 0.15960 0.39910 0.05000 0.01368 P 0.19600 0.16300 0.88580 0.96000 0.01051 Si 0.19600 0.16300 0.88580 0.04000 0.01051 O1 0.24730 0.50640 0.44260 1.00000 0.03242 O2 0.02380 0.10440 0.69060 1.00000 0.02330 O3 0.37400 0.22210 0.78980 1.00000 0.01976 O4 0.11140 0.33370 -0.00110 1.00000 0.02444