#------------------------------------------------------------------------------ #$Date: 2015-09-05 14:43:44 +0300 (Sat, 05 Sep 2015) $ #$Revision: 154488 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/98/1529837.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_1529837 loop_ _publ_author_name 'Efremov, V.A.' 'Trunov, V.K.' 'Berezina, T.A.' 'Averina, I.M.' _publ_section_title ; Structure of Na5 Tb (Mo O4)4, Na5 Lu (Mo O4)4, and Na5 Lu (W O4)4 ; _journal_name_full Kristallografiya _journal_page_first 254 _journal_page_last 261 _journal_volume 25 _journal_year 1980 _chemical_formula_sum 'Lu Mo4 Na5 O16' _chemical_name_systematic 'Na5 Lu (Mo O4)4' _space_group_IT_number 88 _symmetry_space_group_name_Hall '-I 4ad' _symmetry_space_group_name_H-M 'I 41/a :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.323 _cell_length_b 11.323 _cell_length_c 11.385 _cell_volume 1459.675 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Efremov_KRISAJ_1980_643.cif _cod_data_source_block Lu1Mo4Na5O16 _cod_chemical_formula_sum_orig 'Lu1 Mo4 Na5 O16' _cod_database_code 1529837 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+3/4,x+1/4,z+1/4 -x+1/2,-y,z+1/2 y+3/4,-x+3/4,z+3/4 -x,-y,-z y-3/4,-x-1/4,-z-1/4 x-1/2,y,-z-1/2 -y-3/4,x-3/4,-z-3/4 x+1/2,y+1/2,z+1/2 -y+5/4,x+3/4,z+3/4 -x+1,-y+1/2,z+1 y+5/4,-x+5/4,z+5/4 -x+1/2,-y+1/2,-z+1/2 y-1/4,-x+1/4,-z+1/4 x,y+1/2,-z -y-1/4,x-1/4,-z-1/4 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Lu1 Lu+3 0 0.25 0.125 1 0.0 Na2 Na+1 0.119 0.0453 0.3448 1 0.0 Na1 Na+1 0 0.25 0.625 1 0.0 O4 O-2 0.3216 0.3334 0.3121 1 0.0 O3 O-2 0.0621 0.3609 0.286 1 0.0 O2 O-2 0.1485 0.2193 0.4733 1 0.0 O1 O-2 0.1769 0.4653 0.4772 1 0.0 Mo1 Mo+6 0.18162 0.34277 0.38538 1 0.0