#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/35/1533564.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_1533564 loop_ _publ_author_name 'Azad, A.K.' 'Eriksson, S.G.' 'Ivanov, S.A.' 'Svedlindh, P.' 'Mathieu, R.' 'Eriksen, J.' 'Rundlof, H.' _publ_section_title ; Synthesis, structural and magnetic characterisation of the double perovskite A2 Mn Mo O6 (A = Ba, Sr) ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 77 _journal_page_last 82 _journal_volume 364 _journal_year 2004 _chemical_formula_sum 'Mo O4 Sr' _chemical_name_systematic 'Sr (Mo O4)' _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 5.3897 _cell_length_b 5.3897 _cell_length_c 12.0209 _cell_volume 349.194 _citation_journal_id_ASTM JALCEU _cod_data_source_file Azad_JALCEU_2004_1356.cif _cod_data_source_block Mo1O4Sr1 _cod_original_cell_volume 349.1935 _cod_original_formula_sum 'Mo1 O4 Sr1' _cod_database_code 1533564 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 Sr1 Sr+2 0 0.25 0.625 1 0.0 Mo1 Mo+6 0 0.25 0.125 1 0.0 O1 O-2 0.2373 0.1146 0.0433 1 0.0