#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/11/1511161.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_1511161 loop_ _publ_author_name 'Liang, J.K.' 'Xu, T.' 'Yang, Z.' 'Chen, X.L.' 'Lan, Y.C.' _publ_section_title ; Phase relations in the Mg O - Ga2 O3 - B2 O3 system and crystal structure of Mg Ga B O4 ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 247 _journal_page_last 252 _journal_volume 319 _journal_year 2001 _chemical_formula_sum 'B Ga Mg O4' _chemical_name_systematic 'Mg Ga (B O3) O' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2c 2n' _symmetry_space_group_name_H-M 'P n a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.1847 _cell_length_b 9.2942 _cell_length_c 3.0779 _cell_volume 262.743 _citation_journal_id_ASTM JALCEU _[local]_cod_data_source_file boron0-1_265.cif _[local]_cod_data_source_block B1Ga1Mg1O4 _[local]_cod_cif_authors_sg_Hall '-P 2ac 2n (-x,z,y)' _[local]_cod_chemical_formula_sum_orig 'B1 Ga1 Mg1 O4' _cod_original_cell_volume 262.7432 _cod_database_code 1511161 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z x+1/2,-y+1/2,-z+1/2 -x,-y,z+1/2 -x,-y,-z x-1/2,-y-1/2,z -x-1/2,y-1/2,z-1/2 x,y,-z-1/2 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 Ga2 Ga+3 0.3966 0.1907 0.25 0.222 0.0 O4 O-2 0.4888 0.3855 0.25 1 0.0 Mg1 Mg+2 0.3855 0.5693 0.25 0.222 0.0 O2 O-2 0.2558 0.7456 0.25 1 0.0 O1 O-2 0.4822 0.874 0.25 1 0.0 O3 O-2 0.2636 0.0073 0.25 1 0.0 Ga1 Ga+3 0.3855 0.5693 0.25 0.778 0.0 B1 B+3 0.3365 0.8759 0.25 1 0.0 Mg2 Mg+2 0.3966 0.1907 0.25 0.778 0.0 _journal_paper_doi 10.1016/S0925-8388(01)00871-4