#------------------------------------------------------------------------------ #$Date: 2013-05-02 22:21:56 +0300 (Thu, 02 May 2013) $ #$Revision: 84520 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/11/1511162.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_1511162 loop_ _publ_author_name 'He, M.' 'Liang, J.K.' 'Yang, Z.' 'Chen, X.L.' 'Chen, J.R.' _publ_section_title ; The crystal structure of alpha-(Sr Ga B O4) ; _journal_name_full 'Crystal Research and Technology' _journal_page_first 634 _journal_page_last 642 _journal_volume 39 _journal_year 2004 _chemical_formula_sum 'B Ga O4 Sr' _chemical_name_systematic 'Sr (Ga B O4)' _space_group_IT_number 56 _symmetry_space_group_name_Hall '-P 2ab 2ac' _symmetry_space_group_name_H-M 'P c c n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 15.3154 _cell_length_b 8.9186 _cell_length_c 5.813 _cell_volume 794.009 _citation_journal_id_ASTM CRTEDF _[local]_cod_data_source_file boron0-1_266.cif _[local]_cod_data_source_block B1Ga1O4Sr1 _[local]_cod_chemical_formula_sum_orig 'B1 Ga1 O4 Sr1' _cod_original_cell_volume 794.0089 _cod_database_code 1511162 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y+1/2,z x+1/2,-y,-z+1/2 -x,y+1/2,-z+1/2 -x,-y,-z x-1/2,y-1/2,-z -x-1/2,y,z-1/2 x,-y-1/2,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 B1 B+3 0.87 0.017 0.358 1 0.0 Ga1 Ga+3 0.9479 0.2571 0.1253 1 0.0 O2 O-2 0.8242 0.6115 0.8986 1 0.0 O3 O-2 0.975 0.76 0.126 1 0.0 Sr1 Sr+2 0.8477 0.8869 0.8871 1 0.0 O4 O-2 0.8858 0.0722 0.5706 1 0.0 O1 O-2 0.8753 0.0973 0.1618 1 0.0