#------------------------------------------------------------------------------ #$Date: 2015-09-18 02:31:29 +0300 (Fri, 18 Sep 2015) $ #$Revision: 157369 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/17/1531797.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_1531797 loop_ _publ_author_name 'Li, Z.-F.' 'Li, G.-B.' 'Lin, J.-H.' 'Liao, F.-H.' _publ_section_title ; On the synthesis and structure of La Ca Ga O4 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 59 _journal_page_last 65 _journal_volume 172 _journal_year 2003 _chemical_formula_sum 'Ca Ga La O4' _chemical_name_systematic 'La Ca Ga O4' _space_group_IT_number 33 _symmetry_space_group_name_Hall 'P 2c -2n' _symmetry_space_group_name_H-M 'P n a 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.8083 _cell_length_b 5.3529 _cell_length_c 6.8603 _cell_volume 433.630 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Li_JSSCBI_2003_1555.cif _cod_data_source_block Ca1Ga1La1O4 _cod_original_cell_volume 433.6303 _cod_chemical_formula_sum_orig 'Ca1 Ga1 La1 O4' _cod_database_code 1531797 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 -x+1/2,y+1/2,z+1/2 x+1/2,-y+1/2,z 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 O3 O-2 0.335 0.226 0.436 1 0.0 La1 La+3 0.216 0.508 0.244 1 0.0 O4 O-2 0.154 0.732 0.517 1 0.0 Ga1 Ga+3 0.406 0.066 0.243 1 0.0 O2 O-2 0.407 0.722 0.234 1 0.0 Ca1 Ca+2 0.5 0.5 0.5 1 0.0 O1 O-2 0.545 0.224 0.236 1 0.0