#------------------------------------------------------------------------------ #$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $ #$Revision: 177123 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/91/01/5910199.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_5910199 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Pages 19, 20 & 22 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _journal_name_full 'The Structure of Crystals' _journal_page_first 19 _journal_page_last 22 _journal_volume 3 _journal_year 1951 _chemical_formula_structural GaPO4 _chemical_formula_sum 'Ga O4 P' _space_group_IT_number 20 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 20 _symmetry_space_group_name_Hall 'C 2c 2' _symmetry_space_group_name_H-M 'C 2 2 21' _audit_creation_date 2006-02-07 _audit_creation_method ; Pages 19, 20 & 22 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _audit_update_record 'created by Girish Upreti, Portland State University' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 6.967 _cell_length_b 6.967 _cell_length_c 6.866 _cell_volume 333.269 _cod_original_formula_sum 'Ga P O4' _cod_database_code 5910199 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,-z -x,y,-z+1/2 -x,-y,z+1/2 x+1/2,y+1/2,z x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,z+1/2 loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.00000 0.18300 0.25000 Ga1 0.50000 0.68300 0.25000 Ga2 -0.00000 0.18300 0.25000 Ga3 -0.50000 0.68300 0.25000 Ga4 0.32700 0.00000 0.00000 P1 -0.32700 0.00000 0.50000 P2 0.82700 0.50000 0.00000 P3 0.17300 0.50000 0.50000 P4 0.19800 0.03500 0.18200 O1 0.19800 -0.03500 -0.18200 O2 -0.19800 -0.03500 1.46500 O3 -0.19800 0.03500 0.31800 O4 0.69800 0.53500 0.18200 O5 0.69800 0.46500 -0.18200 O6 0.30200 0.46500 0.68200 O7 0.30200 0.53500 0.31800 O8 0.45600 0.17900 0.96500 O9