#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/12/1531210.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_1531210 loop_ _publ_author_name 'Bonhomme, F.' 'Nenoff, T.M.' 'Thoma, S.G.' _publ_section_title ; Two ammonium templated gallophosphates: synthesis and structure determination from powder diffraction data of 2D and 3D-GAPON ; _journal_name_full 'Microporous and Mesoporous Materials' _journal_page_first 87 _journal_page_last 96 _journal_volume 53 _journal_year 2002 _chemical_formula_sum 'Ga2 H12 N3 O12 P3' _chemical_name_systematic '(N H4)3 (Ga2 P3 O12)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 111.28 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 13.462 _cell_length_b 10.301 _cell_length_c 8.992 _cell_volume 1161.920 _citation_journal_id_ASTM MIMMFJ _cod_data_source_file Bonhomme_MIMMFJ_2002_753.cif _cod_data_source_block H12Ga2N3O12P3 _cod_original_cell_volume 1161.92 _cod_original_formula_sum 'H12 Ga2 N3 O12 P3' _cod_database_code 1531210 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,-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 O4 O-2 0.4192 0.0885 0.7794 1 0.0 Ga1 Ga+3 0.3323 0.9229 0.4183 1 0.0 P1 P+5 0.5 0.0011 0.75 1 0.0 N2 N-3 0.1078 0.2003 0.461 1 0.0 N1 N-3 0.5 0.409 0.25 1 0.0 P2 P+5 0.2074 0.1272 0.1618 1 0.0 O5 O-2 0.2833 0.075 0.3244 1 0.0 O2 O-2 0.2298 0.0578 0.0265 1 0.0 O6 O-2 0.0926 0.1007 0.1415 1 0.0 O3 O-2 0.4456 0.9103 0.6057 1 0.0 O1 O-2 0.2327 0.2724 0.166 1 0.0