#------------------------------------------------------------------------------ #$Date: 2015-10-09 14:23:03 +0300 (Fri, 09 Oct 2015) $ #$Revision: 161781 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/47/1534789.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_1534789 loop_ _publ_author_name 'Gruss, M.' 'Glaum, R.' _publ_section_title ; Beitraege zur Kristallchemie und zum thermischen Verhalten von wasserfreien Phosphaten. XXIV. Darstellung, Kristallstruktur und Eigenschaften des Kupfer(II)-Indium(III)-Orthophosphats Cu3 In2 (P O4)4 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1377 _journal_page_last 1382 _journal_volume 627 _journal_year 2001 _chemical_formula_sum 'Cu3 In2 O16 P4' _chemical_name_systematic 'Cu3 In2 (P O4)4' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 108.393 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.9067 _cell_length_b 8.8271 _cell_length_c 7.8815 _cell_volume 587.991 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Gruss_ZAACAB_2001_217.cif _cod_data_source_block Cu3In2O16P4 _cod_original_cell_volume 587.9912 _cod_database_code 1534789 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z 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 In1 In+3 0.75512 -0.00072 0.25288 1 0.0 O7 O-2 0.2379 0.6345 0.0109 1 0.0 O2 O-2 0.5941 0.5843 0.1663 1 0.0 Cu2 Cu+2 0.59537 0.37254 0.11252 1 0.0 P2 P+5 0.40041 0.16336 0.15964 1 0.0 O5 O-2 0.8877 0.3736 0.3104 1 0.0 O4 O-2 0.0619 0.3595 0.1052 1 0.0 O1 O-2 0.9113 0.135 0.156 1 0.0 O6 O-2 0.266 0.11 0.0009 1 0.0 Cu1 Cu+2 0 0 0 1 0.0 O3 O-2 0.4035 0.3384 0.1903 1 0.0 P1 P+5 0.91272 0.31087 0.14208 1 0.0 O8 O-2 0.5629 0.3524 0.6203 1 0.0