#------------------------------------------------------------------------------ #$Date$ #$Revision$ #$URL$ #------------------------------------------------------------------------------ # # 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_1200002 _chemical_formula_sum 'Cu3 O8 P2' _[local]_cod_chemical_formula_sum_orig 'Cu3 P2 O8' _symmetry_cell_setting triclinic _symmetry_Int_Tables_number 2 _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 72.3626 _cell_angle_beta 86.9965 _cell_angle_gamma 68.5473 _cell_length_a 4.85642 _cell_length_b 5.29074 _cell_length_c 6.18724 _cell_volume 140.7001 _pd_block_id 2002-07-08|PHASE_02|..creator_name..|..instr_name.. _pd_phase_name Cu3(PO4)2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,-y,-z loop_ _atom_site_label _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv _atom_site_type_symbol Cu1 1 1.0 0.0 0.0 0.0 Biso 1.0 Cu2+ Cu2 2 1.0 0.29117 0.24661 0.30896 Biso 1.0 Cu2+ P21 2 1.0 0.34286 0.35759 0.74501 Biso 1.0 P O21 2 1.0 -0.1536 0.3443 0.3389 Biso 1.0 O- O22 2 1.0 0.3324 0.6515 0.1695 Biso 1.0 O- O23 2 1.0 0.2303 0.2274 0.0049 Biso 1.0 O- O24 2 1.0 0.3786 0.1498 0.6334 Biso 1.0 O-