#------------------------------------------------------------------------------ #$Date: 2008-01-26 17:25:03 +0000 (Sat, 26 Jan 2008) $ #$Revision: 20 $ #$URL: svn://www.crystallography.net/cod/cif/2/2005542.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_2005542 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 2381 _journal_page_last 2384 _publ_section_title ; Redetermination of the Structure of La~2~Cu~2~O~5~ by Neutron Powder Diffraction ; _chemical_formula_sum 'La2 Cu2 O5' _chemical_formula_weight 484.90 _symmetry_cell_setting orthorhombic loop_ _symmetry_equiv_pos_as_xyz '+x, +y, +z' '-x, -y, +z' '1/2+x, 1/2-y, -z' '1/2-x, 1/2+y, -z' '-x, -y, -z' '+x, +y, -z' '1/2-x, 1/2+y, +z' '1/2+x, 1/2-y, +z' _symmetry_space_group_name_H-M 'P b a m' _cell_length_a 5.53528(14) _cell_length_b 10.4490(3) _cell_length_c 3.87265(8) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 223.987(10) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 7.190 _cell_measurement_temperature 10 loop_ _atom_site_label _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_B_iso_or_equiv La h 0.3119(3) 0.3603(2) .5 0.41(4) Cu g 0.2922(4) 0.1060(2) 0 0.23(5) O1 h 0.2875(5) 0.1015(3) .5 0.98(5) O2 g 0.0767(4) 0.2901(2) 0 0.35(5) O3 a 0 0 0 0.65(8)