#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1001823.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_1001823 _chemical_name_systematic 'Dilanthanum magnesium platinate' _chemical_formula_structural 'La2 Mg (Pt O6)' _chemical_formula_sum 'La2 Mg O6 Pt' _publ_section_title ; New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) ; loop_ _publ_author_name 'Ouchetto, K' 'Archaimbault, F' 'Choisnet, J' 'Et-Tabirou, M' _journal_name_full 'Materials Chemistry and Physics' _journal_coden_ASTM MCHPDR _journal_volume 51 _journal_year 1997 _journal_page_first 117 _journal_page_last 124 _cell_length_a 5.5919(2) _cell_length_b 5.6277(2) _cell_length_c 7.9140(3) _cell_angle_alpha 90 _cell_angle_beta 90.(0) _cell_angle_gamma 90 _cell_volume 249.0 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_Int_Tables_number 14 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2+y,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number La3+ 3.000 Mg2+ 2.000 Pt4+ 4.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag La1 La3+ 4 e 0.5062(9) 0.5396(1) 0.2493(2) 1. 0 d Mg1 Mg2+ 2 d 0.5 0. 0. 0.9975(5) 0 d Pt1 Pt4+ 2 d 0.5 0. 0. 0.0025(5) 0 d Mg2 Mg2+ 2 c 0. 0.5 0. 0.0025(5) 0 d Pt2 Pt4+ 2 c 0. 0.5 0. 0.9975(5) 0 d O1 O2- 4 e 0.197(2) 0.211(2) 0.937(6) 1. 0 d O2 O2- 4 e 0.286(3) 0.701(2) 0.938(6) 1. 0 d O3 O2- 4 e 0.398(3) 0.981(2) 0.257(2) 1. 0 d _refine_ls_R_factor_all 0.048