#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/4/4000479.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_4000479 _journal_name_full 'Chemistry of Materials' _journal_year 2004 _chemical_formula_sum "Ga0.35 Ge0.15 La O2.33" _chemical_formula_weight 211.40 _cell_formula_units_Z 16 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x,+y+1/2,-z+1/2 -1 -x,-y,-z -2 +x,-y+1/2,+z+1/2 _cell_length_a 8.06422(17) _cell_length_b 11.15783(27) _cell_length_c 11.6910(5) _cell_angle_alpha 90.0 _cell_angle_beta 110.175(5) _cell_angle_gamma 90.0 _cell_volume 987.40308 loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity GA Ga1 0.1585(17) 0.1896(14) 0.1240(13) 0.7 Uiso 0.016(4) 4 GA Ga2 0.6781(22) 0.1932(13) 0.1243(13) 0.7 Uiso 0.020(4) 4 LA La1 0.5272(24) 0.0910(15) 0.7964(13) 1.0 Uiso 0.020(4) 4 LA La2 0.0325(19) 0.0871(13) 0.8026(11) 1.0 Uiso 0.0107(33) 4 LA La3 0.3463(19) 0.1280(12) 0.4234(12) 1.0 Uiso 0.0061(30) 4 LA La4 0.8411(22) 0.1246(12) 0.4262(12) 1.0 Uiso 0.0069(33) 4 O O1 0.7951(25) 0.2231(18) 0.7598(19) 1.0 Uiso 0.030(6) 4 O O2 0.2371(23) 0.2099(15) 0.7586(15) 1.0 Uiso 0.016(4) 4 O O3 0.2154(27) 0.0409(12) 0.1847(11) 1.0 Uiso 0.009(4) 4 O O4 0.0966(26) 0.2345(22) 0.9659(16) 1.0 Uiso 0.021(5) 4 O O5 0.440(4) 0.2224(20) 0.1232(21) 0.76(4) Uiso 0.0343(30) 4 O O6 0.613(4) 0.2301(25) 0.9770(20) 1.0 Uiso 0.040(6) 4 O O7 0.7120(35) 0.0368(16) 0.1574(15) 1.0 Uiso 0.044(6) 4 O O8 0.0868(29) 0.0010(17) 0.4006(19) 1.0 Uiso 0.021(5) 4 O O9 0.5721(23) 0.0052(13) 0.3948(16) 1.0 Uiso -0.0023(35) 4 GE Ge1 0.1585(17) 0.1896(14) 0.1240(13) 0.3 Uiso 0.016(4) 4 GE Ge2 0.6781(22) 0.1932(13) 0.1243(13) 0.3 Uiso 0.020(4) 4 O O10 0.072(7) 0.7474(28) 0.3859(32) 0.54(4) Uiso 0.0343(30) 4 _cod_database_code 4000479