#------------------------------------------------------------------------------ #$Date: 2017-09-02 23:45:38 +0100 (Sat, 02 Sep 2017) $ #$Revision: 200134 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/25/2002567.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_2002567 loop_ _publ_author_name 'R\"uter, I.' 'M\"uller-Buschbaum, Hk.' _publ_section_title ; Ein Beitrag \"uber BaLaGaO~4~ und BaNdGaO~4~: verwandte Verbindungenzum \b-K~2~SO~4~-Typ sowie \"uber SrLaGaO~4~ mit K~2~NiF~4~-Struktur ; _journal_coden_ASTM ZAACAB _journal_issue 1 _journal_name_full ; Zeitschrift f\"ur Anorganische und Allgemeine Chemie ; _journal_page_first 119 _journal_page_last 124 _journal_paper_doi 10.1002/zaac.19905840110 _journal_volume 584 _journal_year 1990 _chemical_formula_structural 'Sr La (Ga O4)' _chemical_formula_sum 'Ga La O4 Sr' _chemical_name_systematic 'Strontium lanthanum gallate' _space_group_IT_number 139 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.8520(2) _cell_length_b 3.8520(2) _cell_length_c 12.680(1) _cell_volume 188.1 _refine_ls_R_factor_all 0.051 _cod_database_code 2002567 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x,y,z x,-y,z -y,x,z y,-x,z y,x,z -y,-x,z -x,-y,-z x,y,-z x,-y,-z -x,y,-z y,-x,-z -y,x,-z -y,-x,-z y,x,-z 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z 1/2-y,1/2-x,1/2+z 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z 1/2+y,1/2+x,1/2-z 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 Sr1 Sr2+ 4 e 0. 0. 0.3588(2) 0.5 0 d La1 La3+ 4 e 0. 0. 0.3588(2) 0.5 0 d Ga1 Ga3+ 2 a 0. 0. 0. 1. 0 d O1 O2- 4 e 0. 0. 0.168(2) 1. 0 d O2 O2- 4 c 0. 0.5 0. 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Sr2+ 2.000 La3+ 3.000 Ga3+ 3.000 O2- -2.000