#------------------------------------------------------------------------------ #$Date: 2016-01-09 14:42:11 +0200 (Sat, 09 Jan 2016) $ #$Revision: 174156 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542137.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_1542137 loop_ _publ_author_name 'Mansmann, M.' _publ_section_title ; Die Kristallstruktur von Tribariumpentaoxometallaten(IV) und isotyper Verbindungen ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 52 _journal_page_last 56 _journal_volume 339 _journal_year 1965 _chemical_formula_sum 'O5 Si Sr3' _chemical_name_systematic 'Sr3 (Si O4) O' _space_group_IT_number 130 _symmetry_space_group_name_Hall 'P 4ab 2n -1ab' _symmetry_space_group_name_H-M 'P 4/n c c :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.952 _cell_length_b 6.952 _cell_length_c 10.76 _cell_volume 520.034 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Mansmann_ZAACAB_1965_779.cif _cod_data_source_block O5Si1Sr3 _cod_cif_authors_sg_Hall '-P 4a 2ac (x-1/4,y+1/4,z)' _cod_original_cell_volume 520.0341 _cod_chemical_formula_sum_orig 'O5 Si1 Sr3' _cod_database_code 1542137 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x+1/2,z -x,-y,z y+1/2,-x+1/2,z x+1/2,-y+1/2,-z+1/2 y,x,-z+1/2 -x+1/2,y+1/2,-z+1/2 -y,-x,-z+1/2 -x+1/2,-y+1/2,-z y,-x,-z x+1/2,y+1/2,-z -y,x,-z -x,y,z-1/2 -y+1/2,-x+1/2,z-1/2 x,-y,z-1/2 y+1/2,x+1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O1 O-2 0 0.5 0.25 1 0.0 Si1 Si+4 0 0 0.5 1 0.0 O2 O-2 0.169 0.092 0.588 1 0.0 Sr1 Sr+2 0 0.5 0.5 1 0.0 Sr2 Sr+2 0.181 0.181 0.25 1 0.0