#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/95/1509551.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_1509551 loop_ _publ_author_name 'Daub, M.' 'Harms, W.' 'Roehr, C.' 'Duerr, I.' 'Burggraf, F.' _publ_section_title ; Ca Ag - Sr Ag - Ba Ag: Between CrB and FeB structure type ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 2255 _journal_page_last 2266 _journal_volume 634 _journal_year 2008 _chemical_formula_sum 'Ag Sr' _chemical_name_systematic 'Sr Ag' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 20 _cell_length_a 41.315 _cell_length_b 4.7879 _cell_length_c 6.3881 _cell_volume 1263.643 _citation_journal_id_ASTM ZAACAB _cod_data_source_file silver1-2_547.cif _cod_data_source_block Ag1Sr1 _cod_original_formula_sum 'Ag1 Sr1' _cod_database_code 1509551 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-y-1/2,z 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 Sr5 Sr 0.064 0.25 0.3671 1 0.0 Sr1 Sr 0.26413 0.25 0.8927 1 0.0 Sr2 Sr 0.36392 0.25 0.1333 1 0.0 Ag4 Ag 0.5929 0.25 0.62348 1 0.0 Ag3 Ag 0.19308 0.25 0.63732 1 0.0 Sr3 Sr 0.46406 0.25 0.3673 1 0.0 Ag1 Ag 0.49307 0.25 0.87713 1 0.0 Ag2 Ag 0.29291 0.25 0.38306 1 0.0 Sr4 Sr 0.16392 0.25 0.1268 1 0.0 Ag5 Ag 0.39314 0.25 0.6227 1 0.0