#------------------------------------------------------------------------------ #$Date: 2015-10-13 20:51:00 +0300 (Tue, 13 Oct 2015) $ #$Revision: 167635 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/89/1538918.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_1538918 loop_ _publ_author_name 'Mueller, B.G.' _publ_section_title ; Neue komplexe Fluoride mit Ag2+ und Pd2+: Na M(II) Zr2 F11 (M(II) = Ag, Pd) und Ag Pd Zr2 F11 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 205 _journal_page_last 211 _journal_volume 553 _journal_year 1987 _chemical_formula_sum 'F11 Na Pd Zr2' _chemical_name_systematic 'Na Pd Zr2 F11' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 106.72 _cell_angle_beta 112.24 _cell_angle_gamma 97.98 _cell_formula_units_Z 1 _cell_length_a 7.91 _cell_length_b 5.746 _cell_length_c 5.745 _cell_volume 222.251 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Mueller_ZAACAB_1987_1889.cif _cod_data_source_block F11Na1Pd1Zr2 _cod_original_cell_volume 222.2507 _cod_chemical_formula_sum_orig 'F11 Na1 Pd1 Zr2' _cod_database_code 1538918 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-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 Na1 Na+1 0 0 0 1 0.0 F2 F-1 0.3479 0.7396 0.6087 1 0.0 F1 F-1 0.5 0.5 0 1 0.0 F4 F-1 0.6985 0.2033 0.9189 1 0.0 Zr1 Zr+4 0.2313 0.4993 0.732 1 0.0 Pd1 Pd+2 0.5 0 0.5 1 0.0 F6 F-1 0.9998 0.3344 0.3349 1 0.0 F3 F-1 0.3011 0.2207 0.5037 1 0.0 F5 F-1 0.1098 0.2662 0.8434 1 0.0