#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1008463.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_1008463 _chemical_name_systematic ; Decasodium di-$-mue-phosphido-bis(diphosphidostannate(IV)) ; _chemical_formula_structural 'Na10 Sn2 P6' _chemical_formula_sum 'Na10 P6 Sn2' _publ_section_title ; Crystal structure of decasodium di-$-mue- phosphidobis(diphosphidostannate(IV)) ; loop_ _publ_author_name 'Eisenmann, B' 'Klein, J' 'Somer, M' _journal_name_full ; Zeitschrift fuer Kristallographie (149,1979-) ; _journal_coden_ASTM ZEKRDZ _journal_volume 197 _journal_year 1991 _journal_page_first 269 _journal_page_last 270 _cell_length_a 13.400(5) _cell_length_b 7.456(4) _cell_length_c 8.289(5) _cell_angle_alpha 90.(0) _cell_angle_beta 90.2(1) _cell_angle_gamma 90.(0) _cell_volume 828.2 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_Int_Tables_number 14 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2+y,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number Sn4+ 4.000 P3- -3.000 Na1+ 1.000 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 Sn1 Sn4+ 4 e 0.08851(3) 0.14629(10) 0.42654(4) 1. 0 d P1 P3- 4 e 0.23455(10) 0.24354(20) 0.59429(20) 1. 0 d P2 P3- 4 e 0.08186(10) 0.26603(20) 0.14394(20) 1. 0 d P3 P3- 4 e 0.92928(10) 0.2002(2) 0.5913(2) 1. 0 d Na1 Na1+ 4 e 0.74183(20) 0.14482(40) 0.42576(30) 1. 0 d Na2 Na1+ 4 e 0.41789(20) 0.16306(40) 0.42071(30) 1. 0 d Na3 Na1+ 4 e 0.08957(20) 0.01911(40) 0.83504(40) 1. 0 d Na4 Na1+ 4 e 0.0877(3) 0.53685(50) 0.6767(4) 1. 0 d Na5 Na1+ 4 e 0.26067(20) 0.99641(40) 0.1695(4) 1. 0 d _refine_ls_R_factor_all 0.038 _cod_database_code 1008463