#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/88/1008840.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_1008840 _chemical_name_systematic ; Tetrasilver tetrahydrogen 14-oxotetraarsenate ; _chemical_formula_structural 'Ag4 H4 As4 O14' _chemical_formula_sum 'Ag4 As4 H4 O14' _[local]_cod_chemical_formula_sum_orig 'H4 Ag4 As4 O14' _publ_section_title ; Structure cristalline de Ag4 H4 As4 O14: Un nouvel exemple d'anion As4 O14 ; loop_ _publ_author_name 'Boudjada, A' 'Averbuch-Pouchot, M T' _journal_name_full 'Journal of Solid State Chemistry' _journal_coden_ASTM JSSCBI _journal_volume 51 _journal_year 1984 _journal_page_first 76 _journal_page_last 82 _cell_length_a 7.839(5) _cell_length_b 12.428(5) _cell_length_c 6.556(2) _cell_angle_alpha 90 _cell_angle_beta 109.30(2) _cell_angle_gamma 90 _cell_volume 602.8 _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 Ag1+ 1.000 As5+ 5.000 O2- -2.000 H1+ 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 Ag1 Ag1+ 4 e 0.0229(1) 0.22146(9) 0.1322(1) 1. 0 d Ag2 Ag1+ 4 e 0.1721(1) 0.54274(8) 0.2442(2) 1. 0 d As1 As5+ 4 e 0.4414(1) 0.29249(8) 0.1147(1) 1. 0 d As2 As5+ 4 e 0.6634(1) 0.50301(8) 0.1695(1) 1. 0 d O1 O2- 4 e 0.4313(9) 0.5530(6) 0.106(1) 1. 0 d O2 O2- 4 e 0.7221(10) 0.5628(6) 0.433(1) 1. 0 d O3 O2- 4 e 0.8831(9) 0.4534(7) 0.195(1) 1. 0 d O4 O2- 4 e 0.6068(9) 0.3759(6) 0.282(1) 1. 0 d O5 O2- 4 e 0.272(1) 0.3712(6) -0.053(1) 1. 0 d O6 O2- 4 e 0.522(1) 0.2097(6) -0.029(1) 1. 0 d O7 O2- 4 e 0.3503(10) 0.2306(6) 0.282(1) 1. 0 d H1 H1+ 2 ? -1. -1. -1. 4. 0 dum _refine_ls_R_factor_all 0.045 _cod_database_code 1008840 _journal_paper_doi 10.1016/0022-4596(84)90317-7