#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007030.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_1007030 loop_ _publ_author_name 'Durif, A' 'Averbuch-Pouchot, M T' _publ_section_title ; Structure du dichromate d'argent: Ag~2~ Cr~2~ O~7~ ; _journal_coden_ASTM ACBCAR _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 3335 _journal_page_last 3337 _journal_paper_doi 10.1107/S0567740878010821 _journal_volume 34 _journal_year 1978 _chemical_formula_structural 'Ag2 Cr2 O7' _chemical_formula_sum 'Ag2 Cr2 O7' _chemical_name_systematic 'Silver dichromate' _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_Int_Tables_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 110.82(3) _cell_angle_beta 96.11(3) _cell_angle_gamma 91.05(3) _cell_formula_units_Z 2 _cell_length_a 6.968(5) _cell_length_b 7.148(5) _cell_length_c 6.544(5) _cell_volume 302.4 _exptl_crystal_density_meas 4.74 _refine_ls_R_factor_all 0.037 _cod_database_code 1007030 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z 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+ 2 i 0.15444(3) 0.18515(3) 0.75394(4) 1. 0 d Ag2 Ag1+ 2 i 0.63570(3) 0.45340(3) 0.73456(4) 1. 0 d Cr1 Cr6+ 2 i 0.33748(5) 0.01729(6) 0.23988(6) 1. 0 d Cr2 Cr6+ 2 i 0.84542(6) 0.31093(6) 0.20193(7) 1. 0 d O1 O2- 2 i 0.7464(3) 0.0602(3) 0.0467(3) 1. 0 d O2 O2- 2 i 0.4322(3) 0.2465(3) 0.3297(4) 1. 0 d O3 O2- 2 i 0.4961(3) 0.8581(3) 0.2655(4) 1. 0 d O4 O2- 2 i 0.1520(3) -0.0005(4) 0.3649(4) 1. 0 d O5 O2- 2 i 0.7003(3) 0.4747(3) 0.1529(4) 1. 0 d O6 O2- 2 i 0.0541(3) 0.3343(3) 0.1170(4) 1. 0 d O7 O2- 2 i 0.8680(4) 0.3311(3) 0.4565(4) 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Ag1+ 1.000 Cr6+ 6.000 O2- -2.000