#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/02/1000271.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_1000271 _chemical_name_systematic 'Octaammonium 34-oxo-decamolybdate' _chemical_formula_structural '(N H4)8 Mo10 O34' _chemical_formula_sum 'H32 Mo10 N8 O34' _publ_section_title ; Isotypism of the triclinic Tl~8~Mo~10~O~34~ and (NH~4~)~8~Mo~10~O~34~ molybdates ; loop_ _publ_author_name 'Benchrifa, R' 'de Pape, R' _journal_name_full 'Acta Crystallographica C (39,1983-)' _journal_coden_ASTM ACSCEE _journal_volume 46 _journal_year 1990 _journal_page_first 728 _journal_page_last 728 _cell_length_a 7.750(1) _cell_length_b 11.038(1) _cell_length_c 12.421(1) _cell_angle_alpha 98.52(1) _cell_angle_beta 119.87(1) _cell_angle_gamma 99.18(1) _cell_volume 876.9 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'P -1' _symmetry_Int_Tables_number 2 _symmetry_cell_setting triclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_type_symbol _atom_type_oxidation_number Mo6+ 6.000 O2- -2.000 N3- -3.000 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 Mo1 Mo6+ 2 i 0.0927(3) 0.2459(2) 0.1707(2) 1. 0 d Mo2 Mo6+ 2 i 0.4589(3) 0.5765(2) 0.2770(2) 1. 0 d Mo3 Mo6+ 2 i 0.2339(3) 0.4758(2) 0.4258(2) 1. 0 d Mo4 Mo6+ 2 i 0.6425(3) 0.8097(2) 0.5373(2) 1. 0 d Mo5 Mo6+ 2 i -0.2275(3) -0.0481(2) 0.1608(2) 1. 0 d O1 O2- 2 i 0.109(1) 0.299(1) 0.360(1) 1. 0 d O2 O2- 2 i -0.058(2) 0.074(2) 0.140(1) 1. 0 d O3 O2- 2 i 0.354(1) 0.191(1) 0.317(1) 1. 0 d O4 O2- 2 i 0.290(1) 0.421(1) 0.272(1) 1. 0 d O5 O2- 2 i 0.164(2) 0.223(1) 0.059(1) 1. 0 d O6 O2- 2 i -0.117(2) 0.303(1) 0.101(2) 1. 0 d O7 O2- 2 i 0.474(1) 0.608(1) 0.461(1) 1. 0 d O8 O2- 2 i 0.527(2) 0.511(1) 0.171(1) 1. 0 d O9 O2- 2 i 0.254(2) 0.631(1) 0.181(1) 1. 0 d O10 O2- 2 i 0.284(1) 0.509(1) 0.583(1) 1. 0 d O11 O2- 2 i 0.659(1) 0.728(1) 0.383(1) 1. 0 d O12 O2- 2 i 0.039(1) 0.541(1) 0.345(1) 1. 0 d O13 O2- 2 i 0.844(2) 0.939(1) 0.584(2) 1. 0 d O14 O2- 2 i 0.421(1) 0.853(1) 0.445(2) 1. 0 d O15 O2- 2 i -0.111(2) -0.167(2) 0.210(1) 1. 0 d O16 O2- 2 i -0.303(3) 0.018(2) 0.264(2) 1. 0 d O17 O2- 2 i -0.450(2) -0.121(1) 0.016(2) 1. 0 d N1 N3- 2 i 0.358(3) 0.724(2) 0.768(2) 1. 0 d N2 N3- 2 i 0.293(3) 0.908(2) 0.199(2) 1. 0 d N3 N3- 2 i 0.078(3) 0.825(2) 0.475(2) 1. 0 d N4 N3- 2 i 0.179(3) 0.422(2) 0.091(2) 1. 0 d H1 H1+ 2 ? -1. -1. -1. 16. 0 dum _cod_database_code 1000271