#------------------------------------------------------------------------------ #$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: svn://www.crystallography.net/cod/cif/1/00/89/1008938.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_1008938 loop_ _publ_author_name 'Burns, J H' 'Levy, H A' 'Keller, O L' _publ_section_title ; The crystal structure of rubidium hexafluoroprotactinate Rb Pa F6 ; _journal_coden_ASTM ACBCAR _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 1675 _journal_page_last 1680 _journal_paper_doi 10.1107/S0567740868004838 _journal_volume 24 _journal_year 1968 _chemical_formula_structural 'Rb Pa F6' _chemical_formula_sum 'F6 Pa Rb' _chemical_name_systematic 'Rubidium hexafluoroprotactinate' _space_group_IT_number 67 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 67 _symmetry_space_group_name_Hall '-C 2a 2' _symmetry_space_group_name_H-M 'C m m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.0483 _cell_length_b 12.025 _cell_length_c 5.8608 _cell_volume 567.2 _refine_ls_R_factor_all 0.048 _cod_database_code 1008938 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,-z 1/2-x,y,-z 1/2-x,-y,z -x,-y,-z -x,y,z 1/2+x,-y,z 1/2+x,y,-z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z -x,1/2+y,-z -x,1/2-y,z 1/2-x,1/2-y,-z 1/2-x,1/2+y,z x,1/2-y,z x,1/2+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 Rb1 Rb1+ 4 g 0. 0.25 0.4532(6) 1. 0 d Pa1 Pa5+ 4 e 0.25 0.25 0. 1. 0 d F1 F1- 8 m 0. 0.4294(16) 0.1459(25) 1. 0 d F2 F1- 16 o 0.3059(17) 0.3796(11) 0.2476(24) 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Rb1+ 1.000 Pa5+ 5.000 F1- -1.000