#------------------------------------------------------------------------------ #$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $ #$Revision: 91933 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/06/2000605.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2000605 loop_ _publ_author_name 'Preut, H.' 'Lennhoff, D.' 'Minkwitz, R.' _publ_section_title ; Structure of tetrachlorophosphonium hexafluoroantimonate ; _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1648 _journal_page_last 1650 _journal_volume 48 _journal_year 1992 _chemical_formula_sum 'Cl4 F6 P Sb' _chemical_formula_weight 408.526 _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall 'P 4a' _symmetry_space_group_name_H-M 'P 4/n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.568(3) _cell_length_b 8.568(3) _cell_length_c 6.531(5) _cell_volume 479.4(4) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu 4.22 _exptl_crystal_density_diffrn 2.830 _exptl_crystal_F_000 376 _[local]_cod_data_source_file bx0585.cif _[local]_cod_data_source_block bx0585a _[local]_cod_cif_authors_sg_H-M P4/n _[local]_cod_chemical_formula_sum_orig 'Cl4 F6 P1 Sb1' _cod_database_code 2000605 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Sb(1) .75 .75 .84610(10) .0206 Cl(1) .0719(2) .7059(2) .3288(3) .0361 P(1) .25 .75 .5 .0241 F(1) .9523(6) .6698(7) .8461(8) .0485 F(2) .75 .75 .5520(10) .0566 F(3) .75 .75 1.1390(10) .0458 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance P(1) Cl(1) 1.929(2) Sb(1) F(1) 1.864(5) loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle Cl(1) P(1) Cl(1) 109.15(8) F(1) Sb(1) F(1) 90.0 _journal_paper_doi 10.1107/S0108270192001173