#------------------------------------------------------------------------------ #$Date: 2022-07-05 17:38:34 +0300 (Tue, 05 Jul 2022) $ #$Revision: 276569 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/72/1567225.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_1567225 loop_ _publ_author_name 'Udovenko, A. A.' 'Gorbunova, Yu. E.' 'Zemnukhova, L. A.' 'Mikhailov, Yu. N.' 'Davidovich, R. L.' _publ_section_title ; Crystal Structures of Ammonium and Cesium Pentadecafluorotetraantimonates(III) ; _journal_issue 7 _journal_name_full 'Russian Journal of Coordination Chemistry' _journal_page_first 479 _journal_page_last 482 _journal_paper_doi 10.1023/A:1011385531672 _journal_volume 27 _journal_year 2001 _chemical_formula_moiety 'Cs3 F15 Sb4' _chemical_formula_sum 'Cs3 F15 Sb4' _chemical_name_systematic ; Tricesium pentadecafluorotetraantimonate(III) ; _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _symmetry_Int_Tables_number 14 _symmetry_space_group_name_H-M 'P 1 21/c 1' _audit_creation_method 'manually at INEOS RAS' _cell_angle_alpha 90 _cell_angle_beta 117.08(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.079(2) _cell_length_b 19.116(8) _cell_length_c 8.162(2) _cell_volume 1122.3(6) _diffrn_ambient_temperature 295 _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _exptl_crystal_density_diffrn 4.549 _exptl_crystal_F_000 2016 _refine_ls_R_factor_gt 0.036 _cod_data_source_file R21-22old.cif _cod_data_source_block compound_R22old _cod_original_cell_volume 1709.6(8) _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 1567225 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,1/2+y,1/2-z 3 -x,-y,-z 4 x,-1/2-y,-1/2+z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cs(1) Cs 0.3539(1) 0.28546(3) 0.8650(1) 0.0155(2) Cs(2) Cs 0.1751(1) 0.64656(3) 0.1674(1) 0.0184(2) Cs(3) Cs 0.2096(1) 0.56839(3) 0.7083(1) 0.0202(2) Sb(1) Sb 0.2811(1) 0.43194(3) -0.1911(1) 0.0121(2) Sb(2) Sb 0.3417(1) 0.36262(3) 0.3363(1) 0.0121(2) Sb(3) Sb 0.7549(1) 0.49987(3) 0.7498(1) 0.0128(2) Sb(4) Sb 0.8654(1) 0.29104(3) 0.3708(1) 0.0137(2) F(1) F 0.232(1) 0.4388(4) -0.448(1) 0.034(3) F(2) F 0.477(1) 0.3893(3) -0.156(1) 0.029(3) F(3) F 0.107(1) 0.3817(3) -0.289(1) 0.030(3) F(4) F 0.319(2) 0.3973(4) 0.088(2) 0.055(6) F(5) F 0.280(1) 0.3113(3) 0.172(1) 0.025(3) F(6) F 0.080(1) 0.3721(4) 0.241(1) 0.041(3) F(7) F 0.315(2) 0.3163(4) 0.497(1) 0.048(5) F(8) F 0.966(1) 0.4782(3) 0.692(1) 0.028(3) F(9) F 0.622(1) 0.4524(3) 0.575(1) 0.033(3) F(10) F 0.876(2) 0.4571(3) 0.950(1) 0.036(3) F(11) F 0.545(1) 0.4917(4) 0.822(2) 0.041(4) F(12) F 0.684(1) 0.3336(3) 0.417(1) 0.036(3) F(13) F 0.744(1) 0.3203(3) 0.137(1) 0.029(3) F(14) F 0.663(1) 0.2488(3) 0.302(1) 0.026(3) F(15) F 0.948(1) 0.2445(4) 0.239(2) 0.038(4)