#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/67/1526708.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_1526708 loop_ _publ_author_name 'Kokunov, Yu.V.' 'Detkov, D.G.' 'Ershova, M.M.' 'Gorbunova, Yu.E.' 'Mikhailov, Yu.N.' _publ_section_title ; Synthesis and crystal structure of calcium trifluorostannate(II) ; _journal_name_full 'Doklady Akad. Nauk' _journal_page_first 635 _journal_page_last 637 _journal_volume 376 _journal_year 2001 _chemical_formula_sum 'Ca F6 Sn2' _chemical_name_systematic 'Ca (Sn F3)2' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 98.72 _cell_angle_beta 101.94 _cell_angle_gamma 92.65 _cell_formula_units_Z 2 _cell_length_a 4.419 _cell_length_b 7.191 _cell_length_c 9.834 _cell_volume 301.226 _citation_journal_id_ASTM DAKNEQ _cod_data_source_file Kokunov_DAKNEQ_2001_990.cif _cod_data_source_block Ca1F6Sn2 _cod_original_cell_volume 301.2259 _cod_original_formula_sum 'Ca1 F6 Sn2' _cod_database_code 1526708 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Sn1 Sn+2 0.0145 0.27045 0.36672 1 0.0 Sn2 Sn+2 0.6348 0.20977 0.73009 1 0.0 F4 F-1 0.0981 0.2121 0.8241 1 0.0 F6 F-1 0.09 0.5544 0.3854 1 0.0 F3 F-1 0.638 0.4214 0.8969 1 0.0 Ca1 Ca+2 0.6038 0.7447 -0.05316 1 0.0 F5 F-1 -0.0557 0.2644 0.1467 1 0.0 F1 F-1 0.611 0.0434 0.89 1 0.0 F2 F-1 0.536 0.3127 0.306 1 0.0