#------------------------------------------------------------------------------ #$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $ #$Revision: 177123 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/91/02/5910279.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_5910279 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Pages 118 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _journal_name_full 'The Structure of Crystals' _journal_page_first 118 _journal_page_last 118 _journal_volume 4 _journal_year 1951 _chemical_formula_structural SnCl4Se2O2Cl4 _chemical_formula_sum 'Cl8 O2 Se2 Sn' _space_group_IT_number 15 _symmetry_cell_setting monoclinic _symmetry_Int_Tables_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _audit_creation_date 2006-24-10 _audit_creation_method ; Pages 118 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _audit_update_record 'created by Girish Upreti, Portland State University' _cell_angle_alpha 90 _cell_angle_beta 95.34 _cell_angle_gamma 90 _cell_length_a 9.24 _cell_length_b 9.24 _cell_length_c 16.26 _cell_volume 1382.215 _cod_duplicate_entry 5910084 _cod_original_sg_symbol_H-M 'C 2/c' _cod_original_formula_sum 'Sn Cl4 Se2 O2 Cl4' _cod_database_code 5910279 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z+1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,-y+1/2,z+1/2 loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.00000 0.79880 0.25000 Sn1 0.50000 1.29880 0.25000 Sn2 0.00000 -0.79880 -0.25000 Sn3 -0.50000 -1.29880 -0.25000 Sn4 0.15660 0.06380 0.36950 Se1 0.15660 -0.06380 0.86950 Se2 0.65660 0.56380 0.36950 Se3 0.65660 0.43620 0.86950 Se4 -0.15660 -0.06380 -0.36950 Se5 -0.15660 0.06380 -0.86950 Se6 -0.65660 -0.56380 -0.36950 Se7 -0.65660 -0.43620 -0.86950 Se8 0.43720 0.74080 0.07030 Cl1 0.43720 -0.74080 0.57030 Cl2 0.93720 1.24080 0.07030 Cl3 0.93720 -0.24080 0.57030 Cl4 -0.43720 -0.74080 -0.07030 Cl5 -0.43720 0.74080 -0.57030 Cl6 -0.93720 -1.24080 -0.07030 Cl7 -0.93720 0.24080 -0.57030 Cl8 0.26330 0.44680 0.02180 Cl9 0.26330 -0.44680 0.52180 Cl10 0.76330 0.94680 0.02180 Cl11 0.76330 0.05320 0.52180 Cl12 -0.26330 -0.44680 -0.02180 Cl13 -0.26330 0.44680 -0.52180 Cl14 -0.76330 -0.94680 -0.02180 Cl15 -0.76330 -0.05320 -0.52180 Cl16 0.25910 0.83460 0.25710 Cl17 0.25910 -0.83460 0.75710 Cl18 0.75910 1.33460 0.25710 Cl19 0.75910 -0.33460 0.75710 Cl20 -0.25910 -0.83460 -0.25710 Cl21 -0.25910 0.83460 -0.75710 Cl22 -0.75910 -1.33460 -0.25710 Cl23 -0.75910 0.33460 -0.75710 Cl24 0.00920 0.36520 0.86160 Cl25 0.00920 -0.36520 1.36160 Cl26 0.50920 0.86520 0.86160 Cl27 0.50920 0.13480 1.36160 Cl28 -0.00920 -0.36520 -0.86160 Cl29 -0.00920 0.36520 -1.36160 Cl30 -0.50920 -0.86520 -0.86160 Cl31 -0.50920 -0.13480 -1.36160 Cl32 0.50130 0.47220 0.16460 O1 0.50130 -0.47220 0.66460 O2 1.00130 0.97220 0.16460 O3 1.00130 0.02780 0.66460 O4 -0.50130 -0.47220 -0.16460 O5 -0.50130 0.47220 -0.66460 O6 -1.00130 -0.97220 -0.16460 O7 -1.00130 -0.02780 -0.66460 O8