#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/07/1510733.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_1510733 loop_ _publ_author_name 'Hammerschmidt, A.' 'Stork, L.' 'Kueper, J.' 'Krebs, B.' _publ_section_title ; Na2 B2 Se7, K2 B2 S7 und K2 B2 Se7: Drei Perchalkogenoborate mit neuem polymeren Anionengeruest ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1898 _journal_page_last 1904 _journal_paper_doi 10.1002/zaac.19946201110 _journal_volume 620 _journal_year 1994 _chemical_formula_sum 'B2 K2 S7' _chemical_name_systematic 'K2 (B2 (S2)3 S)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 122.45 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 14.7404 _cell_length_b 6.827 _cell_length_c 11.66 _cell_volume 990.166 _citation_journal_id_ASTM ZAACAB _cod_data_source_file boron_222.cif _cod_data_source_block B2K2S7 _cod_original_cell_volume 990.1663 _cod_database_code 1510733 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_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 S3 S 0.76809 0.38066 0.15878 1 0.0 K1 K 0.60302 0.73581 0.02266 1 0.0 S2 S 0.63648 0.20684 0.02775 1 0.0 S4 S 0.92166 0.02079 0.22898 1 0.0 S1 S 0 0.4565 0.25 1 0.0 B1 B 0.8836 0.2754 0.1482 1 0.0