#------------------------------------------------------------------------------ #$Date: 2013-05-03 00:20:42 +0300 (Fri, 03 May 2013) $ #$Revision: 85117 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/16/1511637.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_1511637 loop_ _publ_author_name 'Bondareva, O.S.' _publ_section_title ; Utochnennaya kristallicheskaya struktura kubicheskogo karkasnogo tsinkovogo borata Zn4 O (B6 O12) ; _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_page_first 815 _journal_page_last 817 _journal_volume 241 _journal_year 1978 _chemical_formula_sum 'B6 O13 Zn4' _chemical_name_systematic 'Zn4 O (B6 O12)' _space_group_IT_number 217 _symmetry_space_group_name_Hall 'I -4 2 3' _symmetry_space_group_name_H-M 'I -4 3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.478 _cell_length_b 7.478 _cell_length_c 7.478 _cell_volume 418.173 _citation_journal_id_ASTM DANKAS _[local]_cod_data_source_file boron4-x_290.cif _[local]_cod_data_source_block B6O13Zn4 _cod_original_cell_volume 418.1734 _cod_database_code 1511637 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z x,-y,-z -y,-x,z -x,y,-z y,x,z z,x,y x,-z,-y -z,-x,y -x,z,-y z,-x,-y -x,-z,y -z,x,-y x,z,y y,z,x y,-z,-x -z,-y,x -y,z,-x z,y,x -y,-z,x -z,y,-x z,-y,-x x+1/2,y+1/2,z+1/2 y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,z+1/2 -y+1/2,x+1/2,-z+1/2 x+1/2,-y+1/2,-z+1/2 -y+1/2,-x+1/2,z+1/2 -x+1/2,y+1/2,-z+1/2 y+1/2,x+1/2,z+1/2 z+1/2,x+1/2,y+1/2 x+1/2,-z+1/2,-y+1/2 -z+1/2,-x+1/2,y+1/2 -x+1/2,z+1/2,-y+1/2 z+1/2,-x+1/2,-y+1/2 -x+1/2,-z+1/2,y+1/2 -z+1/2,x+1/2,-y+1/2 x+1/2,z+1/2,y+1/2 y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1/2 -z+1/2,-y+1/2,x+1/2 -y+1/2,z+1/2,-x+1/2 z+1/2,y+1/2,x+1/2 -y+1/2,-z+1/2,x+1/2 -z+1/2,y+1/2,-x+1/2 z+1/2,-y+1/2,-x+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 O1 O-2 0 0 0 1 0.0 Zn1 Zn+2 0.1534 0.1534 0.1534 1 0.0 B1 B+3 0.25 0.5 0 1 0.0 O2 O-2 0.141 0.141 0.4148 1 0.0