#------------------------------------------------------------------------------ #$Date: 2013-05-02 19:07:26 +0300 (Thu, 02 May 2013) $ #$Revision: 84310 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/09/1510987.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_1510987 loop_ _publ_author_name 'Bluhm, K.' 'Schaefer, J.' _publ_section_title ; Ein neues Kupfercobaltboratoxid mit isolierten B2O5-Baugruppen: Cu2Co(B2O5)O ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1051 _journal_page_last 1055 _journal_volume 620 _journal_year 1994 _chemical_formula_sum 'B2 Co Cu2 O6' _chemical_name_systematic 'Cu2 Co O (B2 O5)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 93.67 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 3.225 _cell_length_b 14.847 _cell_length_c 9.1171 _cell_volume 435.646 _citation_journal_id_ASTM ZAACAB _[local]_cod_data_source_file boron_71.cif _[local]_cod_data_source_block B2Co1Cu2O6 _[local]_cod_chemical_formula_sum_orig 'B2 Co1 Cu2 O6' _cod_original_cell_volume 435.6459 _cod_database_code 1510987 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-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 O4 O-2 0.682 0.3828 0.0398 1 0.0 B1 B+3 0.1843 0.3471 0.4065 1 0.0 B2 B+3 0.8559 0.42 0.1655 1 0.0 Cu1 Cu+2 0.3096 0.54306 0.36299 1 0.0 Co1 Co+2 0.1896 0.36367 0.87542 1 0.0 O2 O-2 0.3191 0.845 0.7611 1 0.0 O1 O-2 0.2252 0.267 0.4738 1 0.0 Cu2 Cu+2 0.3302 0.742 0.87736 1 0.0 O6 O-2 0.9912 0.3468 0.2623 1 0.0 O3 O-2 0.3155 0.4267 0.4634 1 0.0 O5 O-2 0.1029 0.4952 0.7931 1 0.0