#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2003020.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_2003020 _journal_name_full 'Acta Crystallographica, Section B' _journal_year 1998 _journal_volume B54 _journal_page_first 652 _journal_page_last 656 _chemical_formula_moiety 'Ba B2 O2' _chemical_formula_sum 'Ba B2 O2' _symmetry_cell_setting trigonal _symmetry_space_group_name_H-M 'R 3' _symmetry_space_group_name_Hall 'R 3' _cell_length_a 12.532 _cell_length_b 12.532 _cell_length_c 12.717 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume ? _cell_formula_units_Z 6 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.710 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba1 .33004 .02486 .000006 Ba2 .33014 .30632 .50008 B1 .76709 .45495 .03344 B2 .54679 .23537 .52875 B3 .37631 .79704 .12229 B4 .20466 .62433 .62586 O1 .64450 .42820 .03200 O2 .57200 .35501 .53125 O3 .41953 .91340 .12979 O4 .08577 .58052 .63140 O5 .85833 .57103 .02440 O6 .86018 .28979 .52259 O7 .25216 .70754 .12073 O8 .29165 .74946 .62284