data_global _amcsd_formula_title 'Ba Cr2 O7' loop_ _publ_author_name 'Blum D' 'Averbuch-Pouchot M' 'Guitel J' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 35 _journal_year 1979 _journal_page_first 2685 _journal_page_last 2687 _publ_section_title ; Structure du Dichromate de Baryum, Form alpha _cod_database_code 1008169 ; _database_code_amcsd 0016109 _chemical_formula_sum 'Ba Cr2 O7' _cell_length_a 16.31 _cell_length_b 16.67 _cell_length_c 9.474 _cell_angle_alpha 90 _cell_angle_beta 95.53 _cell_angle_gamma 90 _cell_volume 2563.876 _exptl_crystal_density_diffrn 3.661 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba1 0.00000 0.45992 0.25000 Ba2 0.00000 0.04261 0.25000 Ba3 0.20500 0.75605 0.71895 Cr1 0.17106 0.42198 0.50280 Cr2 0.30709 0.44080 0.00700 Cr3 0.41862 0.32566 0.45930 Cr4 0.43633 0.19075 0.06140 O1 0.40410 0.02080 0.45270 O2 0.13610 0.36310 0.37500 O3 0.29050 0.12650 0.36470 O4 0.24670 0.48210 0.42880 O5 0.13660 0.09910 0.11370 O6 0.24520 0.37360 0.06150 O7 0.36230 0.47750 0.13390 O8 0.07780 0.17960 0.36830 O9 0.45790 0.41140 0.41790 O10 0.32570 0.31550 0.40020 O11 0.47430 0.24580 0.38980 O12 0.35420 0.24300 0.08390 O13 0.06130 0.32860 0.10780 O14 0.43600 0.10890 0.15130