#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009194.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_9009194 _space_group_IT_number 59 _symmetry_space_group_name_Hall 'P 2 2ab -1ab' _symmetry_space_group_name_H-M 'P m m n :1' _[local]_cod_cif_authors_sg_H-M 'P m m n' loop_ _publ_author_name 'Wyckoff R W G' _publ_section_title ; Second edition. Interscience Publishers, New York, New York ; _journal_name_full 'Crystal Structures' _journal_page_first 296 _journal_page_last 298 _journal_volume 1 _journal_year 1963 _chemical_formula_sum 'Al Cl O' _[local]_cod_chemical_formula_sum_orig 'Al O Cl' _chemical_name_mineral AlOCl _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 3.62 _cell_length_b 3.61 _cell_length_c 7.67 _cell_volume 100.233 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,z 1/2-x,1/2+y,-z -x,y,z 1/2+x,1/2-y,-z 1/2+x,1/2+y,-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 Al 0.00000 0.50000 0.07000 O 0.00000 0.00000 -0.06000 Cl 0.00000 0.00000 0.30000