#------------------------------------------------------------------------------ #$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $ #$Revision: 282053 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/12/9001236.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9001236 loop_ _publ_author_name 'Post, J. E.' 'Bish, D. L.' _publ_section_title ; Rietveld refinement of the coronadite structure sample from Broken Hill ; _journal_name_full 'American Mineralogist' _journal_page_first 913 _journal_page_last 917 _journal_volume 74 _journal_year 1989 _chemical_formula_sum 'Mn2 O4 Pb0.35' _chemical_name_mineral Coronadite _space_group_IT_number 12 _symmetry_space_group_name_Hall '-I 2y' _symmetry_space_group_name_H-M 'I 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 90.20 _cell_angle_gamma 90 _cell_length_a 9.913 _cell_length_b 2.8652 _cell_length_c 9.843 _cell_volume 279.566 _database_code_amcsd 0001263 _exptl_crystal_density_diffrn 5.854 _cod_original_formula_sum 'Mn2 Pb.35 O4' _cod_database_code 9001236 loop_ _space_group_symop_operation_xyz x,y,z 1/2+x,1/2+y,1/2+z x,-y,z 1/2+x,1/2-y,1/2+z -x,y,-z 1/2-x,1/2+y,1/2-z -x,-y,-z 1/2-x,1/2-y,1/2-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn1 0.83700 0.00000 0.32700 1.00000 Mn2 0.33800 0.00000 0.13800 1.00000 Pb 0.00000 0.21400 0.00000 0.35000 O1 0.63900 0.00000 0.31100 1.00000 O2 0.63600 0.00000 0.04200 1.00000 O3 0.28600 0.00000 0.33600 1.00000 O4 0.04500 0.00000 0.32300 1.00000