#------------------------------------------------------------------------------ #$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $ #$Revision: 86000 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/41/9014106.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_9014106 loop_ _publ_author_name 'Kondrashev, Y. D.' 'Zaslavskii, A. I.' _publ_section_title ; The structure of the modifications of manganese oxide ; _journal_name_full 'Izvestiya Akademii Nauk SSSR' _journal_page_first 179 _journal_page_last 186 _journal_volume 15 _journal_year 1951 _chemical_formula_sum 'Mn0.5 O' _chemical_name_mineral Akhtenskite _space_group_IT_number 186 _symmetry_space_group_name_Hall 'P 6c -2c' _symmetry_space_group_name_H-M 'P 63 m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 2.786 _cell_length_b 2.786 _cell_length_c 4.412 _cell_volume 29.657 _database_code_amcsd 0017794 _exptl_crystal_density_diffrn 4.868 _[local]_cod_chemical_formula_sum_orig 'Mn.5 O' _cod_database_code 9014106 loop_ _space_group_symop_operation_xyz x,y,z -x,-x+y,1/2+z x-y,x,1/2+z -y,-x,z -y,x-y,z x-y,-y,1/2+z -x,-y,1/2+z x,x-y,z -x+y,-x,z y,x,1/2+z y,-x+y,1/2+z -x+y,y,z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn 0.00000 0.00000 0.00000 0.50000 O 0.33333 0.66667 0.25000 1.00000