#------------------------------------------------------------------------------ #$Date: 2023-03-26 10:30:59 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282067 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/66/9006660.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_9006660 loop_ _publ_author_name 'Zhang, J.' _publ_section_title ; Room temperature compressibilities of MnO and CdO: further examination of the role of cation type in bulk modulus systematics Sample from Run #1: P = 0.68 GPa ; _journal_name_full 'Physics and Chemistry of Minerals' _journal_page_first 644 _journal_page_last 648 _journal_paper_doi 10.1007/s002690050229 _journal_volume 26 _journal_year 1999 _chemical_formula_sum 'Mn O' _chemical_name_mineral Manganosite _space_group_IT_number 225 _symmetry_space_group_name_Hall '-F 4 2 3' _symmetry_space_group_name_H-M 'F m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 4.4397 _cell_length_b 4.4397 _cell_length_c 4.4397 _cell_volume 87.511 _database_code_amcsd 0008242 _diffrn_ambient_pressure 6.8e+05 _exptl_crystal_density_diffrn 5.384 _cod_original_sg_symbol_H-M 'F m 3 m' _cod_database_code 9006660 loop_ _space_group_symop_operation_xyz x,y,z x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z z,-x,y z,1/2-x,1/2+y 1/2+z,-x,1/2+y 1/2+z,1/2-x,y -y,z,-x -y,1/2+z,1/2-x 1/2-y,z,1/2-x 1/2-y,1/2+z,-x x,-y,z x,1/2-y,1/2+z 1/2+x,-y,1/2+z 1/2+x,1/2-y,z -z,x,-y -z,1/2+x,1/2-y 1/2-z,x,1/2-y 1/2-z,1/2+x,-y y,-z,x y,1/2-z,1/2+x 1/2+y,-z,1/2+x 1/2+y,1/2-z,x -x,y,-z -x,1/2+y,1/2-z 1/2-x,y,1/2-z 1/2-x,1/2+y,-z x,-z,-y x,1/2-z,1/2-y 1/2+x,-z,1/2-y 1/2+x,1/2-z,-y -z,y,x -z,1/2+y,1/2+x 1/2-z,y,1/2+x 1/2-z,1/2+y,x y,-x,-z y,1/2-x,1/2-z 1/2+y,-x,1/2-z 1/2+y,1/2-x,-z -x,z,y -x,1/2+z,1/2+y 1/2-x,z,1/2+y 1/2-x,1/2+z,y z,-y,-x z,1/2-y,1/2-x 1/2+z,-y,1/2-x 1/2+z,1/2-y,-x -y,x,z -y,1/2+x,1/2+z 1/2-y,x,1/2+z 1/2-y,1/2+x,z x,z,y x,1/2+z,1/2+y 1/2+x,z,1/2+y 1/2+x,1/2+z,y -z,-y,-x -z,1/2-y,1/2-x 1/2-z,-y,1/2-x 1/2-z,1/2-y,-x y,x,z y,1/2+x,1/2+z 1/2+y,x,1/2+z 1/2+y,1/2+x,z -x,-z,-y -x,1/2-z,1/2-y 1/2-x,-z,1/2-y 1/2-x,1/2-z,-y z,y,x z,1/2+y,1/2+x 1/2+z,y,1/2+x 1/2+z,1/2+y,x -y,-x,-z -y,1/2-x,1/2-z 1/2-y,-x,1/2-z 1/2-y,1/2-x,-z z,x,-y z,1/2+x,1/2-y 1/2+z,x,1/2-y 1/2+z,1/2+x,-y -y,-z,x -y,1/2-z,1/2+x 1/2-y,-z,1/2+x 1/2-y,1/2-z,x x,y,-z x,1/2+y,1/2-z 1/2+x,y,1/2-z 1/2+x,1/2+y,-z -z,-x,y -z,1/2-x,1/2+y 1/2-z,-x,1/2+y 1/2-z,1/2-x,y y,z,-x y,1/2+z,1/2-x 1/2+y,z,1/2-x 1/2+y,1/2+z,-x -x,-y,z -x,1/2-y,1/2+z 1/2-x,-y,1/2+z 1/2-x,1/2-y,z -z,x,y -z,1/2+x,1/2+y 1/2-z,x,1/2+y 1/2-z,1/2+x,y y,-z,-x y,1/2-z,1/2-x 1/2+y,-z,1/2-x 1/2+y,1/2-z,-x -x,y,z -x,1/2+y,1/2+z 1/2-x,y,1/2+z 1/2-x,1/2+y,z z,-x,-y z,1/2-x,1/2-y 1/2+z,-x,1/2-y 1/2+z,1/2-x,-y -y,z,x -y,1/2+z,1/2+x 1/2-y,z,1/2+x 1/2-y,1/2+z,x x,-y,-z x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2+x,1/2-y,-z -x,z,-y -x,1/2+z,1/2-y 1/2-x,z,1/2-y 1/2-x,1/2+z,-y z,-y,x z,1/2-y,1/2+x 1/2+z,-y,1/2+x 1/2+z,1/2-y,x -y,x,-z -y,1/2+x,1/2-z 1/2-y,x,1/2-z 1/2-y,1/2+x,-z x,-z,y x,1/2-z,1/2+y 1/2+x,-z,1/2+y 1/2+x,1/2-z,y -z,y,-x -z,1/2+y,1/2-x 1/2-z,y,1/2-x 1/2-z,1/2+y,-x y,-x,z y,1/2-x,1/2+z 1/2+y,-x,1/2+z 1/2+y,1/2-x,z -x,-z,y -x,1/2-z,1/2+y 1/2-x,-z,1/2+y 1/2-x,1/2-z,y z,y,-x z,1/2+y,1/2-x 1/2+z,y,1/2-x 1/2+z,1/2+y,-x -y,-x,z -y,1/2-x,1/2+z 1/2-y,-x,1/2+z 1/2-y,1/2-x,z x,z,-y x,1/2+z,1/2-y 1/2+x,z,1/2-y 1/2+x,1/2+z,-y -z,-y,x -z,1/2-y,1/2+x 1/2-z,-y,1/2+x 1/2-z,1/2-y,x y,x,-z y,1/2+x,1/2-z 1/2+y,x,1/2-z 1/2+y,1/2+x,-z -z,-x,-y -z,1/2-x,1/2-y 1/2-z,-x,1/2-y 1/2-z,1/2-x,-y y,z,x y,1/2+z,1/2+x 1/2+y,z,1/2+x 1/2+y,1/2+z,x -x,-y,-z -x,1/2-y,1/2-z 1/2-x,-y,1/2-z 1/2-x,1/2-y,-z z,x,y z,1/2+x,1/2+y 1/2+z,x,1/2+y 1/2+z,1/2+x,y -y,-z,-x -y,1/2-z,1/2-x 1/2-y,-z,1/2-x 1/2-y,1/2-z,-x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mn 0.00000 0.00000 0.00000 O 0.50000 0.50000 0.50000 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 ChemSpider 141409 2 AMCSD 0008242