#------------------------------------------------------------------------------ #$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $ #$Revision: 85285 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/14/9011409.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_9011409 loop_ _publ_author_name 'Buerger, M. J.' _publ_section_title ; The symmetry and crystal structure of manganite, Mn(OH)O Locality: Ilfeld, Germany ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 163 _journal_page_last 174 _journal_volume 95 _journal_year 1936 _chemical_formula_sum 'Mn O2' _chemical_name_mineral Manganite _symmetry_space_group_name_H-M 'B 21/d' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 8.86 _cell_length_b 5.24 _cell_length_c 5.7 _cell_volume 264.630 _exptl_crystal_density_diffrn 4.364 _cod_database_code 9011409 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,y,1/2+z 3/4-x,1/2+y,3/4-z 1/4-x,1/2+y,1/4-z 3/4+x,1/2-y,3/4+z 1/4+x,1/2-y,1/4+z 1/2-x,-y,1/2-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mn 0.00000 0.00000 0.25800 O1 0.11900 0.12200 0.00000 O2 0.11900 0.12200 0.50000