data_global
_chemical_name_mineral 'Fayalite'
loop_
_publ_author_name
'Hazen R M'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 286
_journal_page_last 295
_publ_section_title
;
 Effects of temperature and pressure on the crystal structure of ferromagnesian
 olivine
 T = 900 deg C,P = 1 atm
;
_database_code_amcsd 0000573
_chemical_compound_source 'Franklin, New Jersey, USA'
_chemical_formula_sum '(Fe1.1 Mg.75 Mn.15) Si O4'
_cell_length_a 4.838
_cell_length_b 10.490
_cell_length_c 6.136
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 311.406
_exptl_crystal_density_diffrn      3.839
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1   0.00000   0.00000   0.00000   0.56200   0.03002
Mg1   0.00000   0.00000   0.00000   0.36100   0.03002
Mn1   0.00000   0.00000   0.00000   0.07700   0.03002
Fe2   0.99400   0.27990   0.25000   0.53800   0.02140
Mg2   0.99400   0.27990   0.25000   0.38900   0.02140
Mn2   0.99400   0.27990   0.25000   0.07300   0.02140
Si   0.44500   0.09590   0.25000   1.00000   0.01343
O1   0.81400   0.08820   0.25000   1.00000   0.03344
O2   0.21000   0.45030   0.25000   1.00000   0.01127
O3   0.28000   0.16150   0.04470   1.00000   0.02330