data_global
_chemical_name_mineral 'Fayalite'
loop_
_publ_author_name
'Smyth J R'
'Hazen R M'
_journal_name_full 'American Mineralogist'
_journal_volume 58 
_journal_year 1973
_journal_page_first 588
_journal_page_last 593
_publ_section_title
;
 The crystal structures of forsterite and hortonolite at several temperatures
 up to 900 C
 Note: variety hortonolite
 T = 300 C
;
_database_code_amcsd 0000333
_chemical_compound_source 'Franklin, New Jersey, USA'
_chemical_formula_sum '(Fe1.1 Mg.75 Mn.15) Si O4'
_cell_length_a 4.822
_cell_length_b 10.456
_cell_length_c 6.101
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 307.605
_exptl_crystal_density_diffrn      3.886
_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   0.58200   0.01925
Mg1   0.00000   0.00000   0.00000   0.33900   0.01925
Mn1   0.00000   0.00000   0.00000   0.07900   0.01925
Fe2   0.98780   0.28020   0.25000   0.51800   0.01558
Mg2   0.98780   0.28020   0.25000   0.41100   0.01558
Mn2   0.98780   0.28020   0.25000   0.07100   0.01558
Si   0.42890   0.09580   0.25000   1.00000   0.01216
O1   0.76320   0.09260   0.25000   1.00000   0.01634
O2   0.21230   0.45140   0.25000   1.00000   0.01735
O3   0.28530   0.16310   0.03700   1.00000   0.01874