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 = 900 C
;
_database_code_amcsd 335
_chemical_compound_source 'Franklin, New Jersey, USA'
_chemical_formula_sum '(Fe1.1 Mg.75 Mn.15) Si O4'
_cell_length_a 4.899
_cell_length_b 10.419
_cell_length_c 6.08
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 310.34
_exptl_crystal_density_diffrn  3.852
_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   0.0  0.0  0.0  0.564  0.01292
Mg1   0.0  0.0  0.0  0.359  0.01292
Mn1   0.0  0.0  0.0  0.077  0.01292
Fe2   0.9876  0.2797  0.25  0.536  0.01026
Mg2   0.9876  0.2797  0.25  0.391  0.01026
Mn2   0.9876  0.2797  0.25  0.073  0.01026
Si   0.4284  0.0957  0.25  1.0  0.00874
O1   0.7649  0.0921  0.25  1.0  0.01241
O2   0.2135  0.4524  0.25  1.0  0.01153
O3   0.2847  0.1631  0.0375  1.0  0.01317