data_global
_chemical_name_mineral 'Ferrosilite'
loop_
_publ_author_name
'Sueno S'
'Cameron M'
'Prewitt C T'
_journal_name_full 'American Mineralogist'
_journal_volume 61
_journal_year 1976
_journal_page_first 38
_journal_page_last 53
_publ_section_title
;
 Orthoferrosilite: High-temperature crystal chemistry
 T = 980 deg C
;
_database_code_amcsd 492
_chemical_formula_sum 'Fe Si O3'
_cell_length_a 18.614
_cell_length_b 9.172
_cell_length_c 5.3199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 908.254
_exptl_crystal_density_diffrn  3.859
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-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
Fe1   0.37467  0.6505  0.8992
Fe2   0.37637  0.4886  0.3964
Si1   0.2729  0.3374  0.0695
Si2   0.4755  0.3353  0.7725
O1A   0.1862  0.3394  0.0669
O2A   0.312  0.491  0.0921
O3A   0.3005  0.2491  0.8225
O1B   0.5623  0.3401  0.7727
O2B   0.4348  0.4847  0.7117
O3B   0.4493  0.2229  0.5455
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe1   0.02844  0.03409  0.02369  0.00035  -0.00426  0.00084
Fe2   0.03897  0.04645  0.03665  -0.00415  -0.01309  0.0
Si1   0.0172  0.02851  0.01655  -0.0013  0.0007  -0.00381
Si2   0.01738  0.02514  0.0223  0.00112  -0.00271  0.00297
O1A   0.01632  0.0413  0.02865  -0.00147  0.00166  0.00398
O2A   0.03844  0.03124  0.02906  -0.01176  0.0012  -0.00173
O3A   0.02106  0.05971  0.02875  0.00294  -0.00176  -0.02687
O1B   0.02405  0.03925  0.03114  -0.00554  -0.00376  0.00037
O2B   0.04774  0.03814  0.03273  0.01289  0.00075  -0.00037
O3B   0.0323  0.06056  0.03223  -0.00977  0.00406  -0.01355