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 = 900 deg C
;
_database_code_amcsd 491
_chemical_formula_sum 'Fe Si O3'
_cell_length_a 18.596
_cell_length_b 9.1685
_cell_length_c 5.3113
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 905.563
_exptl_crystal_density_diffrn  3.871
_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   0.37492  0.651  0.8968
Fe2   0.37641  0.4886  0.3926
Si1   0.27267  0.3371  0.0675
Si2   0.4752  0.3358  0.7742
O1A   0.1856  0.3386  0.0648
O2A   0.3115  0.4917  0.0856
O3A   0.3013  0.247  0.8239
O1B   0.5622  0.3396  0.7731
O2B   0.4342  0.4846  0.7077
O3B   0.45  0.2189  0.5521
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   0.0247  0.0296  0.02109  0.0006  -0.004  -0.00049
Fe2   0.03539  0.04118  0.03075  -0.00181  -0.01061  0.00183
Si1   0.01419  0.02504  0.01835  -0.00207  5e-05  -0.0016
Si2   0.01542  0.02236  0.01882  0.00181  -0.0027  0.00197
O1A   0.01717  0.03837  0.0261  -0.00432  0.00035  0.00205
O2A   0.04099  0.02674  0.02874  -0.00976  -0.00285  -0.00126
O3A   0.01787  0.05681  0.02204  0.00147  -0.0028  -0.01774
O1B   0.01717  0.03654  0.02984  -0.00751  -0.00345  -0.00326
O2B   0.03609  0.02938  0.027  0.01382  -0.0016  0.00577
O3B   0.02803  0.04791  0.02695  -0.007  0.00205  -0.0146