The material structure described by FeSiO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form SiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-60°. In the second Si site, Si(2) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-59°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Fe(2) and two equivalent Si(1) atoms. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and two equivalent Si(2) atoms. In the third O site, O(1) is bonded to one Fe(2), two equivalent Fe(1), and one Si(1) atom to form distorted corner-sharing OFe3Si trigonal pyramids. In the fourth O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one Si(2) atom. In the fifth O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Si(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.227
_cell_length_b   5.315
_cell_length_c   9.587
_cell_angle_alpha   76.916
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   457.990
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.846  0.522  0.748  1.0
  Fe  Fe1  1  0.346  0.978  0.252  1.0
  Fe  Fe2  1  0.154  0.478  0.252  1.0
  Fe  Fe3  1  0.654  0.022  0.748  1.0
  Fe  Fe4  1  0.488  0.526  0.748  1.0
  Fe  Fe5  1  0.988  0.974  0.252  1.0
  Fe  Fe6  1  0.512  0.474  0.252  1.0
  Fe  Fe7  1  0.012  0.026  0.748  1.0
  Si  Si8  1  0.162  0.257  0.954  1.0
  Si  Si9  1  0.662  0.243  0.046  1.0
  Si  Si10  1  0.838  0.743  0.046  1.0
  Si  Si11  1  0.338  0.757  0.954  1.0
  Si  Si12  1  0.666  0.809  0.447  1.0
  Si  Si13  1  0.166  0.691  0.553  1.0
  Si  Si14  1  0.334  0.191  0.553  1.0
  Si  Si15  1  0.834  0.309  0.447  1.0
  O  O16  1  0.162  0.192  0.129  1.0
  O  O17  1  0.662  0.308  0.871  1.0
  O  O18  1  0.838  0.808  0.871  1.0
  O  O19  1  0.338  0.692  0.129  1.0
  O  O20  1  0.662  0.732  0.623  1.0
  O  O21  1  0.162  0.768  0.377  1.0
  O  O22  1  0.338  0.268  0.377  1.0
  O  O23  1  0.838  0.232  0.623  1.0
  O  O24  1  0.005  0.290  0.876  1.0
  O  O25  1  0.505  0.210  0.124  1.0
  O  O26  1  0.995  0.710  0.124  1.0
  O  O27  1  0.495  0.790  0.876  1.0
  O  O28  1  0.521  0.752  0.364  1.0
  O  O29  1  0.021  0.748  0.636  1.0
  O  O30  1  0.479  0.248  0.636  1.0
  O  O31  1  0.979  0.252  0.364  1.0
  O  O32  1  0.232  0.010  0.894  1.0
  O  O33  1  0.732  0.490  0.106  1.0
  O  O34  1  0.768  0.990  0.106  1.0
  O  O35  1  0.268  0.510  0.894  1.0
  O  O36  1  0.796  0.626  0.397  1.0
  O  O37  1  0.296  0.874  0.603  1.0
  O  O38  1  0.204  0.374  0.603  1.0
  O  O39  1  0.704  0.126  0.397  1.0
[/CIF]
.
The material structure described by FeSiO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form SiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-60°. In the second Si site, Si(2) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-59°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Fe(2) and two equivalent Si(1) atoms. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and two equivalent Si(2) atoms. In the third O site, O(1) is bonded to one Fe(2), two equivalent Fe(1), and one Si(1) atom to form distorted corner-sharing OFe3Si trigonal pyramids. In the fourth O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one Si(2) atom. In the fifth O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Si(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.227
_cell_length_b   5.315
_cell_length_c   9.587
_cell_angle_alpha   76.916
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   457.990
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.846  0.522  0.748  1.0
  Fe  Fe1  1  0.346  0.978  0.252  1.0
  Fe  Fe2  1  0.154  0.478  0.252  1.0
  Fe  Fe3  1  0.654  0.022  0.748  1.0
  Fe  Fe4  1  0.488  0.526  0.748  1.0
  Fe  Fe5  1  0.988  0.974  0.252  1.0
  Fe  Fe6  1  0.512  0.474  0.252  1.0
  Fe  Fe7  1  0.012  0.026  0.748  1.0
  Si  Si8  1  0.162  0.257  0.954  1.0
  Si  Si9  1  0.662  0.243  0.046  1.0
  Si  Si10  1  0.838  0.743  0.046  1.0
  Si  Si11  1  0.338  0.757  0.954  1.0
  Si  Si12  1  0.666  0.809  0.447  1.0
  Si  Si13  1  0.166  0.691  0.553  1.0
  Si  Si14  1  0.334  0.191  0.553  1.0
  Si  Si15  1  0.834  0.309  0.447  1.0
  O  O16  1  0.162  0.192  0.129  1.0
  O  O17  1  0.662  0.308  0.871  1.0
  O  O18  1  0.838  0.808  0.871  1.0
  O  O19  1  0.338  0.692  0.129  1.0
  O  O20  1  0.662  0.732  0.623  1.0
  O  O21  1  0.162  0.768  0.377  1.0
  O  O22  1  0.338  0.268  0.377  1.0
  O  O23  1  0.838  0.232  0.623  1.0
  O  O24  1  0.005  0.290  0.876  1.0
  O  O25  1  0.505  0.210  0.124  1.0
  O  O26  1  0.995  0.710  0.124  1.0
  O  O27  1  0.495  0.790  0.876  1.0
  O  O28  1  0.521  0.752  0.364  1.0
  O  O29  1  0.021  0.748  0.636  1.0
  O  O30  1  0.479  0.248  0.636  1.0
  O  O31  1  0.979  0.252  0.364  1.0
  O  O32  1  0.232  0.010  0.894  1.0
  O  O33  1  0.732  0.490  0.106  1.0
  O  O34  1  0.768  0.990  0.106  1.0
  O  O35  1  0.268  0.510  0.894  1.0
  O  O36  1  0.796  0.626  0.397  1.0
  O  O37  1  0.296  0.874  0.603  1.0
  O  O38  1  0.204  0.374  0.603  1.0
  O  O39  1  0.704  0.126  0.397  1.0
[/CIF]
.