The material described by FeSiO3 crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) 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(2)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form SiO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Fe(1), two equivalent Fe(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Fe(1), two equivalent Fe(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_FeSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   6.777
_cell_length_c   6.789
_cell_angle_alpha   86.183
_cell_angle_beta   75.733
_cell_angle_gamma   75.752
_symmetry_Int_Tables_number   1
_cell_volume   233.009
_cell_formula_units_Z   4
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  0.249  0.746  0.754  1.0
  Fe  Fe1  1  0.750  0.254  0.246  1.0
  Fe  Fe2  1  0.250  0.098  0.402  1.0
  Fe  Fe3  1  0.750  0.902  0.597  1.0
  Si  Si4  1  0.231  0.213  0.885  1.0
  Si  Si5  1  0.269  0.615  0.287  1.0
  Si  Si6  1  0.769  0.787  0.115  1.0
  Si  Si7  1  0.731  0.385  0.713  1.0
  O  O8  1  0.965  0.373  0.835  1.0
  O  O9  1  0.535  0.665  0.127  1.0
  O  O10  1  0.035  0.627  0.165  1.0
  O  O11  1  0.465  0.335  0.873  1.0
  O  O12  1  0.134  0.140  0.118  1.0
  O  O13  1  0.366  0.381  0.360  1.0
  O  O14  1  0.866  0.860  0.882  1.0
  O  O15  1  0.634  0.619  0.640  1.0
  O  O16  1  0.840  0.211  0.536  1.0
  O  O17  1  0.660  0.964  0.289  1.0
  O  O18  1  0.160  0.789  0.464  1.0
  O  O19  1  0.340  0.036  0.711  1.0
[/CIF]
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The material described by FeSiO3 crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) 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(2)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form SiO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Fe(1), two equivalent Fe(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Fe(1), two equivalent Fe(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_FeSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   6.777
_cell_length_c   6.789
_cell_angle_alpha   86.183
_cell_angle_beta   75.733
_cell_angle_gamma   75.752
_symmetry_Int_Tables_number   1
_cell_volume   233.009
_cell_formula_units_Z   4
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  0.249  0.746  0.754  1.0
  Fe  Fe1  1  0.750  0.254  0.246  1.0
  Fe  Fe2  1  0.250  0.098  0.402  1.0
  Fe  Fe3  1  0.750  0.902  0.597  1.0
  Si  Si4  1  0.231  0.213  0.885  1.0
  Si  Si5  1  0.269  0.615  0.287  1.0
  Si  Si6  1  0.769  0.787  0.115  1.0
  Si  Si7  1  0.731  0.385  0.713  1.0
  O  O8  1  0.965  0.373  0.835  1.0
  O  O9  1  0.535  0.665  0.127  1.0
  O  O10  1  0.035  0.627  0.165  1.0
  O  O11  1  0.465  0.335  0.873  1.0
  O  O12  1  0.134  0.140  0.118  1.0
  O  O13  1  0.366  0.381  0.360  1.0
  O  O14  1  0.866  0.860  0.882  1.0
  O  O15  1  0.634  0.619  0.640  1.0
  O  O16  1  0.840  0.211  0.536  1.0
  O  O17  1  0.660  0.964  0.289  1.0
  O  O18  1  0.160  0.789  0.464  1.0
  O  O19  1  0.340  0.036  0.711  1.0
[/CIF]
.