The compound described by MgSiO3 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Si(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing SiO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and two equivalent Si(1) atoms to form distorted OMg3Si2 trigonal bipyramids that share corners with four equivalent O(2)Mg2Si2 tetrahedra, corners with nine equivalent O(1)Mg3Si2 trigonal bipyramids, edges with three equivalent O(2)Mg2Si2 tetrahedra, and edges with six equivalent O(1)Mg3Si2 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Si(1) atoms to form distorted OMg2Si2 tetrahedra that share corners with four equivalent O(2)Mg2Si2 tetrahedra, corners with eight equivalent O(1)Mg3Si2 trigonal bipyramids, and edges with six equivalent O(1)Mg3Si2 trigonal bipyramids. is represented by the CIF file [CIF]
data_MgSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.716
_cell_length_b   4.802
_cell_length_c   6.730
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.429
_symmetry_Int_Tables_number   1
_cell_volume   84.198
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.261  0.521  0.750  1.0
  Mg  Mg1  1  0.739  0.479  0.250  1.0
  Si  Si2  1  0.000  0.000  0.000  1.0
  Si  Si3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.626  0.252  0.945  1.0
  O  O5  1  0.374  0.748  0.055  1.0
  O  O6  1  0.374  0.748  0.445  1.0
  O  O7  1  0.626  0.252  0.555  1.0
  O  O8  1  0.927  0.854  0.750  1.0
  O  O9  1  0.073  0.146  0.250  1.0
[/CIF]
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The compound described by MgSiO3 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Si(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing SiO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and two equivalent Si(1) atoms to form distorted OMg3Si2 trigonal bipyramids that share corners with four equivalent O(2)Mg2Si2 tetrahedra, corners with nine equivalent O(1)Mg3Si2 trigonal bipyramids, edges with three equivalent O(2)Mg2Si2 tetrahedra, and edges with six equivalent O(1)Mg3Si2 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Si(1) atoms to form distorted OMg2Si2 tetrahedra that share corners with four equivalent O(2)Mg2Si2 tetrahedra, corners with eight equivalent O(1)Mg3Si2 trigonal bipyramids, and edges with six equivalent O(1)Mg3Si2 trigonal bipyramids. is represented by the CIF file [CIF]
data_MgSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.716
_cell_length_b   4.802
_cell_length_c   6.730
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.429
_symmetry_Int_Tables_number   1
_cell_volume   84.198
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.261  0.521  0.750  1.0
  Mg  Mg1  1  0.739  0.479  0.250  1.0
  Si  Si2  1  0.000  0.000  0.000  1.0
  Si  Si3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.626  0.252  0.945  1.0
  O  O5  1  0.374  0.748  0.055  1.0
  O  O6  1  0.374  0.748  0.445  1.0
  O  O7  1  0.626  0.252  0.555  1.0
  O  O8  1  0.927  0.854  0.750  1.0
  O  O9  1  0.073  0.146  0.250  1.0
[/CIF]
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