The material described by MgSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with nine equivalent Sn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with nine equivalent Mg(1)O6 octahedra, edges with three equivalent Sn(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. O(1) is bonded to two equivalent Mg(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OMg2Sn2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.599
_cell_length_b   5.599
_cell_length_c   5.599
_cell_angle_alpha   56.166
_cell_angle_beta   56.166
_cell_angle_gamma   56.166
_symmetry_Int_Tables_number   1
_cell_volume   113.118
_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  0.356  0.356  0.356  1.0
  Mg  Mg1  1  0.644  0.644  0.644  1.0
  Sn  Sn2  1  0.148  0.148  0.148  1.0
  Sn  Sn3  1  0.852  0.852  0.852  1.0
  O  O4  1  0.448  0.756  0.049  1.0
  O  O5  1  0.756  0.049  0.448  1.0
  O  O6  1  0.951  0.552  0.244  1.0
  O  O7  1  0.049  0.448  0.756  1.0
  O  O8  1  0.244  0.951  0.552  1.0
  O  O9  1  0.552  0.244  0.951  1.0
[/CIF]
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The material described by MgSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with nine equivalent Sn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with nine equivalent Mg(1)O6 octahedra, edges with three equivalent Sn(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. O(1) is bonded to two equivalent Mg(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OMg2Sn2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.599
_cell_length_b   5.599
_cell_length_c   5.599
_cell_angle_alpha   56.166
_cell_angle_beta   56.166
_cell_angle_gamma   56.166
_symmetry_Int_Tables_number   1
_cell_volume   113.118
_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  0.356  0.356  0.356  1.0
  Mg  Mg1  1  0.644  0.644  0.644  1.0
  Sn  Sn2  1  0.148  0.148  0.148  1.0
  Sn  Sn3  1  0.852  0.852  0.852  1.0
  O  O4  1  0.448  0.756  0.049  1.0
  O  O5  1  0.756  0.049  0.448  1.0
  O  O6  1  0.951  0.552  0.244  1.0
  O  O7  1  0.049  0.448  0.756  1.0
  O  O8  1  0.244  0.951  0.552  1.0
  O  O9  1  0.552  0.244  0.951  1.0
[/CIF]
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