The crystal structure described by MgTiSnO3 crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded in a square co-planar geometry to two equivalent Sn(1) and four equivalent O(1) atoms. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with eight equivalent Sn(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Sn(1) is bonded to two equivalent Mg(1) and four equivalent O(2) atoms to form distorted SnMg2O4 octahedra that share corners with six equivalent Sn(1)Mg2O4 octahedra, corners with eight equivalent Ti(1)O6 octahedra, and edges with four equivalent Sn(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Ti(1) and four equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing OTi2Sn4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_MgTiSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.974
_cell_length_b   5.484
_cell_length_c   3.974
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.605
_cell_formula_units_Z   1
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  0.000  0.500  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.500  0.000  0.500  1.0
[/CIF]
.
The crystal structure described by MgTiSnO3 crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded in a square co-planar geometry to two equivalent Sn(1) and four equivalent O(1) atoms. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with eight equivalent Sn(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Sn(1) is bonded to two equivalent Mg(1) and four equivalent O(2) atoms to form distorted SnMg2O4 octahedra that share corners with six equivalent Sn(1)Mg2O4 octahedra, corners with eight equivalent Ti(1)O6 octahedra, and edges with four equivalent Sn(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Ti(1) and four equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing OTi2Sn4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_MgTiSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.974
_cell_length_b   5.484
_cell_length_c   3.974
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.605
_cell_formula_units_Z   1
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  0.000  0.500  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.500  0.000  0.500  1.0
[/CIF]
.