The compound described by MgTiSnO4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°. Ti(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form TiO5 trigonal bipyramids that share corners with four equivalent Ti(1)O5 trigonal bipyramids and edges with four equivalent Mg(1)O6 octahedra. Sn(1) is bonded in an L-shaped geometry to one O(1) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one Sn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Sn(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form corner-sharing OMg2Ti2 tetrahedra. is represented by the CIF card [CIF]
data_MgTiSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.987
_cell_length_b   8.633
_cell_length_c   8.066
_cell_angle_alpha   157.661
_cell_angle_beta   152.434
_cell_angle_gamma   35.041
_symmetry_Int_Tables_number   1
_cell_volume   97.826
_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  0.256  0.738  0.323  1.0
  Ti  Ti1  1  0.632  0.243  0.440  1.0
  Sn  Sn2  1  0.046  0.161  0.190  1.0
  O  O3  1  0.498  0.383  0.667  1.0
  O  O4  1  0.146  0.196  0.872  1.0
  O  O5  1  0.326  0.252  0.745  1.0
  O  O6  1  0.702  0.722  0.850  1.0
[/CIF]
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The compound described by MgTiSnO4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°. Ti(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form TiO5 trigonal bipyramids that share corners with four equivalent Ti(1)O5 trigonal bipyramids and edges with four equivalent Mg(1)O6 octahedra. Sn(1) is bonded in an L-shaped geometry to one O(1) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one Sn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Sn(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form corner-sharing OMg2Ti2 tetrahedra. is represented by the CIF card [CIF]
data_MgTiSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.987
_cell_length_b   8.633
_cell_length_c   8.066
_cell_angle_alpha   157.661
_cell_angle_beta   152.434
_cell_angle_gamma   35.041
_symmetry_Int_Tables_number   1
_cell_volume   97.826
_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  0.256  0.738  0.323  1.0
  Ti  Ti1  1  0.632  0.243  0.440  1.0
  Sn  Sn2  1  0.046  0.161  0.190  1.0
  O  O3  1  0.498  0.383  0.667  1.0
  O  O4  1  0.146  0.196  0.872  1.0
  O  O5  1  0.326  0.252  0.745  1.0
  O  O6  1  0.702  0.722  0.850  1.0
[/CIF]
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