The material structure described by MgTi2(SnO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 3-coordinate geometry to one Sn(2), one O(1), one O(2), and one O(4) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form edge-sharing TiO6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted edge-sharing TiO6 octahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to one Mg(1), one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Sn(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Sn(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Sn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Sn(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Sn(2) atom. is represented by the CIF card [CIF]
data_MgTi2(SnO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.358
_cell_length_b   8.344
_cell_length_c   8.348
_cell_angle_alpha   35.912
_cell_angle_beta   35.876
_cell_angle_gamma   35.891
_symmetry_Int_Tables_number   1
_cell_volume   178.925
_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  0.771  0.774  0.775  1.0
  Ti  Ti1  1  0.339  0.339  0.339  1.0
  Ti  Ti2  1  0.655  0.656  0.656  1.0
  Sn  Sn3  1  0.104  0.106  0.107  1.0
  Sn  Sn4  1  0.905  0.903  0.904  1.0
  O  O5  1  0.037  0.688  0.422  1.0
  O  O6  1  0.421  0.039  0.687  1.0
  O  O7  1  0.306  0.592  0.958  1.0
  O  O8  1  0.686  0.423  0.038  1.0
  O  O9  1  0.592  0.958  0.305  1.0
  O  O10  1  0.959  0.306  0.592  1.0
[/CIF]
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The material structure described by MgTi2(SnO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 3-coordinate geometry to one Sn(2), one O(1), one O(2), and one O(4) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form edge-sharing TiO6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted edge-sharing TiO6 octahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to one Mg(1), one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Sn(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Sn(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Sn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Sn(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Sn(2) atom. is represented by the CIF card [CIF]
data_MgTi2(SnO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.358
_cell_length_b   8.344
_cell_length_c   8.348
_cell_angle_alpha   35.912
_cell_angle_beta   35.876
_cell_angle_gamma   35.891
_symmetry_Int_Tables_number   1
_cell_volume   178.925
_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  0.771  0.774  0.775  1.0
  Ti  Ti1  1  0.339  0.339  0.339  1.0
  Ti  Ti2  1  0.655  0.656  0.656  1.0
  Sn  Sn3  1  0.104  0.106  0.107  1.0
  Sn  Sn4  1  0.905  0.903  0.904  1.0
  O  O5  1  0.037  0.688  0.422  1.0
  O  O6  1  0.421  0.039  0.687  1.0
  O  O7  1  0.306  0.592  0.958  1.0
  O  O8  1  0.686  0.423  0.038  1.0
  O  O9  1  0.592  0.958  0.305  1.0
  O  O10  1  0.959  0.306  0.592  1.0
[/CIF]
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