The crystal structure described by MgSnO2 crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(4), one O(6), and two equivalent O(7) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra,  a cornercorner with one Mg(4)O5 trigonal bipyramid, and corners with two equivalent Mg(3)O4 trigonal pyramids. In the second Mg site, Mg(2) is bonded to one O(1), one O(8), and two equivalent O(5) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent Mg(4)O5 trigonal bipyramids, and  a cornercorner with one Mg(3)O4 trigonal pyramid. In the third Mg site, Mg(3) is bonded to one O(7), one O(8), and two equivalent O(3) atoms to form MgO4 trigonal pyramids that share  a cornercorner with one Mg(2)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Mg(4)O5 trigonal bipyramids, and corners with two equivalent Mg(3)O4 trigonal pyramids. In the fourth Mg site, Mg(4) is bonded to one O(3), one O(5), one O(6), and two equivalent O(2) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent Mg(4)O5 trigonal bipyramids, and corners with two equivalent Mg(3)O4 trigonal pyramids. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(6) atoms. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(8) atoms. In the fourth Sn site, Sn(4) is bonded in a water-like geometry to two equivalent O(1) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2) and two equivalent Sn(4) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(4), one Sn(1), and one Sn(3) atom. In the third O site, O(3) is bonded to one Mg(4), two equivalent Mg(3), and one Sn(3) atom to form distorted OMg3Sn trigonal pyramids that share  a cornercorner with one O(6)Mg2Sn2 tetrahedra and corners with two equivalent O(3)Mg3Sn trigonal pyramids. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Mg(1), one Sn(2), and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(4) and two equivalent Mg(2) atoms. In the sixth O site, O(6) is bonded to one Mg(1), one Mg(4), and two equivalent Sn(2) atoms to form OMg2Sn2 tetrahedra that share corners with two equivalent O(6)Mg2Sn2 tetrahedra and  a cornercorner with one O(3)Mg3Sn trigonal pyramid. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(3) and two equivalent Mg(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Mg(3), and two equivalent Sn(3) atoms. is represented by the CIF file [CIF]
data_MgSnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.302
_cell_length_b   8.754
_cell_length_c   8.916
_cell_angle_alpha   104.851
_cell_angle_beta   90.270
_cell_angle_gamma   92.528
_symmetry_Int_Tables_number   1
_cell_volume   248.807
_cell_formula_units_Z   4
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  0.754  0.222  0.060  1.0
  Mg  Mg1  1  0.289  0.823  0.932  1.0
  Mg  Mg2  1  0.207  0.096  0.714  1.0
  Mg  Mg3  1  0.788  0.934  0.278  1.0
  Sn  Sn4  1  0.147  0.591  0.160  1.0
  Sn  Sn5  1  0.425  0.312  0.405  1.0
  Sn  Sn6  1  0.653  0.793  0.574  1.0
  Sn  Sn7  1  0.876  0.446  0.785  1.0
  O  O8  1  0.394  0.597  0.808  1.0
  O  O9  1  0.267  0.809  0.317  1.0
  O  O10  1  0.701  0.045  0.576  1.0
  O  O11  1  0.592  0.446  0.235  1.0
  O  O12  1  0.792  0.856  0.050  1.0
  O  O13  1  0.878  0.170  0.273  1.0
  O  O14  1  0.250  0.210  0.939  1.0
  O  O15  1  0.180  0.876  0.734  1.0
[/CIF]
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The crystal structure described by MgSnO2 crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(4), one O(6), and two equivalent O(7) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra,  a cornercorner with one Mg(4)O5 trigonal bipyramid, and corners with two equivalent Mg(3)O4 trigonal pyramids. In the second Mg site, Mg(2) is bonded to one O(1), one O(8), and two equivalent O(5) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent Mg(4)O5 trigonal bipyramids, and  a cornercorner with one Mg(3)O4 trigonal pyramid. In the third Mg site, Mg(3) is bonded to one O(7), one O(8), and two equivalent O(3) atoms to form MgO4 trigonal pyramids that share  a cornercorner with one Mg(2)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Mg(4)O5 trigonal bipyramids, and corners with two equivalent Mg(3)O4 trigonal pyramids. In the fourth Mg site, Mg(4) is bonded to one O(3), one O(5), one O(6), and two equivalent O(2) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent Mg(4)O5 trigonal bipyramids, and corners with two equivalent Mg(3)O4 trigonal pyramids. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(6) atoms. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(8) atoms. In the fourth Sn site, Sn(4) is bonded in a water-like geometry to two equivalent O(1) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2) and two equivalent Sn(4) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(4), one Sn(1), and one Sn(3) atom. In the third O site, O(3) is bonded to one Mg(4), two equivalent Mg(3), and one Sn(3) atom to form distorted OMg3Sn trigonal pyramids that share  a cornercorner with one O(6)Mg2Sn2 tetrahedra and corners with two equivalent O(3)Mg3Sn trigonal pyramids. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Mg(1), one Sn(2), and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(4) and two equivalent Mg(2) atoms. In the sixth O site, O(6) is bonded to one Mg(1), one Mg(4), and two equivalent Sn(2) atoms to form OMg2Sn2 tetrahedra that share corners with two equivalent O(6)Mg2Sn2 tetrahedra and  a cornercorner with one O(3)Mg3Sn trigonal pyramid. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(3) and two equivalent Mg(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Mg(3), and two equivalent Sn(3) atoms. is represented by the CIF file [CIF]
data_MgSnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.302
_cell_length_b   8.754
_cell_length_c   8.916
_cell_angle_alpha   104.851
_cell_angle_beta   90.270
_cell_angle_gamma   92.528
_symmetry_Int_Tables_number   1
_cell_volume   248.807
_cell_formula_units_Z   4
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  0.754  0.222  0.060  1.0
  Mg  Mg1  1  0.289  0.823  0.932  1.0
  Mg  Mg2  1  0.207  0.096  0.714  1.0
  Mg  Mg3  1  0.788  0.934  0.278  1.0
  Sn  Sn4  1  0.147  0.591  0.160  1.0
  Sn  Sn5  1  0.425  0.312  0.405  1.0
  Sn  Sn6  1  0.653  0.793  0.574  1.0
  Sn  Sn7  1  0.876  0.446  0.785  1.0
  O  O8  1  0.394  0.597  0.808  1.0
  O  O9  1  0.267  0.809  0.317  1.0
  O  O10  1  0.701  0.045  0.576  1.0
  O  O11  1  0.592  0.446  0.235  1.0
  O  O12  1  0.792  0.856  0.050  1.0
  O  O13  1  0.878  0.170  0.273  1.0
  O  O14  1  0.250  0.210  0.939  1.0
  O  O15  1  0.180  0.876  0.734  1.0
[/CIF]
.