The material structure described by MgSnO2 is Chalcostibite-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO5 trigonal bipyramids that share corners with four equivalent Mg(2)O4 tetrahedra and edges with two equivalent Mg(1)O5 trigonal bipyramids. In the second Mg site, Mg(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(2)O4 tetrahedra and corners with four equivalent Mg(1)O5 trigonal bipyramids. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(1) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(2) and two equivalent Sn(2) atoms to form distorted OMg2Sn2 trigonal pyramids that share corners with two equivalent O(3)Mg3Sn tetrahedra, corners with two equivalent O(2)Mg2Sn2 trigonal pyramids, and  an edgeedge with one O(2)Mg2Sn2 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(2), two equivalent Mg(1), and one Sn(1) atom to form OMg3Sn tetrahedra that share corners with two equivalent O(3)Mg3Sn tetrahedra and corners with two equivalent O(2)Mg2Sn2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(2), two equivalent Mg(1), and one Sn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.190
_cell_length_b   8.760
_cell_length_c   9.016
_cell_angle_alpha   92.337
_cell_angle_beta   97.642
_cell_angle_gamma   93.770
_symmetry_Int_Tables_number   1
_cell_volume   248.877
_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  0.068  0.244  0.550  1.0
  Mg  Mg1  1  0.932  0.756  0.450  1.0
  Mg  Mg2  1  0.422  0.421  0.259  1.0
  Mg  Mg3  1  0.578  0.579  0.741  1.0
  Sn  Sn4  1  0.556  0.944  0.765  1.0
  Sn  Sn5  1  0.983  0.321  0.901  1.0
  Sn  Sn6  1  0.017  0.679  0.099  1.0
  Sn  Sn7  1  0.444  0.056  0.235  1.0
  O  O8  1  0.963  0.950  0.342  1.0
  O  O9  1  0.134  0.567  0.877  1.0
  O  O10  1  0.866  0.433  0.123  1.0
  O  O11  1  0.037  0.050  0.658  1.0
  O  O12  1  0.481  0.748  0.606  1.0
  O  O13  1  0.611  0.359  0.685  1.0
  O  O14  1  0.519  0.252  0.394  1.0
  O  O15  1  0.389  0.641  0.315  1.0
[/CIF]
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The material structure described by MgSnO2 is Chalcostibite-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO5 trigonal bipyramids that share corners with four equivalent Mg(2)O4 tetrahedra and edges with two equivalent Mg(1)O5 trigonal bipyramids. In the second Mg site, Mg(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(2)O4 tetrahedra and corners with four equivalent Mg(1)O5 trigonal bipyramids. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(1) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(2) and two equivalent Sn(2) atoms to form distorted OMg2Sn2 trigonal pyramids that share corners with two equivalent O(3)Mg3Sn tetrahedra, corners with two equivalent O(2)Mg2Sn2 trigonal pyramids, and  an edgeedge with one O(2)Mg2Sn2 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(2), two equivalent Mg(1), and one Sn(1) atom to form OMg3Sn tetrahedra that share corners with two equivalent O(3)Mg3Sn tetrahedra and corners with two equivalent O(2)Mg2Sn2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(2), two equivalent Mg(1), and one Sn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.190
_cell_length_b   8.760
_cell_length_c   9.016
_cell_angle_alpha   92.337
_cell_angle_beta   97.642
_cell_angle_gamma   93.770
_symmetry_Int_Tables_number   1
_cell_volume   248.877
_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  0.068  0.244  0.550  1.0
  Mg  Mg1  1  0.932  0.756  0.450  1.0
  Mg  Mg2  1  0.422  0.421  0.259  1.0
  Mg  Mg3  1  0.578  0.579  0.741  1.0
  Sn  Sn4  1  0.556  0.944  0.765  1.0
  Sn  Sn5  1  0.983  0.321  0.901  1.0
  Sn  Sn6  1  0.017  0.679  0.099  1.0
  Sn  Sn7  1  0.444  0.056  0.235  1.0
  O  O8  1  0.963  0.950  0.342  1.0
  O  O9  1  0.134  0.567  0.877  1.0
  O  O10  1  0.866  0.433  0.123  1.0
  O  O11  1  0.037  0.050  0.658  1.0
  O  O12  1  0.481  0.748  0.606  1.0
  O  O13  1  0.611  0.359  0.685  1.0
  O  O14  1  0.519  0.252  0.394  1.0
  O  O15  1  0.389  0.641  0.315  1.0
[/CIF]
.