The crystal structure described by MgSn2O5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(10), one O(2), one O(4), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing SnO5 trigonal bipyramids. In the second Sn site, Sn(2) is bonded to one O(1), one O(3), one O(9), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing SnO5 trigonal bipyramids. In the third Sn site, Sn(3) is bonded to one O(1), one O(5), one O(8), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing SnO5 trigonal bipyramids. In the fourth Sn site, Sn(4) is bonded to one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form a mixture of distorted edge and corner-sharing SnO5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(2), one Sn(2), and one Sn(3) atom to form corner-sharing OMg2Sn2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Mg(1), one Sn(1), and one Sn(4) atom to form corner-sharing OMg2Sn2 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Sn(2) and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Sn(1) and two equivalent Sn(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Sn(3) and two equivalent Sn(4) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Sn(4) and two equivalent Sn(3) atoms. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to two equivalent Mg(1) and one Sn(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(2) and one Sn(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(2) and one Sn(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_MgSn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.419
_cell_length_b   5.198
_cell_length_c   12.707
_cell_angle_alpha   89.920
_cell_angle_beta   90.696
_cell_angle_gamma   89.645
_symmetry_Int_Tables_number   1
_cell_volume   225.838
_cell_formula_units_Z   2
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  0.745  0.896  0.251  1.0
  Mg  Mg1  1  0.254  0.105  0.748  1.0
  Sn  Sn2  1  0.252  0.399  0.107  1.0
  Sn  Sn3  1  0.744  0.602  0.893  1.0
  Sn  Sn4  1  0.756  0.602  0.607  1.0
  Sn  Sn5  1  0.248  0.398  0.393  1.0
  O  O6  1  0.755  0.412  0.750  1.0
  O  O7  1  0.247  0.589  0.250  1.0
  O  O8  1  0.749  0.591  0.069  1.0
  O  O9  1  0.246  0.411  0.931  1.0
  O  O10  1  0.748  0.590  0.431  1.0
  O  O11  1  0.256  0.410  0.569  1.0
  O  O12  1  0.231  0.039  0.355  1.0
  O  O13  1  0.775  0.961  0.644  1.0
  O  O14  1  0.717  0.960  0.853  1.0
  O  O15  1  0.268  0.041  0.146  1.0
[/CIF]
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The crystal structure described by MgSn2O5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(10), one O(2), one O(4), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing SnO5 trigonal bipyramids. In the second Sn site, Sn(2) is bonded to one O(1), one O(3), one O(9), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing SnO5 trigonal bipyramids. In the third Sn site, Sn(3) is bonded to one O(1), one O(5), one O(8), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing SnO5 trigonal bipyramids. In the fourth Sn site, Sn(4) is bonded to one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form a mixture of distorted edge and corner-sharing SnO5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(2), one Sn(2), and one Sn(3) atom to form corner-sharing OMg2Sn2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Mg(1), one Sn(1), and one Sn(4) atom to form corner-sharing OMg2Sn2 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Sn(2) and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Sn(1) and two equivalent Sn(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Sn(3) and two equivalent Sn(4) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Sn(4) and two equivalent Sn(3) atoms. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to two equivalent Mg(1) and one Sn(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(2) and one Sn(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(2) and one Sn(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_MgSn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.419
_cell_length_b   5.198
_cell_length_c   12.707
_cell_angle_alpha   89.920
_cell_angle_beta   90.696
_cell_angle_gamma   89.645
_symmetry_Int_Tables_number   1
_cell_volume   225.838
_cell_formula_units_Z   2
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  0.745  0.896  0.251  1.0
  Mg  Mg1  1  0.254  0.105  0.748  1.0
  Sn  Sn2  1  0.252  0.399  0.107  1.0
  Sn  Sn3  1  0.744  0.602  0.893  1.0
  Sn  Sn4  1  0.756  0.602  0.607  1.0
  Sn  Sn5  1  0.248  0.398  0.393  1.0
  O  O6  1  0.755  0.412  0.750  1.0
  O  O7  1  0.247  0.589  0.250  1.0
  O  O8  1  0.749  0.591  0.069  1.0
  O  O9  1  0.246  0.411  0.931  1.0
  O  O10  1  0.748  0.590  0.431  1.0
  O  O11  1  0.256  0.410  0.569  1.0
  O  O12  1  0.231  0.039  0.355  1.0
  O  O13  1  0.775  0.961  0.644  1.0
  O  O14  1  0.717  0.960  0.853  1.0
  O  O15  1  0.268  0.041  0.146  1.0
[/CIF]
.