The material structure described by MgV3SnO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(3), and two equivalent O(6) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 38°. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms. Sn(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) 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 V(3) and two equivalent V(2) atoms. In the second O site, O(2) is bonded to one V(1), one V(3), and two equivalent Sn(1) atoms to form OV2Sn2 trigonal pyramids that share corners with two equivalent O(6)Mg2VSn tetrahedra and corners with two equivalent O(2)V2Sn2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one Sn(1) atom. In the sixth O site, O(6) is bonded to two equivalent Mg(1), one V(2), and one Sn(1) atom to form OMg2VSn tetrahedra that share corners with two equivalent O(6)Mg2VSn tetrahedra and corners with two equivalent O(2)V2Sn2 trigonal pyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one V(2), two equivalent V(3), and one Sn(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent V(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   6.631
_cell_length_c   6.755
_cell_angle_alpha   75.546
_cell_angle_beta   104.454
_cell_angle_gamma   146.864
_symmetry_Int_Tables_number   1
_cell_volume   156.756
_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  0.980  0.020  0.983  1.0
  V  V1  1  0.406  0.594  0.327  1.0
  V  V2  1  0.604  0.396  0.695  1.0
  V  V3  1  0.301  0.699  0.720  1.0
  Sn  Sn4  1  0.699  0.301  0.276  1.0
  O  O5  1  0.151  0.849  0.740  1.0
  O  O6  1  0.246  0.754  0.367  1.0
  O  O7  1  0.384  0.616  0.977  1.0
  O  O8  1  0.440  0.560  0.628  1.0
  O  O9  1  0.567  0.433  0.388  1.0
  O  O10  1  0.591  0.409  1.000  1.0
  O  O11  1  0.770  0.230  0.662  1.0
  O  O12  1  0.863  0.137  0.248  1.0
[/CIF]
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The material structure described by MgV3SnO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(3), and two equivalent O(6) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 38°. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms. Sn(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) 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 V(3) and two equivalent V(2) atoms. In the second O site, O(2) is bonded to one V(1), one V(3), and two equivalent Sn(1) atoms to form OV2Sn2 trigonal pyramids that share corners with two equivalent O(6)Mg2VSn tetrahedra and corners with two equivalent O(2)V2Sn2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one Sn(1) atom. In the sixth O site, O(6) is bonded to two equivalent Mg(1), one V(2), and one Sn(1) atom to form OMg2VSn tetrahedra that share corners with two equivalent O(6)Mg2VSn tetrahedra and corners with two equivalent O(2)V2Sn2 trigonal pyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one V(2), two equivalent V(3), and one Sn(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent V(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   6.631
_cell_length_c   6.755
_cell_angle_alpha   75.546
_cell_angle_beta   104.454
_cell_angle_gamma   146.864
_symmetry_Int_Tables_number   1
_cell_volume   156.756
_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  0.980  0.020  0.983  1.0
  V  V1  1  0.406  0.594  0.327  1.0
  V  V2  1  0.604  0.396  0.695  1.0
  V  V3  1  0.301  0.699  0.720  1.0
  Sn  Sn4  1  0.699  0.301  0.276  1.0
  O  O5  1  0.151  0.849  0.740  1.0
  O  O6  1  0.246  0.754  0.367  1.0
  O  O7  1  0.384  0.616  0.977  1.0
  O  O8  1  0.440  0.560  0.628  1.0
  O  O9  1  0.567  0.433  0.388  1.0
  O  O10  1  0.591  0.409  1.000  1.0
  O  O11  1  0.770  0.230  0.662  1.0
  O  O12  1  0.863  0.137  0.248  1.0
[/CIF]
.