The material described by MgV4SnO12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Sn(1)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-57°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-61°. Sn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4SnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.947
_cell_length_b   6.947
_cell_length_c   5.938
_cell_angle_alpha   74.038
_cell_angle_beta   105.962
_cell_angle_gamma   95.043
_symmetry_Int_Tables_number   1
_cell_volume   264.900
_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  0.077  0.077  0.750  1.0
  V  V1  1  0.213  0.592  0.755  1.0
  V  V2  1  0.392  0.789  0.254  1.0
  V  V3  1  0.592  0.213  0.745  1.0
  V  V4  1  0.789  0.392  0.246  1.0
  Sn  Sn5  1  0.916  0.916  0.250  1.0
  O  O6  1  0.041  0.813  0.616  1.0
  O  O7  1  0.085  0.375  0.770  1.0
  O  O8  1  0.192  0.957  0.142  1.0
  O  O9  1  0.372  0.637  0.535  1.0
  O  O10  1  0.375  0.085  0.730  1.0
  O  O11  1  0.360  0.641  0.052  1.0
  O  O12  1  0.637  0.372  0.965  1.0
  O  O13  1  0.623  0.907  0.288  1.0
  O  O14  1  0.641  0.360  0.448  1.0
  O  O15  1  0.813  0.041  0.884  1.0
  O  O16  1  0.907  0.623  0.212  1.0
  O  O17  1  0.957  0.192  0.358  1.0
[/CIF]
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The material described by MgV4SnO12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Sn(1)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-57°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-61°. Sn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4SnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.947
_cell_length_b   6.947
_cell_length_c   5.938
_cell_angle_alpha   74.038
_cell_angle_beta   105.962
_cell_angle_gamma   95.043
_symmetry_Int_Tables_number   1
_cell_volume   264.900
_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  0.077  0.077  0.750  1.0
  V  V1  1  0.213  0.592  0.755  1.0
  V  V2  1  0.392  0.789  0.254  1.0
  V  V3  1  0.592  0.213  0.745  1.0
  V  V4  1  0.789  0.392  0.246  1.0
  Sn  Sn5  1  0.916  0.916  0.250  1.0
  O  O6  1  0.041  0.813  0.616  1.0
  O  O7  1  0.085  0.375  0.770  1.0
  O  O8  1  0.192  0.957  0.142  1.0
  O  O9  1  0.372  0.637  0.535  1.0
  O  O10  1  0.375  0.085  0.730  1.0
  O  O11  1  0.360  0.641  0.052  1.0
  O  O12  1  0.637  0.372  0.965  1.0
  O  O13  1  0.623  0.907  0.288  1.0
  O  O14  1  0.641  0.360  0.448  1.0
  O  O15  1  0.813  0.041  0.884  1.0
  O  O16  1  0.907  0.623  0.212  1.0
  O  O17  1  0.957  0.192  0.358  1.0
[/CIF]
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