The material described by MgVMn3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. V(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_MgMn3VO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.564
_cell_length_b   10.519
_cell_length_c   14.951
_cell_angle_alpha   19.176
_cell_angle_beta   19.160
_cell_angle_gamma   33.012
_symmetry_Int_Tables_number   1
_cell_volume   155.373
_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  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.000  1.0
  Mn  Mn2  1  0.500  0.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.000  0.952  0.295  1.0
  O  O6  1  0.999  0.494  0.272  1.0
  O  O7  1  0.549  0.042  0.203  1.0
  O  O8  1  1.000  0.048  0.705  1.0
  O  O9  1  0.451  0.495  0.300  1.0
  O  O10  1  0.001  0.506  0.728  1.0
  O  O11  1  0.451  0.958  0.797  1.0
  O  O12  1  0.549  0.505  0.700  1.0
[/CIF]
.
The material described by MgVMn3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. V(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_MgMn3VO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.564
_cell_length_b   10.519
_cell_length_c   14.951
_cell_angle_alpha   19.176
_cell_angle_beta   19.160
_cell_angle_gamma   33.012
_symmetry_Int_Tables_number   1
_cell_volume   155.373
_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  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.000  1.0
  Mn  Mn2  1  0.500  0.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.000  0.952  0.295  1.0
  O  O6  1  0.999  0.494  0.272  1.0
  O  O7  1  0.549  0.042  0.203  1.0
  O  O8  1  1.000  0.048  0.705  1.0
  O  O9  1  0.451  0.495  0.300  1.0
  O  O10  1  0.001  0.506  0.728  1.0
  O  O11  1  0.451  0.958  0.797  1.0
  O  O12  1  0.549  0.505  0.700  1.0
[/CIF]
.