The structure described by MgVMn3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are four 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(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded to one Mg(1), one V(1), and two equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OMgMn2V trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one V(1), one Mn(1), and one Mn(2) atom to form a mixture of edge and corner-sharing OMgMn2V trigonal pyramids. is represented by the CIF card [CIF]
data_MgMn3VO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.075
_cell_length_b   11.395
_cell_length_c   15.628
_cell_angle_alpha   17.229
_cell_angle_beta   19.682
_cell_angle_gamma   31.880
_symmetry_Int_Tables_number   1
_cell_volume   154.708
_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  0.767  0.497  0.992  1.0
  Mn  Mn1  1  0.038  0.496  0.991  1.0
  Mn  Mn2  1  0.517  0.998  0.991  1.0
  Mn  Mn3  1  0.494  0.496  0.996  1.0
  V  V4  1  0.010  0.985  0.005  1.0
  O  O5  1  0.887  0.038  0.312  1.0
  O  O6  1  0.938  0.488  0.319  1.0
  O  O7  1  0.378  0.958  0.374  1.0
  O  O8  1  0.187  0.038  0.591  1.0
  O  O9  1  0.485  0.506  0.282  1.0
  O  O10  1  0.057  0.506  0.686  1.0
  O  O11  1  0.616  0.959  0.689  1.0
  O  O12  1  0.585  0.488  0.685  1.0
[/CIF]
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The structure described by MgVMn3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are four 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(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded to one Mg(1), one V(1), and two equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OMgMn2V trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one V(1), one Mn(1), and one Mn(2) atom to form a mixture of edge and corner-sharing OMgMn2V trigonal pyramids. is represented by the CIF card [CIF]
data_MgMn3VO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.075
_cell_length_b   11.395
_cell_length_c   15.628
_cell_angle_alpha   17.229
_cell_angle_beta   19.682
_cell_angle_gamma   31.880
_symmetry_Int_Tables_number   1
_cell_volume   154.708
_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  0.767  0.497  0.992  1.0
  Mn  Mn1  1  0.038  0.496  0.991  1.0
  Mn  Mn2  1  0.517  0.998  0.991  1.0
  Mn  Mn3  1  0.494  0.496  0.996  1.0
  V  V4  1  0.010  0.985  0.005  1.0
  O  O5  1  0.887  0.038  0.312  1.0
  O  O6  1  0.938  0.488  0.319  1.0
  O  O7  1  0.378  0.958  0.374  1.0
  O  O8  1  0.187  0.038  0.591  1.0
  O  O9  1  0.485  0.506  0.282  1.0
  O  O10  1  0.057  0.506  0.686  1.0
  O  O11  1  0.616  0.959  0.689  1.0
  O  O12  1  0.585  0.488  0.685  1.0
[/CIF]
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