The structure described by MnV2O6 crystallizes in the monoclinic C2/m space group. V(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), and three equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing MnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent V(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(1) atoms. is represented by the CIF file [CIF]
data_MnV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.506
_cell_length_b   4.977
_cell_length_c   6.660
_cell_angle_alpha   111.749
_cell_angle_beta   90.019
_cell_angle_gamma   110.614
_symmetry_Int_Tables_number   1
_cell_volume   99.888
_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
  Mn  Mn0  1  0.000  1.000  0.000  1.0
  O  O1  1  0.654  0.307  0.112  1.0
  O  O2  1  0.346  0.693  0.888  1.0
  O  O3  1  0.970  0.940  0.286  1.0
  O  O4  1  0.030  0.060  0.714  1.0
  O  O5  1  0.693  0.385  0.564  1.0
  O  O6  1  0.307  0.615  0.436  1.0
  V  V7  1  0.812  0.625  0.353  1.0
  V  V8  1  0.188  0.375  0.647  1.0
[/CIF]
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The structure described by MnV2O6 crystallizes in the monoclinic C2/m space group. V(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), and three equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing MnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent V(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(1) atoms. is represented by the CIF file [CIF]
data_MnV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.506
_cell_length_b   4.977
_cell_length_c   6.660
_cell_angle_alpha   111.749
_cell_angle_beta   90.019
_cell_angle_gamma   110.614
_symmetry_Int_Tables_number   1
_cell_volume   99.888
_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
  Mn  Mn0  1  0.000  1.000  0.000  1.0
  O  O1  1  0.654  0.307  0.112  1.0
  O  O2  1  0.346  0.693  0.888  1.0
  O  O3  1  0.970  0.940  0.286  1.0
  O  O4  1  0.030  0.060  0.714  1.0
  O  O5  1  0.693  0.385  0.564  1.0
  O  O6  1  0.307  0.615  0.436  1.0
  V  V7  1  0.812  0.625  0.353  1.0
  V  V8  1  0.188  0.375  0.647  1.0
[/CIF]
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