The compound described by VMn3O8 is Rutile-derived structured and crystallizes in the hexagonal P6_3mc space group. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four 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 distorted trigonal non-coplanar geometry to one V(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn3VO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.791
_cell_length_b   5.791
_cell_length_c   8.957
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   260.156
_cell_formula_units_Z   2
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  0.168  0.832  0.211  1.0
  Mn  Mn1  1  0.168  0.336  0.211  1.0
  Mn  Mn2  1  0.664  0.832  0.211  1.0
  Mn  Mn3  1  0.336  0.168  0.711  1.0
  Mn  Mn4  1  0.832  0.664  0.711  1.0
  Mn  Mn5  1  0.832  0.168  0.711  1.0
  V  V6  1  0.333  0.667  0.493  1.0
  V  V7  1  0.667  0.333  0.993  1.0
  O  O8  1  0.168  0.832  0.600  1.0
  O  O9  1  0.042  0.521  0.337  1.0
  O  O10  1  0.333  0.667  0.102  1.0
  O  O11  1  0.000  0.000  0.316  1.0
  O  O12  1  0.000  0.000  0.816  1.0
  O  O13  1  0.168  0.336  0.600  1.0
  O  O14  1  0.479  0.958  0.337  1.0
  O  O15  1  0.479  0.521  0.337  1.0
  O  O16  1  0.336  0.168  0.100  1.0
  O  O17  1  0.664  0.832  0.600  1.0
  O  O18  1  0.521  0.479  0.837  1.0
  O  O19  1  0.521  0.042  0.837  1.0
  O  O20  1  0.667  0.333  0.602  1.0
  O  O21  1  0.832  0.664  0.100  1.0
  O  O22  1  0.958  0.479  0.837  1.0
  O  O23  1  0.832  0.168  0.100  1.0
[/CIF]
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The compound described by VMn3O8 is Rutile-derived structured and crystallizes in the hexagonal P6_3mc space group. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four 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 distorted trigonal non-coplanar geometry to one V(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn3VO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.791
_cell_length_b   5.791
_cell_length_c   8.957
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   260.156
_cell_formula_units_Z   2
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  0.168  0.832  0.211  1.0
  Mn  Mn1  1  0.168  0.336  0.211  1.0
  Mn  Mn2  1  0.664  0.832  0.211  1.0
  Mn  Mn3  1  0.336  0.168  0.711  1.0
  Mn  Mn4  1  0.832  0.664  0.711  1.0
  Mn  Mn5  1  0.832  0.168  0.711  1.0
  V  V6  1  0.333  0.667  0.493  1.0
  V  V7  1  0.667  0.333  0.993  1.0
  O  O8  1  0.168  0.832  0.600  1.0
  O  O9  1  0.042  0.521  0.337  1.0
  O  O10  1  0.333  0.667  0.102  1.0
  O  O11  1  0.000  0.000  0.316  1.0
  O  O12  1  0.000  0.000  0.816  1.0
  O  O13  1  0.168  0.336  0.600  1.0
  O  O14  1  0.479  0.958  0.337  1.0
  O  O15  1  0.479  0.521  0.337  1.0
  O  O16  1  0.336  0.168  0.100  1.0
  O  O17  1  0.664  0.832  0.600  1.0
  O  O18  1  0.521  0.479  0.837  1.0
  O  O19  1  0.521  0.042  0.837  1.0
  O  O20  1  0.667  0.333  0.602  1.0
  O  O21  1  0.832  0.664  0.100  1.0
  O  O22  1  0.958  0.479  0.837  1.0
  O  O23  1  0.832  0.168  0.100  1.0
[/CIF]
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