The structure described by V3MnO8 is quartz (alpha)-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent V(3)O4 tetrahedra and corners with two equivalent Mn(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent V(3)O4 tetrahedra and corners with two equivalent Mn(1)O4 tetrahedra. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing VO4 tetrahedra. Mn(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Mn(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.691
_cell_length_b   5.702
_cell_length_c   7.579
_cell_angle_alpha   90.272
_cell_angle_beta   90.317
_cell_angle_gamma   90.595
_symmetry_Int_Tables_number   1
_cell_volume   245.957
_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  0.069  0.511  0.877  1.0
  V  V1  1  0.936  0.014  0.129  1.0
  V  V2  1  0.566  0.495  0.620  1.0
  V  V3  1  0.438  0.994  0.376  1.0
  O  O4  1  0.961  0.301  0.078  1.0
  O  O5  1  0.854  0.454  0.664  1.0
  O  O6  1  0.639  0.942  0.197  1.0
  O  O7  1  0.517  0.791  0.547  1.0
  O  O8  1  0.470  0.296  0.448  1.0
  O  O9  1  0.406  0.450  0.805  1.0
  O  O10  1  0.135  0.952  0.308  1.0
  O  O11  1  0.007  0.849  0.951  1.0
[/CIF]
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The structure described by V3MnO8 is quartz (alpha)-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent V(3)O4 tetrahedra and corners with two equivalent Mn(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent V(3)O4 tetrahedra and corners with two equivalent Mn(1)O4 tetrahedra. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing VO4 tetrahedra. Mn(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Mn(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.691
_cell_length_b   5.702
_cell_length_c   7.579
_cell_angle_alpha   90.272
_cell_angle_beta   90.317
_cell_angle_gamma   90.595
_symmetry_Int_Tables_number   1
_cell_volume   245.957
_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  0.069  0.511  0.877  1.0
  V  V1  1  0.936  0.014  0.129  1.0
  V  V2  1  0.566  0.495  0.620  1.0
  V  V3  1  0.438  0.994  0.376  1.0
  O  O4  1  0.961  0.301  0.078  1.0
  O  O5  1  0.854  0.454  0.664  1.0
  O  O6  1  0.639  0.942  0.197  1.0
  O  O7  1  0.517  0.791  0.547  1.0
  O  O8  1  0.470  0.296  0.448  1.0
  O  O9  1  0.406  0.450  0.805  1.0
  O  O10  1  0.135  0.952  0.308  1.0
  O  O11  1  0.007  0.849  0.951  1.0
[/CIF]
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