The compound described by V2MnO7 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-60°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-47°. Mn(1) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Mn(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one Mn(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Mn(1) atom. is represented by the CIF card [CIF]
data_MnV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.845
_cell_length_b   7.000
_cell_length_c   7.910
_cell_angle_alpha   79.924
_cell_angle_beta   82.013
_cell_angle_gamma   74.963
_symmetry_Int_Tables_number   1
_cell_volume   306.228
_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  0.912  0.657  0.653  1.0
  Mn  Mn1  1  0.088  0.343  0.347  1.0
  V  V2  1  0.901  0.150  0.761  1.0
  V  V3  1  0.099  0.850  0.239  1.0
  V  V4  1  0.302  0.325  0.908  1.0
  V  V5  1  0.698  0.675  0.092  1.0
  O  O6  1  0.608  0.186  0.870  1.0
  O  O7  1  0.392  0.814  0.130  1.0
  O  O8  1  0.114  0.161  0.904  1.0
  O  O9  1  0.886  0.839  0.096  1.0
  O  O10  1  0.917  0.343  0.593  1.0
  O  O11  1  0.083  0.657  0.407  1.0
  O  O12  1  0.975  0.930  0.688  1.0
  O  O13  1  0.025  0.070  0.312  1.0
  O  O14  1  0.225  0.519  0.750  1.0
  O  O15  1  0.775  0.481  0.250  1.0
  O  O16  1  0.247  0.404  0.105  1.0
  O  O17  1  0.753  0.596  0.895  1.0
  O  O18  1  0.635  0.762  0.572  1.0
  O  O19  1  0.365  0.238  0.428  1.0
[/CIF]
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The compound described by V2MnO7 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-60°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-47°. Mn(1) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Mn(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one Mn(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Mn(1) atom. is represented by the CIF card [CIF]
data_MnV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.845
_cell_length_b   7.000
_cell_length_c   7.910
_cell_angle_alpha   79.924
_cell_angle_beta   82.013
_cell_angle_gamma   74.963
_symmetry_Int_Tables_number   1
_cell_volume   306.228
_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  0.912  0.657  0.653  1.0
  Mn  Mn1  1  0.088  0.343  0.347  1.0
  V  V2  1  0.901  0.150  0.761  1.0
  V  V3  1  0.099  0.850  0.239  1.0
  V  V4  1  0.302  0.325  0.908  1.0
  V  V5  1  0.698  0.675  0.092  1.0
  O  O6  1  0.608  0.186  0.870  1.0
  O  O7  1  0.392  0.814  0.130  1.0
  O  O8  1  0.114  0.161  0.904  1.0
  O  O9  1  0.886  0.839  0.096  1.0
  O  O10  1  0.917  0.343  0.593  1.0
  O  O11  1  0.083  0.657  0.407  1.0
  O  O12  1  0.975  0.930  0.688  1.0
  O  O13  1  0.025  0.070  0.312  1.0
  O  O14  1  0.225  0.519  0.750  1.0
  O  O15  1  0.775  0.481  0.250  1.0
  O  O16  1  0.247  0.404  0.105  1.0
  O  O17  1  0.753  0.596  0.895  1.0
  O  O18  1  0.635  0.762  0.572  1.0
  O  O19  1  0.365  0.238  0.428  1.0
[/CIF]
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