The compound described by Mn3(VO4)2 crystallizes in the orthorhombic Cmce space group. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with four equivalent Mn(1)O6 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), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one Mn(2), and two equivalent Mn(1) atoms. 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. is represented by the CIF card [CIF]
data_Mn3V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.154
_cell_length_b   6.621
_cell_length_c   8.409
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.683
_symmetry_Int_Tables_number   1
_cell_volume   303.389
_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  0.112  0.724  0.250  1.0
  Mn  Mn1  1  0.388  0.276  0.750  1.0
  Mn  Mn2  1  0.612  0.724  0.250  1.0
  Mn  Mn3  1  0.888  0.276  0.750  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  1.000  1.000  0.000  1.0
  V  V6  1  0.880  0.759  0.618  1.0
  V  V7  1  0.120  0.241  0.382  1.0
  V  V8  1  0.620  0.241  0.118  1.0
  V  V9  1  0.380  0.759  0.882  1.0
  O  O10  1  0.112  0.766  0.499  1.0
  O  O11  1  0.346  0.234  0.501  1.0
  O  O12  1  0.388  0.234  0.999  1.0
  O  O13  1  0.154  0.766  0.001  1.0
  O  O14  1  0.888  0.234  0.501  1.0
  O  O15  1  0.654  0.766  0.499  1.0
  O  O16  1  0.612  0.766  0.001  1.0
  O  O17  1  0.846  0.234  0.999  1.0
  O  O18  1  0.500  0.000  0.749  1.0
  O  O19  1  0.500  1.000  0.251  1.0
  O  O20  1  0.253  0.506  0.774  1.0
  O  O21  1  0.747  0.494  0.226  1.0
  O  O22  1  0.247  0.494  0.274  1.0
  O  O23  1  1.000  1.000  0.249  1.0
  O  O24  1  0.000  0.000  0.751  1.0
  O  O25  1  0.753  0.506  0.726  1.0
[/CIF]
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The compound described by Mn3(VO4)2 crystallizes in the orthorhombic Cmce space group. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with four equivalent Mn(1)O6 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), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one Mn(2), and two equivalent Mn(1) atoms. 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. is represented by the CIF card [CIF]
data_Mn3V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.154
_cell_length_b   6.621
_cell_length_c   8.409
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.683
_symmetry_Int_Tables_number   1
_cell_volume   303.389
_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  0.112  0.724  0.250  1.0
  Mn  Mn1  1  0.388  0.276  0.750  1.0
  Mn  Mn2  1  0.612  0.724  0.250  1.0
  Mn  Mn3  1  0.888  0.276  0.750  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  1.000  1.000  0.000  1.0
  V  V6  1  0.880  0.759  0.618  1.0
  V  V7  1  0.120  0.241  0.382  1.0
  V  V8  1  0.620  0.241  0.118  1.0
  V  V9  1  0.380  0.759  0.882  1.0
  O  O10  1  0.112  0.766  0.499  1.0
  O  O11  1  0.346  0.234  0.501  1.0
  O  O12  1  0.388  0.234  0.999  1.0
  O  O13  1  0.154  0.766  0.001  1.0
  O  O14  1  0.888  0.234  0.501  1.0
  O  O15  1  0.654  0.766  0.499  1.0
  O  O16  1  0.612  0.766  0.001  1.0
  O  O17  1  0.846  0.234  0.999  1.0
  O  O18  1  0.500  0.000  0.749  1.0
  O  O19  1  0.500  1.000  0.251  1.0
  O  O20  1  0.253  0.506  0.774  1.0
  O  O21  1  0.747  0.494  0.226  1.0
  O  O22  1  0.247  0.494  0.274  1.0
  O  O23  1  1.000  1.000  0.249  1.0
  O  O24  1  0.000  0.000  0.751  1.0
  O  O25  1  0.753  0.506  0.726  1.0
[/CIF]
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