The structure described by Mn2PO5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted edge-sharing OMn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.308
_cell_length_b   7.308
_cell_length_c   9.740
_cell_angle_alpha   62.556
_cell_angle_beta   62.556
_cell_angle_gamma   52.933
_symmetry_Int_Tables_number   1
_cell_volume   355.815
_cell_formula_units_Z   4
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  0.746  0.525  0.165  1.0
  Mn  Mn1  1  0.217  0.698  0.483  1.0
  Mn  Mn2  1  0.302  0.783  0.017  1.0
  Mn  Mn3  1  0.525  0.746  0.665  1.0
  Mn  Mn4  1  0.475  0.254  0.335  1.0
  Mn  Mn5  1  0.698  0.217  0.983  1.0
  Mn  Mn6  1  0.783  0.302  0.517  1.0
  Mn  Mn7  1  0.254  0.475  0.835  1.0
  P  P8  1  0.732  0.908  0.809  1.0
  P  P9  1  0.092  0.268  0.691  1.0
  P  P10  1  0.908  0.732  0.309  1.0
  P  P11  1  0.268  0.092  0.191  1.0
  O  O12  1  0.895  0.942  0.643  1.0
  O  O13  1  0.126  0.293  0.068  1.0
  O  O14  1  0.412  0.858  0.142  1.0
  O  O15  1  0.149  0.437  0.695  1.0
  O  O16  1  0.563  0.851  0.805  1.0
  O  O17  1  0.583  0.386  0.387  1.0
  O  O18  1  0.614  0.417  0.113  1.0
  O  O19  1  0.058  0.105  0.857  1.0
  O  O20  1  0.293  0.126  0.568  1.0
  O  O21  1  0.142  0.588  0.358  1.0
  O  O22  1  0.858  0.412  0.642  1.0
  O  O23  1  0.707  0.874  0.432  1.0
  O  O24  1  0.942  0.895  0.143  1.0
  O  O25  1  0.386  0.583  0.887  1.0
  O  O26  1  0.417  0.614  0.613  1.0
  O  O27  1  0.437  0.149  0.195  1.0
  O  O28  1  0.851  0.563  0.305  1.0
  O  O29  1  0.588  0.142  0.858  1.0
  O  O30  1  0.874  0.707  0.932  1.0
  O  O31  1  0.105  0.058  0.357  1.0
[/CIF]
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The structure described by Mn2PO5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted edge-sharing OMn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.308
_cell_length_b   7.308
_cell_length_c   9.740
_cell_angle_alpha   62.556
_cell_angle_beta   62.556
_cell_angle_gamma   52.933
_symmetry_Int_Tables_number   1
_cell_volume   355.815
_cell_formula_units_Z   4
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  0.746  0.525  0.165  1.0
  Mn  Mn1  1  0.217  0.698  0.483  1.0
  Mn  Mn2  1  0.302  0.783  0.017  1.0
  Mn  Mn3  1  0.525  0.746  0.665  1.0
  Mn  Mn4  1  0.475  0.254  0.335  1.0
  Mn  Mn5  1  0.698  0.217  0.983  1.0
  Mn  Mn6  1  0.783  0.302  0.517  1.0
  Mn  Mn7  1  0.254  0.475  0.835  1.0
  P  P8  1  0.732  0.908  0.809  1.0
  P  P9  1  0.092  0.268  0.691  1.0
  P  P10  1  0.908  0.732  0.309  1.0
  P  P11  1  0.268  0.092  0.191  1.0
  O  O12  1  0.895  0.942  0.643  1.0
  O  O13  1  0.126  0.293  0.068  1.0
  O  O14  1  0.412  0.858  0.142  1.0
  O  O15  1  0.149  0.437  0.695  1.0
  O  O16  1  0.563  0.851  0.805  1.0
  O  O17  1  0.583  0.386  0.387  1.0
  O  O18  1  0.614  0.417  0.113  1.0
  O  O19  1  0.058  0.105  0.857  1.0
  O  O20  1  0.293  0.126  0.568  1.0
  O  O21  1  0.142  0.588  0.358  1.0
  O  O22  1  0.858  0.412  0.642  1.0
  O  O23  1  0.707  0.874  0.432  1.0
  O  O24  1  0.942  0.895  0.143  1.0
  O  O25  1  0.386  0.583  0.887  1.0
  O  O26  1  0.417  0.614  0.613  1.0
  O  O27  1  0.437  0.149  0.195  1.0
  O  O28  1  0.851  0.563  0.305  1.0
  O  O29  1  0.588  0.142  0.858  1.0
  O  O30  1  0.874  0.707  0.932  1.0
  O  O31  1  0.105  0.058  0.357  1.0
[/CIF]
.