The crystal structure described by Mn2PO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(2)O5 square pyramid, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form MnO5 square pyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, edges with three equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 29°. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with three equivalent Mn(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 45-58°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form edge-sharing OMn4 trigonal pyramids. 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 distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.101
_cell_length_b   6.500
_cell_length_c   6.942
_cell_angle_alpha   110.070
_cell_angle_beta   101.505
_cell_angle_gamma   104.825
_symmetry_Int_Tables_number   1
_cell_volume   198.289
_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  0.834  0.736  0.377  1.0
  Mn  Mn1  1  0.633  0.045  0.742  1.0
  Mn  Mn2  1  0.367  0.955  0.258  1.0
  Mn  Mn3  1  0.166  0.264  0.623  1.0
  P  P4  1  0.834  0.614  0.815  1.0
  P  P5  1  0.166  0.386  0.185  1.0
  O  O6  1  0.918  0.447  0.259  1.0
  O  O7  1  0.773  0.042  0.463  1.0
  O  O8  1  0.945  0.780  0.058  1.0
  O  O9  1  0.591  0.387  0.781  1.0
  O  O10  1  0.708  0.729  0.676  1.0
  O  O11  1  0.292  0.271  0.324  1.0
  O  O12  1  0.409  0.613  0.219  1.0
  O  O13  1  0.055  0.220  0.942  1.0
  O  O14  1  0.227  0.958  0.537  1.0
  O  O15  1  0.082  0.553  0.741  1.0
[/CIF]
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The crystal structure described by Mn2PO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(2)O5 square pyramid, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form MnO5 square pyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, edges with three equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 29°. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with three equivalent Mn(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 45-58°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form edge-sharing OMn4 trigonal pyramids. 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 distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.101
_cell_length_b   6.500
_cell_length_c   6.942
_cell_angle_alpha   110.070
_cell_angle_beta   101.505
_cell_angle_gamma   104.825
_symmetry_Int_Tables_number   1
_cell_volume   198.289
_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  0.834  0.736  0.377  1.0
  Mn  Mn1  1  0.633  0.045  0.742  1.0
  Mn  Mn2  1  0.367  0.955  0.258  1.0
  Mn  Mn3  1  0.166  0.264  0.623  1.0
  P  P4  1  0.834  0.614  0.815  1.0
  P  P5  1  0.166  0.386  0.185  1.0
  O  O6  1  0.918  0.447  0.259  1.0
  O  O7  1  0.773  0.042  0.463  1.0
  O  O8  1  0.945  0.780  0.058  1.0
  O  O9  1  0.591  0.387  0.781  1.0
  O  O10  1  0.708  0.729  0.676  1.0
  O  O11  1  0.292  0.271  0.324  1.0
  O  O12  1  0.409  0.613  0.219  1.0
  O  O13  1  0.055  0.220  0.942  1.0
  O  O14  1  0.227  0.958  0.537  1.0
  O  O15  1  0.082  0.553  0.741  1.0
[/CIF]
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