The compound described by Mn3(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O5 square pyramids, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent Mn(2)O5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted MnO5 square pyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. 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 three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O5 square pyramids, and  an edgeedge with one Mn(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 32-52°. There are four 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 one Mn(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar 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 T-shaped geometry to one Mn(1), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Mn3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.201
_cell_length_b   8.635
_cell_length_c   7.720
_cell_angle_alpha   90.000
_cell_angle_beta   86.749
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   346.156
_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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.413  0.142  0.622  1.0
  Mn  Mn2  1  0.587  0.858  0.378  1.0
  Mn  Mn3  1  1.000  1.000  0.000  1.0
  Mn  Mn4  1  0.087  0.642  0.878  1.0
  Mn  Mn5  1  0.913  0.358  0.122  1.0
  P  P6  1  0.033  0.694  0.298  1.0
  P  P7  1  0.467  0.194  0.202  1.0
  P  P8  1  0.533  0.806  0.798  1.0
  P  P9  1  0.967  0.306  0.702  1.0
  O  O10  1  0.041  0.582  0.143  1.0
  O  O11  1  0.459  0.082  0.357  1.0
  O  O12  1  0.541  0.918  0.643  1.0
  O  O13  1  0.959  0.418  0.857  1.0
  O  O14  1  0.049  0.143  0.761  1.0
  O  O15  1  0.451  0.643  0.739  1.0
  O  O16  1  0.549  0.357  0.261  1.0
  O  O17  1  0.951  0.857  0.239  1.0
  O  O18  1  0.201  0.195  0.127  1.0
  O  O19  1  0.299  0.695  0.373  1.0
  O  O20  1  0.701  0.305  0.627  1.0
  O  O21  1  0.799  0.805  0.873  1.0
  O  O22  1  0.176  0.356  0.565  1.0
  O  O23  1  0.324  0.856  0.935  1.0
  O  O24  1  0.676  0.144  0.065  1.0
  O  O25  1  0.824  0.644  0.435  1.0
[/CIF]
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The compound described by Mn3(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O5 square pyramids, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent Mn(2)O5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted MnO5 square pyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. 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 three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O5 square pyramids, and  an edgeedge with one Mn(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 32-52°. There are four 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 one Mn(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar 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 T-shaped geometry to one Mn(1), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Mn3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.201
_cell_length_b   8.635
_cell_length_c   7.720
_cell_angle_alpha   90.000
_cell_angle_beta   86.749
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   346.156
_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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.413  0.142  0.622  1.0
  Mn  Mn2  1  0.587  0.858  0.378  1.0
  Mn  Mn3  1  1.000  1.000  0.000  1.0
  Mn  Mn4  1  0.087  0.642  0.878  1.0
  Mn  Mn5  1  0.913  0.358  0.122  1.0
  P  P6  1  0.033  0.694  0.298  1.0
  P  P7  1  0.467  0.194  0.202  1.0
  P  P8  1  0.533  0.806  0.798  1.0
  P  P9  1  0.967  0.306  0.702  1.0
  O  O10  1  0.041  0.582  0.143  1.0
  O  O11  1  0.459  0.082  0.357  1.0
  O  O12  1  0.541  0.918  0.643  1.0
  O  O13  1  0.959  0.418  0.857  1.0
  O  O14  1  0.049  0.143  0.761  1.0
  O  O15  1  0.451  0.643  0.739  1.0
  O  O16  1  0.549  0.357  0.261  1.0
  O  O17  1  0.951  0.857  0.239  1.0
  O  O18  1  0.201  0.195  0.127  1.0
  O  O19  1  0.299  0.695  0.373  1.0
  O  O20  1  0.701  0.305  0.627  1.0
  O  O21  1  0.799  0.805  0.873  1.0
  O  O22  1  0.176  0.356  0.565  1.0
  O  O23  1  0.324  0.856  0.935  1.0
  O  O24  1  0.676  0.144  0.065  1.0
  O  O25  1  0.824  0.644  0.435  1.0
[/CIF]
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