The material structure 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 one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with five equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 69°. In the second Mn site, Mn(2) 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 P(1)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and edges with two equivalent Mn(1)O5 trigonal bipyramids. 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(2)O6 octahedra and corners with five equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), 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 distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.655
_cell_length_b   5.242
_cell_length_c   9.942
_cell_angle_alpha   63.626
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.775
_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  0.657  0.784  0.127  1.0
  Mn  Mn1  1  0.343  0.216  0.873  1.0
  Mn  Mn2  1  0.843  0.784  0.627  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.157  0.216  0.373  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  P  P6  1  0.834  0.156  0.806  1.0
  P  P7  1  0.666  0.156  0.306  1.0
  P  P8  1  0.166  0.844  0.194  1.0
  P  P9  1  0.334  0.844  0.694  1.0
  O  O10  1  0.873  0.857  0.817  1.0
  O  O11  1  0.627  0.857  0.317  1.0
  O  O12  1  0.484  0.263  0.363  1.0
  O  O13  1  0.292  0.632  0.857  1.0
  O  O14  1  0.708  0.368  0.143  1.0
  O  O15  1  0.344  0.868  0.089  1.0
  O  O16  1  0.127  0.143  0.183  1.0
  O  O17  1  0.373  0.143  0.683  1.0
  O  O18  1  0.656  0.132  0.911  1.0
  O  O19  1  0.208  0.632  0.357  1.0
  O  O20  1  0.792  0.368  0.643  1.0
  O  O21  1  0.516  0.737  0.637  1.0
  O  O22  1  0.016  0.263  0.863  1.0
  O  O23  1  0.984  0.737  0.137  1.0
  O  O24  1  0.844  0.132  0.411  1.0
  O  O25  1  0.156  0.868  0.589  1.0
[/CIF]
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The material structure 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 one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with five equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 69°. In the second Mn site, Mn(2) 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 P(1)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and edges with two equivalent Mn(1)O5 trigonal bipyramids. 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(2)O6 octahedra and corners with five equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), 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 distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.655
_cell_length_b   5.242
_cell_length_c   9.942
_cell_angle_alpha   63.626
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.775
_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  0.657  0.784  0.127  1.0
  Mn  Mn1  1  0.343  0.216  0.873  1.0
  Mn  Mn2  1  0.843  0.784  0.627  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.157  0.216  0.373  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  P  P6  1  0.834  0.156  0.806  1.0
  P  P7  1  0.666  0.156  0.306  1.0
  P  P8  1  0.166  0.844  0.194  1.0
  P  P9  1  0.334  0.844  0.694  1.0
  O  O10  1  0.873  0.857  0.817  1.0
  O  O11  1  0.627  0.857  0.317  1.0
  O  O12  1  0.484  0.263  0.363  1.0
  O  O13  1  0.292  0.632  0.857  1.0
  O  O14  1  0.708  0.368  0.143  1.0
  O  O15  1  0.344  0.868  0.089  1.0
  O  O16  1  0.127  0.143  0.183  1.0
  O  O17  1  0.373  0.143  0.683  1.0
  O  O18  1  0.656  0.132  0.911  1.0
  O  O19  1  0.208  0.632  0.357  1.0
  O  O20  1  0.792  0.368  0.643  1.0
  O  O21  1  0.516  0.737  0.637  1.0
  O  O22  1  0.016  0.263  0.863  1.0
  O  O23  1  0.984  0.737  0.137  1.0
  O  O24  1  0.844  0.132  0.411  1.0
  O  O25  1  0.156  0.868  0.589  1.0
[/CIF]
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