The compound described by MnPO4 crystallizes in the monoclinic Cc space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(5), one O(7), and one O(9) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(12), one O(6), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(2)O5 trigonal bipyramids, and corners with two equivalent Mn(3)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(10), one O(11), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(2)O5 trigonal bipyramids, and corners with two equivalent Mn(3)O5 trigonal bipyramids. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a single-bond geometry to one P(2) atom. In the second O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(3) atom. In the third O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one P(2) atom. In the fourth O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the fifth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one P(1) atom. In the sixth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one P(3) atom. In the seventh O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the eighth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the ninth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the tenth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the eleventh O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(3) atom. In the twelfth O site, O(7) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one P(1) atom. is represented by the CIF card [CIF]
data_MnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.529
_cell_length_b   7.529
_cell_length_c   9.329
_cell_angle_alpha   89.992
_cell_angle_beta   90.008
_cell_angle_gamma   59.918
_symmetry_Int_Tables_number   1
_cell_volume   457.609
_cell_formula_units_Z   6
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  0.948  0.447  0.469  1.0
  Mn  Mn1  1  0.606  0.948  0.469  1.0
  Mn  Mn2  1  0.553  0.052  0.969  1.0
  Mn  Mn3  1  0.052  0.394  0.969  1.0
  Mn  Mn4  1  0.394  0.554  0.969  1.0
  Mn  Mn5  1  0.446  0.606  0.469  1.0
  P  P6  1  0.667  0.667  0.171  1.0
  P  P7  1  1.000  0.000  0.023  1.0
  P  P8  1  0.667  0.666  0.779  1.0
  P  P9  1  1.000  0.000  0.523  1.0
  P  P10  1  0.334  0.333  0.279  1.0
  P  P11  1  0.333  0.333  0.671  1.0
  O  O12  1  0.667  0.667  0.609  1.0
  O  O13  1  0.892  0.884  0.465  1.0
  O  O14  1  0.535  0.144  0.623  1.0
  O  O15  1  0.392  0.116  0.332  1.0
  O  O16  1  0.679  0.856  0.123  1.0
  O  O17  1  0.116  0.108  0.965  1.0
  O  O18  1  0.609  0.508  0.831  1.0
  O  O19  1  0.333  0.332  0.843  1.0
  O  O20  1  0.000  1.000  0.686  1.0
  O  O21  1  0.508  0.884  0.831  1.0
  O  O22  1  0.224  0.892  0.465  1.0
  O  O23  1  0.333  0.333  0.109  1.0
  O  O24  1  0.775  0.117  0.965  1.0
  O  O25  1  0.466  0.679  0.124  1.0
  O  O26  1  0.000  1.000  0.186  1.0
  O  O27  1  0.884  0.608  0.832  1.0
  O  O28  1  0.144  0.321  0.623  1.0
  O  O29  1  0.108  0.776  0.965  1.0
  O  O30  1  0.883  0.225  0.465  1.0
  O  O31  1  0.116  0.492  0.331  1.0
  O  O32  1  0.668  0.667  0.343  1.0
  O  O33  1  0.492  0.391  0.331  1.0
  O  O34  1  0.856  0.465  0.123  1.0
  O  O35  1  0.321  0.534  0.624  1.0
[/CIF]
.
The compound described by MnPO4 crystallizes in the monoclinic Cc space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(5), one O(7), and one O(9) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(12), one O(6), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(2)O5 trigonal bipyramids, and corners with two equivalent Mn(3)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(10), one O(11), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(2)O5 trigonal bipyramids, and corners with two equivalent Mn(3)O5 trigonal bipyramids. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a single-bond geometry to one P(2) atom. In the second O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(3) atom. In the third O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one P(2) atom. In the fourth O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the fifth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one P(1) atom. In the sixth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one P(3) atom. In the seventh O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the eighth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the ninth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the tenth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the eleventh O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(3) atom. In the twelfth O site, O(7) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one P(1) atom. is represented by the CIF card [CIF]
data_MnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.529
_cell_length_b   7.529
_cell_length_c   9.329
_cell_angle_alpha   89.992
_cell_angle_beta   90.008
_cell_angle_gamma   59.918
_symmetry_Int_Tables_number   1
_cell_volume   457.609
_cell_formula_units_Z   6
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  0.948  0.447  0.469  1.0
  Mn  Mn1  1  0.606  0.948  0.469  1.0
  Mn  Mn2  1  0.553  0.052  0.969  1.0
  Mn  Mn3  1  0.052  0.394  0.969  1.0
  Mn  Mn4  1  0.394  0.554  0.969  1.0
  Mn  Mn5  1  0.446  0.606  0.469  1.0
  P  P6  1  0.667  0.667  0.171  1.0
  P  P7  1  1.000  0.000  0.023  1.0
  P  P8  1  0.667  0.666  0.779  1.0
  P  P9  1  1.000  0.000  0.523  1.0
  P  P10  1  0.334  0.333  0.279  1.0
  P  P11  1  0.333  0.333  0.671  1.0
  O  O12  1  0.667  0.667  0.609  1.0
  O  O13  1  0.892  0.884  0.465  1.0
  O  O14  1  0.535  0.144  0.623  1.0
  O  O15  1  0.392  0.116  0.332  1.0
  O  O16  1  0.679  0.856  0.123  1.0
  O  O17  1  0.116  0.108  0.965  1.0
  O  O18  1  0.609  0.508  0.831  1.0
  O  O19  1  0.333  0.332  0.843  1.0
  O  O20  1  0.000  1.000  0.686  1.0
  O  O21  1  0.508  0.884  0.831  1.0
  O  O22  1  0.224  0.892  0.465  1.0
  O  O23  1  0.333  0.333  0.109  1.0
  O  O24  1  0.775  0.117  0.965  1.0
  O  O25  1  0.466  0.679  0.124  1.0
  O  O26  1  0.000  1.000  0.186  1.0
  O  O27  1  0.884  0.608  0.832  1.0
  O  O28  1  0.144  0.321  0.623  1.0
  O  O29  1  0.108  0.776  0.965  1.0
  O  O30  1  0.883  0.225  0.465  1.0
  O  O31  1  0.116  0.492  0.331  1.0
  O  O32  1  0.668  0.667  0.343  1.0
  O  O33  1  0.492  0.391  0.331  1.0
  O  O34  1  0.856  0.465  0.123  1.0
  O  O35  1  0.321  0.534  0.624  1.0
[/CIF]
.