The material described by MnPO4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(8) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(8) atoms. In the third Mn site, Mn(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mn(4)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-50°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-51°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(3) atom. is represented by the CIF card [CIF]
data_MnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.184
_cell_length_b   8.395
_cell_length_c   8.455
_cell_angle_alpha   119.696
_cell_angle_beta   93.752
_cell_angle_gamma   89.802
_symmetry_Int_Tables_number   1
_cell_volume   441.785
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.050  0.328  0.671  1.0
  Mn  Mn3  1  0.451  0.337  0.661  1.0
  Mn  Mn4  1  0.950  0.672  0.329  1.0
  Mn  Mn5  1  0.549  0.663  0.339  1.0
  P  P6  1  0.742  0.038  0.360  1.0
  P  P7  1  0.755  0.636  0.678  1.0
  P  P8  1  0.244  0.679  0.041  1.0
  P  P9  1  0.756  0.321  0.959  1.0
  P  P10  1  0.245  0.364  0.322  1.0
  P  P11  1  0.258  0.962  0.640  1.0
  O  O12  1  0.225  0.158  0.188  1.0
  O  O13  1  0.260  0.399  0.523  1.0
  O  O14  1  0.922  0.158  0.445  1.0
  O  O15  1  0.568  0.145  0.438  1.0
  O  O16  1  0.579  0.565  0.721  1.0
  O  O17  1  0.932  0.546  0.704  1.0
  O  O18  1  0.247  0.133  0.607  1.0
  O  O19  1  0.249  0.815  0.969  1.0
  O  O20  1  0.237  0.477  0.876  1.0
  O  O21  1  0.732  0.966  0.153  1.0
  O  O22  1  0.929  0.278  0.847  1.0
  O  O23  1  0.574  0.295  0.841  1.0
  O  O24  1  0.071  0.722  0.153  1.0
  O  O25  1  0.426  0.705  0.159  1.0
  O  O26  1  0.268  0.034  0.847  1.0
  O  O27  1  0.763  0.523  0.124  1.0
  O  O28  1  0.751  0.185  0.031  1.0
  O  O29  1  0.753  0.867  0.393  1.0
  O  O30  1  0.421  0.435  0.279  1.0
  O  O31  1  0.068  0.454  0.296  1.0
  O  O32  1  0.078  0.842  0.555  1.0
  O  O33  1  0.432  0.855  0.562  1.0
  O  O34  1  0.740  0.601  0.477  1.0
  O  O35  1  0.775  0.842  0.812  1.0
[/CIF]
.
The material described by MnPO4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(8) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(8) atoms. In the third Mn site, Mn(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mn(4)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-50°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-51°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(3) atom. is represented by the CIF card [CIF]
data_MnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.184
_cell_length_b   8.395
_cell_length_c   8.455
_cell_angle_alpha   119.696
_cell_angle_beta   93.752
_cell_angle_gamma   89.802
_symmetry_Int_Tables_number   1
_cell_volume   441.785
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.050  0.328  0.671  1.0
  Mn  Mn3  1  0.451  0.337  0.661  1.0
  Mn  Mn4  1  0.950  0.672  0.329  1.0
  Mn  Mn5  1  0.549  0.663  0.339  1.0
  P  P6  1  0.742  0.038  0.360  1.0
  P  P7  1  0.755  0.636  0.678  1.0
  P  P8  1  0.244  0.679  0.041  1.0
  P  P9  1  0.756  0.321  0.959  1.0
  P  P10  1  0.245  0.364  0.322  1.0
  P  P11  1  0.258  0.962  0.640  1.0
  O  O12  1  0.225  0.158  0.188  1.0
  O  O13  1  0.260  0.399  0.523  1.0
  O  O14  1  0.922  0.158  0.445  1.0
  O  O15  1  0.568  0.145  0.438  1.0
  O  O16  1  0.579  0.565  0.721  1.0
  O  O17  1  0.932  0.546  0.704  1.0
  O  O18  1  0.247  0.133  0.607  1.0
  O  O19  1  0.249  0.815  0.969  1.0
  O  O20  1  0.237  0.477  0.876  1.0
  O  O21  1  0.732  0.966  0.153  1.0
  O  O22  1  0.929  0.278  0.847  1.0
  O  O23  1  0.574  0.295  0.841  1.0
  O  O24  1  0.071  0.722  0.153  1.0
  O  O25  1  0.426  0.705  0.159  1.0
  O  O26  1  0.268  0.034  0.847  1.0
  O  O27  1  0.763  0.523  0.124  1.0
  O  O28  1  0.751  0.185  0.031  1.0
  O  O29  1  0.753  0.867  0.393  1.0
  O  O30  1  0.421  0.435  0.279  1.0
  O  O31  1  0.068  0.454  0.296  1.0
  O  O32  1  0.078  0.842  0.555  1.0
  O  O33  1  0.432  0.855  0.562  1.0
  O  O34  1  0.740  0.601  0.477  1.0
  O  O35  1  0.775  0.842  0.812  1.0
[/CIF]
.