The material structure described by MnPO4 crystallizes in the monoclinic P2_1 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 one O(7) atom to form MnO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(4), one O(6), one O(8), and two equivalent O(5) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with two equivalent Mn(2)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra and corners with three equivalent Mn(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra and corners with two equivalent Mn(2)O5 trigonal bipyramids. There are eight 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 in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.394
_cell_length_b   4.862
_cell_length_c   9.098
_cell_angle_alpha   90.017
_cell_angle_beta   110.053
_cell_angle_gamma   89.978
_symmetry_Int_Tables_number   1
_cell_volume   348.754
_cell_formula_units_Z   4
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  0.538  0.847  0.257  1.0
  Mn  Mn1  1  0.462  0.348  0.743  1.0
  Mn  Mn2  1  0.014  0.996  0.178  1.0
  Mn  Mn3  1  0.986  0.496  0.822  1.0
  P  P4  1  0.242  0.038  0.929  1.0
  P  P5  1  0.752  0.016  0.631  1.0
  P  P6  1  0.248  0.516  0.369  1.0
  P  P7  1  0.758  0.538  0.071  1.0
  O  O8  1  0.274  0.187  0.793  1.0
  O  O9  1  0.590  0.530  0.929  1.0
  O  O10  1  0.369  0.614  0.284  1.0
  O  O11  1  0.190  0.222  0.312  1.0
  O  O12  1  0.105  0.206  0.974  1.0
  O  O13  1  0.905  0.214  0.666  1.0
  O  O14  1  0.631  0.114  0.716  1.0
  O  O15  1  0.095  0.714  0.334  1.0
  O  O16  1  0.340  0.510  0.548  1.0
  O  O17  1  0.810  0.722  0.688  1.0
  O  O18  1  0.895  0.706  0.026  1.0
  O  O19  1  0.660  0.010  0.452  1.0
  O  O20  1  0.178  0.743  0.884  1.0
  O  O21  1  0.726  0.688  0.207  1.0
  O  O22  1  0.410  0.030  0.071  1.0
  O  O23  1  0.822  0.243  0.116  1.0
[/CIF]
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The material structure described by MnPO4 crystallizes in the monoclinic P2_1 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 one O(7) atom to form MnO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(4), one O(6), one O(8), and two equivalent O(5) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with two equivalent Mn(2)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra and corners with three equivalent Mn(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra and corners with two equivalent Mn(2)O5 trigonal bipyramids. There are eight 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 in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.394
_cell_length_b   4.862
_cell_length_c   9.098
_cell_angle_alpha   90.017
_cell_angle_beta   110.053
_cell_angle_gamma   89.978
_symmetry_Int_Tables_number   1
_cell_volume   348.754
_cell_formula_units_Z   4
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  0.538  0.847  0.257  1.0
  Mn  Mn1  1  0.462  0.348  0.743  1.0
  Mn  Mn2  1  0.014  0.996  0.178  1.0
  Mn  Mn3  1  0.986  0.496  0.822  1.0
  P  P4  1  0.242  0.038  0.929  1.0
  P  P5  1  0.752  0.016  0.631  1.0
  P  P6  1  0.248  0.516  0.369  1.0
  P  P7  1  0.758  0.538  0.071  1.0
  O  O8  1  0.274  0.187  0.793  1.0
  O  O9  1  0.590  0.530  0.929  1.0
  O  O10  1  0.369  0.614  0.284  1.0
  O  O11  1  0.190  0.222  0.312  1.0
  O  O12  1  0.105  0.206  0.974  1.0
  O  O13  1  0.905  0.214  0.666  1.0
  O  O14  1  0.631  0.114  0.716  1.0
  O  O15  1  0.095  0.714  0.334  1.0
  O  O16  1  0.340  0.510  0.548  1.0
  O  O17  1  0.810  0.722  0.688  1.0
  O  O18  1  0.895  0.706  0.026  1.0
  O  O19  1  0.660  0.010  0.452  1.0
  O  O20  1  0.178  0.743  0.884  1.0
  O  O21  1  0.726  0.688  0.207  1.0
  O  O22  1  0.410  0.030  0.071  1.0
  O  O23  1  0.822  0.243  0.116  1.0
[/CIF]
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