The crystal structure described by MnPO4 crystallizes in the orthorhombic Pnma space group. Mn(1) 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 and edges with two equivalent Mn(1)O6 octahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. There are three 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 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mn(1) 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   6.513
_cell_length_b   8.501
_cell_length_c   4.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.176
_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  0.000  0.500  0.500  1.0
  Mn  Mn1  1  1.000  0.000  1.000  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.500  1.000  1.000  1.0
  P  P4  1  0.250  0.821  0.538  1.0
  P  P5  1  0.250  0.321  0.962  1.0
  P  P6  1  0.750  0.679  0.038  1.0
  P  P7  1  0.750  0.179  0.462  1.0
  O  O8  1  0.055  0.876  0.687  1.0
  O  O9  1  0.055  0.376  0.813  1.0
  O  O10  1  0.250  0.876  0.233  1.0
  O  O11  1  0.250  0.636  0.569  1.0
  O  O12  1  0.250  0.376  0.267  1.0
  O  O13  1  0.250  0.136  0.931  1.0
  O  O14  1  0.445  0.876  0.687  1.0
  O  O15  1  0.445  0.376  0.813  1.0
  O  O16  1  0.555  0.624  0.187  1.0
  O  O17  1  0.555  0.124  0.313  1.0
  O  O18  1  0.750  0.864  0.069  1.0
  O  O19  1  0.750  0.624  0.733  1.0
  O  O20  1  0.750  0.364  0.431  1.0
  O  O21  1  0.750  0.124  0.767  1.0
  O  O22  1  0.945  0.624  0.187  1.0
  O  O23  1  0.945  0.124  0.313  1.0
[/CIF]
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The crystal structure described by MnPO4 crystallizes in the orthorhombic Pnma space group. Mn(1) 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 and edges with two equivalent Mn(1)O6 octahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. There are three 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 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mn(1) 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   6.513
_cell_length_b   8.501
_cell_length_c   4.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.176
_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  0.000  0.500  0.500  1.0
  Mn  Mn1  1  1.000  0.000  1.000  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.500  1.000  1.000  1.0
  P  P4  1  0.250  0.821  0.538  1.0
  P  P5  1  0.250  0.321  0.962  1.0
  P  P6  1  0.750  0.679  0.038  1.0
  P  P7  1  0.750  0.179  0.462  1.0
  O  O8  1  0.055  0.876  0.687  1.0
  O  O9  1  0.055  0.376  0.813  1.0
  O  O10  1  0.250  0.876  0.233  1.0
  O  O11  1  0.250  0.636  0.569  1.0
  O  O12  1  0.250  0.376  0.267  1.0
  O  O13  1  0.250  0.136  0.931  1.0
  O  O14  1  0.445  0.876  0.687  1.0
  O  O15  1  0.445  0.376  0.813  1.0
  O  O16  1  0.555  0.624  0.187  1.0
  O  O17  1  0.555  0.124  0.313  1.0
  O  O18  1  0.750  0.864  0.069  1.0
  O  O19  1  0.750  0.624  0.733  1.0
  O  O20  1  0.750  0.364  0.431  1.0
  O  O21  1  0.750  0.124  0.767  1.0
  O  O22  1  0.945  0.624  0.187  1.0
  O  O23  1  0.945  0.124  0.313  1.0
[/CIF]
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