The material described by MnPO4 crystallizes in the orthorhombic C222_1 space group. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) 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 two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) 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   4.729
_cell_length_b   4.729
_cell_length_c   6.571
_cell_angle_alpha   89.998
_cell_angle_beta   90.001
_cell_angle_gamma   68.349
_symmetry_Int_Tables_number   1
_cell_volume   136.568
_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  0.001  1.000  0.000  1.0
  Mn  Mn1  1  1.000  0.001  0.500  1.0
  P  P2  1  0.655  0.655  0.750  1.0
  P  P3  1  0.345  0.345  0.250  1.0
  O  O4  1  0.780  0.298  0.750  1.0
  O  O5  1  0.237  0.238  0.446  1.0
  O  O6  1  0.763  0.763  0.946  1.0
  O  O7  1  0.298  0.780  0.750  1.0
  O  O8  1  0.220  0.702  0.250  1.0
  O  O9  1  0.763  0.763  0.554  1.0
  O  O10  1  0.237  0.238  0.054  1.0
  O  O11  1  0.702  0.220  0.250  1.0
[/CIF]
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The material described by MnPO4 crystallizes in the orthorhombic C222_1 space group. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) 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 two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) 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   4.729
_cell_length_b   4.729
_cell_length_c   6.571
_cell_angle_alpha   89.998
_cell_angle_beta   90.001
_cell_angle_gamma   68.349
_symmetry_Int_Tables_number   1
_cell_volume   136.568
_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  0.001  1.000  0.000  1.0
  Mn  Mn1  1  1.000  0.001  0.500  1.0
  P  P2  1  0.655  0.655  0.750  1.0
  P  P3  1  0.345  0.345  0.250  1.0
  O  O4  1  0.780  0.298  0.750  1.0
  O  O5  1  0.237  0.238  0.446  1.0
  O  O6  1  0.763  0.763  0.946  1.0
  O  O7  1  0.298  0.780  0.750  1.0
  O  O8  1  0.220  0.702  0.250  1.0
  O  O9  1  0.763  0.763  0.554  1.0
  O  O10  1  0.237  0.238  0.054  1.0
  O  O11  1  0.702  0.220  0.250  1.0
[/CIF]
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