The material described by Mn2PO5 crystallizes in the tetragonal I4_1/amd 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 four equivalent Mn(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with eight equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.321
_cell_length_b   7.321
_cell_length_c   7.321
_cell_angle_alpha   135.257
_cell_angle_beta   135.257
_cell_angle_gamma   65.132
_symmetry_Int_Tables_number   1
_cell_volume   191.639
_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  0.375  0.625  0.250  1.0
  Mn  Mn1  1  0.375  0.625  0.750  1.0
  Mn  Mn2  1  0.875  0.625  0.250  1.0
  Mn  Mn3  1  0.375  0.125  0.750  1.0
  P  P4  1  0.000  0.000  0.000  1.0
  P  P5  1  0.750  0.250  0.500  1.0
  O  O6  1  0.682  0.415  0.734  1.0
  O  O7  1  0.165  0.932  0.234  1.0
  O  O8  1  0.250  0.750  0.500  1.0
  O  O9  1  0.698  0.932  0.766  1.0
  O  O10  1  0.068  0.302  0.234  1.0
  O  O11  1  0.682  0.948  0.266  1.0
  O  O12  1  0.585  0.318  0.266  1.0
  O  O13  1  0.052  0.318  0.734  1.0
  O  O14  1  0.500  0.500  0.000  1.0
  O  O15  1  0.068  0.835  0.766  1.0
[/CIF]
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The material described by Mn2PO5 crystallizes in the tetragonal I4_1/amd 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 four equivalent Mn(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with eight equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.321
_cell_length_b   7.321
_cell_length_c   7.321
_cell_angle_alpha   135.257
_cell_angle_beta   135.257
_cell_angle_gamma   65.132
_symmetry_Int_Tables_number   1
_cell_volume   191.639
_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  0.375  0.625  0.250  1.0
  Mn  Mn1  1  0.375  0.625  0.750  1.0
  Mn  Mn2  1  0.875  0.625  0.250  1.0
  Mn  Mn3  1  0.375  0.125  0.750  1.0
  P  P4  1  0.000  0.000  0.000  1.0
  P  P5  1  0.750  0.250  0.500  1.0
  O  O6  1  0.682  0.415  0.734  1.0
  O  O7  1  0.165  0.932  0.234  1.0
  O  O8  1  0.250  0.750  0.500  1.0
  O  O9  1  0.698  0.932  0.766  1.0
  O  O10  1  0.068  0.302  0.234  1.0
  O  O11  1  0.682  0.948  0.266  1.0
  O  O12  1  0.585  0.318  0.266  1.0
  O  O13  1  0.052  0.318  0.734  1.0
  O  O14  1  0.500  0.500  0.000  1.0
  O  O15  1  0.068  0.835  0.766  1.0
[/CIF]
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