The structure described by MnP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, 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 two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-49°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. is represented by the CIF card [CIF]
data_MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.678
_cell_length_b   6.733
_cell_length_c   7.755
_cell_angle_alpha   91.348
_cell_angle_beta   92.947
_cell_angle_gamma   105.465
_symmetry_Int_Tables_number   1
_cell_volume   234.940
_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  0.000  0.000  1.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.353  0.167  0.918  1.0
  O  O3  1  0.647  0.833  0.082  1.0
  O  O4  1  0.046  0.767  0.877  1.0
  O  O5  1  0.954  0.233  0.123  1.0
  O  O6  1  0.793  0.063  0.805  1.0
  O  O7  1  0.207  0.937  0.195  1.0
  O  O8  1  0.298  0.594  0.676  1.0
  O  O9  1  0.702  0.406  0.324  1.0
  O  O10  1  0.622  0.330  0.659  1.0
  O  O11  1  0.378  0.670  0.341  1.0
  O  O12  1  0.306  0.967  0.636  1.0
  O  O13  1  0.694  0.033  0.364  1.0
  O  O14  1  0.846  0.708  0.561  1.0
  O  O15  1  0.154  0.292  0.439  1.0
  P  P16  1  0.522  0.139  0.762  1.0
  P  P17  1  0.478  0.861  0.238  1.0
  P  P18  1  0.112  0.747  0.688  1.0
  P  P19  1  0.888  0.253  0.312  1.0
[/CIF]
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The structure described by MnP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, 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 two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-49°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. is represented by the CIF card [CIF]
data_MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.678
_cell_length_b   6.733
_cell_length_c   7.755
_cell_angle_alpha   91.348
_cell_angle_beta   92.947
_cell_angle_gamma   105.465
_symmetry_Int_Tables_number   1
_cell_volume   234.940
_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  0.000  0.000  1.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.353  0.167  0.918  1.0
  O  O3  1  0.647  0.833  0.082  1.0
  O  O4  1  0.046  0.767  0.877  1.0
  O  O5  1  0.954  0.233  0.123  1.0
  O  O6  1  0.793  0.063  0.805  1.0
  O  O7  1  0.207  0.937  0.195  1.0
  O  O8  1  0.298  0.594  0.676  1.0
  O  O9  1  0.702  0.406  0.324  1.0
  O  O10  1  0.622  0.330  0.659  1.0
  O  O11  1  0.378  0.670  0.341  1.0
  O  O12  1  0.306  0.967  0.636  1.0
  O  O13  1  0.694  0.033  0.364  1.0
  O  O14  1  0.846  0.708  0.561  1.0
  O  O15  1  0.154  0.292  0.439  1.0
  P  P16  1  0.522  0.139  0.762  1.0
  P  P17  1  0.478  0.861  0.238  1.0
  P  P18  1  0.112  0.747  0.688  1.0
  P  P19  1  0.888  0.253  0.312  1.0
[/CIF]
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