The crystal structure described by MnP2O7 crystallizes in the triclinic P-1 space group. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-47°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 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(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one P(2) atom. is represented by the CIF file [CIF]
data_MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.420
_cell_length_b   6.864
_cell_length_c   6.217
_cell_angle_alpha   66.804
_cell_angle_beta   83.762
_cell_angle_gamma   87.796
_symmetry_Int_Tables_number   1
_cell_volume   250.352
_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  0.856  0.714  0.905  1.0
  Mn  Mn1  1  0.144  0.286  0.095  1.0
  P  P2  1  0.888  0.854  0.340  1.0
  P  P3  1  0.112  0.146  0.660  1.0
  P  P4  1  0.629  0.261  0.226  1.0
  P  P5  1  0.371  0.740  0.774  1.0
  O  O6  1  0.911  0.014  0.772  1.0
  O  O7  1  0.089  0.986  0.228  1.0
  O  O8  1  0.157  0.290  0.783  1.0
  O  O9  1  0.843  0.710  0.217  1.0
  O  O10  1  0.102  0.291  0.401  1.0
  O  O11  1  0.898  0.709  0.599  1.0
  O  O12  1  0.453  0.269  0.073  1.0
  O  O13  1  0.547  0.731  0.927  1.0
  O  O14  1  0.700  0.016  0.325  1.0
  O  O15  1  0.300  0.984  0.675  1.0
  O  O16  1  0.827  0.382  0.058  1.0
  O  O17  1  0.432  0.670  0.577  1.0
  O  O18  1  0.568  0.330  0.423  1.0
  O  O19  1  0.173  0.618  0.943  1.0
[/CIF]
.
The crystal structure described by MnP2O7 crystallizes in the triclinic P-1 space group. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-47°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 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(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one P(2) atom. is represented by the CIF file [CIF]
data_MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.420
_cell_length_b   6.864
_cell_length_c   6.217
_cell_angle_alpha   66.804
_cell_angle_beta   83.762
_cell_angle_gamma   87.796
_symmetry_Int_Tables_number   1
_cell_volume   250.352
_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  0.856  0.714  0.905  1.0
  Mn  Mn1  1  0.144  0.286  0.095  1.0
  P  P2  1  0.888  0.854  0.340  1.0
  P  P3  1  0.112  0.146  0.660  1.0
  P  P4  1  0.629  0.261  0.226  1.0
  P  P5  1  0.371  0.740  0.774  1.0
  O  O6  1  0.911  0.014  0.772  1.0
  O  O7  1  0.089  0.986  0.228  1.0
  O  O8  1  0.157  0.290  0.783  1.0
  O  O9  1  0.843  0.710  0.217  1.0
  O  O10  1  0.102  0.291  0.401  1.0
  O  O11  1  0.898  0.709  0.599  1.0
  O  O12  1  0.453  0.269  0.073  1.0
  O  O13  1  0.547  0.731  0.927  1.0
  O  O14  1  0.700  0.016  0.325  1.0
  O  O15  1  0.300  0.984  0.675  1.0
  O  O16  1  0.827  0.382  0.058  1.0
  O  O17  1  0.432  0.670  0.577  1.0
  O  O18  1  0.568  0.330  0.423  1.0
  O  O19  1  0.173  0.618  0.943  1.0
[/CIF]
.