The crystal 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 one O(10), one O(11), one O(3), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the second Mn site, Mn(2) is bonded to one O(11), one O(12), one O(13), one O(14), one O(4), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(6), and one O(9) 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), and one O(8) 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(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-44°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(13), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-42°. In the fourth P site, P(4) is bonded to one O(11), one O(14), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the third O site, O(3) is bonded in a distorted 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(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Mn(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(4) atom. is represented by the CIF card [CIF]
data_MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.266
_cell_length_b   9.664
_cell_length_c   10.631
_cell_angle_alpha   65.093
_cell_angle_beta   80.228
_cell_angle_gamma   73.646
_symmetry_Int_Tables_number   1
_cell_volume   559.307
_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  0.286  0.885  0.228  1.0
  Mn  Mn1  1  0.378  0.248  0.251  1.0
  Mn  Mn2  1  0.622  0.752  0.749  1.0
  Mn  Mn3  1  0.714  0.115  0.772  1.0
  P  P4  1  0.101  0.859  0.703  1.0
  P  P5  1  0.303  0.216  0.971  1.0
  P  P6  1  0.083  0.618  0.206  1.0
  P  P7  1  0.411  0.842  0.466  1.0
  P  P8  1  0.589  0.158  0.534  1.0
  P  P9  1  0.917  0.382  0.794  1.0
  P  P10  1  0.697  0.784  0.029  1.0
  P  P11  1  0.899  0.141  0.297  1.0
  O  O12  1  0.037  0.459  0.657  1.0
  O  O13  1  0.071  0.342  0.924  1.0
  O  O14  1  0.000  0.016  0.719  1.0
  O  O15  1  0.062  0.245  0.278  1.0
  O  O16  1  0.258  0.051  0.046  1.0
  O  O17  1  0.195  0.914  0.542  1.0
  O  O18  1  0.350  0.728  0.419  1.0
  O  O19  1  0.438  0.232  0.832  1.0
  O  O20  1  0.306  0.761  0.787  1.0
  O  O21  1  0.126  0.778  0.176  1.0
  O  O22  1  0.433  0.979  0.319  1.0
  O  O23  1  0.400  0.268  0.060  1.0
  O  O24  1  0.287  0.495  0.192  1.0
  O  O25  1  0.393  0.216  0.449  1.0
  O  O26  1  0.607  0.784  0.551  1.0
  O  O27  1  0.713  0.505  0.808  1.0
  O  O28  1  0.600  0.732  0.940  1.0
  O  O29  1  0.567  0.021  0.681  1.0
  O  O30  1  0.874  0.222  0.824  1.0
  O  O31  1  0.694  0.239  0.213  1.0
  O  O32  1  0.562  0.768  0.168  1.0
  O  O33  1  0.650  0.272  0.581  1.0
  O  O34  1  0.805  0.086  0.458  1.0
  O  O35  1  0.742  0.949  0.954  1.0
  O  O36  1  0.938  0.755  0.722  1.0
  O  O37  1  1.000  0.984  0.281  1.0
  O  O38  1  0.929  0.658  0.076  1.0
  O  O39  1  0.963  0.541  0.343  1.0
[/CIF]
.
The crystal 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 one O(10), one O(11), one O(3), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the second Mn site, Mn(2) is bonded to one O(11), one O(12), one O(13), one O(14), one O(4), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(6), and one O(9) 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), and one O(8) 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(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-44°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(13), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-42°. In the fourth P site, P(4) is bonded to one O(11), one O(14), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the third O site, O(3) is bonded in a distorted 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(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Mn(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(4) atom. is represented by the CIF card [CIF]
data_MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.266
_cell_length_b   9.664
_cell_length_c   10.631
_cell_angle_alpha   65.093
_cell_angle_beta   80.228
_cell_angle_gamma   73.646
_symmetry_Int_Tables_number   1
_cell_volume   559.307
_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  0.286  0.885  0.228  1.0
  Mn  Mn1  1  0.378  0.248  0.251  1.0
  Mn  Mn2  1  0.622  0.752  0.749  1.0
  Mn  Mn3  1  0.714  0.115  0.772  1.0
  P  P4  1  0.101  0.859  0.703  1.0
  P  P5  1  0.303  0.216  0.971  1.0
  P  P6  1  0.083  0.618  0.206  1.0
  P  P7  1  0.411  0.842  0.466  1.0
  P  P8  1  0.589  0.158  0.534  1.0
  P  P9  1  0.917  0.382  0.794  1.0
  P  P10  1  0.697  0.784  0.029  1.0
  P  P11  1  0.899  0.141  0.297  1.0
  O  O12  1  0.037  0.459  0.657  1.0
  O  O13  1  0.071  0.342  0.924  1.0
  O  O14  1  0.000  0.016  0.719  1.0
  O  O15  1  0.062  0.245  0.278  1.0
  O  O16  1  0.258  0.051  0.046  1.0
  O  O17  1  0.195  0.914  0.542  1.0
  O  O18  1  0.350  0.728  0.419  1.0
  O  O19  1  0.438  0.232  0.832  1.0
  O  O20  1  0.306  0.761  0.787  1.0
  O  O21  1  0.126  0.778  0.176  1.0
  O  O22  1  0.433  0.979  0.319  1.0
  O  O23  1  0.400  0.268  0.060  1.0
  O  O24  1  0.287  0.495  0.192  1.0
  O  O25  1  0.393  0.216  0.449  1.0
  O  O26  1  0.607  0.784  0.551  1.0
  O  O27  1  0.713  0.505  0.808  1.0
  O  O28  1  0.600  0.732  0.940  1.0
  O  O29  1  0.567  0.021  0.681  1.0
  O  O30  1  0.874  0.222  0.824  1.0
  O  O31  1  0.694  0.239  0.213  1.0
  O  O32  1  0.562  0.768  0.168  1.0
  O  O33  1  0.650  0.272  0.581  1.0
  O  O34  1  0.805  0.086  0.458  1.0
  O  O35  1  0.742  0.949  0.954  1.0
  O  O36  1  0.938  0.755  0.722  1.0
  O  O37  1  1.000  0.984  0.281  1.0
  O  O38  1  0.929  0.658  0.076  1.0
  O  O39  1  0.963  0.541  0.343  1.0
[/CIF]
.