The material described by LiMnP2O7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 68°. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-50°. In the third P site, P(3) is bonded to one O(10), one O(7), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the fourth P site, P(4) is bonded to one O(10), one O(9), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. There are ten inequivalent O sites. In the first O site, O(9) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(4) atom. In the second O site, O(10) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(2) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(1) atom. In the ninth O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(3) atom. In the tenth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.465
_cell_length_b   6.632
_cell_length_c   9.109
_cell_angle_alpha   77.742
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   499.721
_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
  Li  Li0  1  0.082  0.776  0.758  1.0
  Li  Li1  1  0.418  0.776  0.758  1.0
  Li  Li2  1  0.582  0.224  0.242  1.0
  Li  Li3  1  0.918  0.224  0.242  1.0
  Mn  Mn4  1  0.566  0.252  0.751  1.0
  Mn  Mn5  1  0.934  0.252  0.751  1.0
  Mn  Mn6  1  0.066  0.748  0.249  1.0
  Mn  Mn7  1  0.434  0.748  0.249  1.0
  P  P8  1  0.250  0.499  0.053  1.0
  P  P9  1  0.750  0.935  0.029  1.0
  P  P10  1  0.750  0.582  0.467  1.0
  P  P11  1  0.250  0.995  0.447  1.0
  P  P12  1  0.750  0.501  0.947  1.0
  P  P13  1  0.250  0.065  0.971  1.0
  P  P14  1  0.750  0.005  0.553  1.0
  P  P15  1  0.250  0.418  0.533  1.0
  O  O16  1  0.100  0.410  0.626  1.0
  O  O17  1  0.096  0.519  0.144  1.0
  O  O18  1  0.250  0.256  0.054  1.0
  O  O19  1  0.250  0.879  0.114  1.0
  O  O20  1  0.596  0.481  0.856  1.0
  O  O21  1  0.904  0.481  0.856  1.0
  O  O22  1  0.750  0.744  0.946  1.0
  O  O23  1  0.750  0.121  0.886  1.0
  O  O24  1  0.100  0.059  0.882  1.0
  O  O25  1  0.400  0.059  0.882  1.0
  O  O26  1  0.250  0.624  0.895  1.0
  O  O27  1  0.404  0.519  0.144  1.0
  O  O28  1  0.400  0.410  0.626  1.0
  O  O29  1  0.750  0.391  0.597  1.0
  O  O30  1  0.596  0.026  0.644  1.0
  O  O31  1  0.904  0.026  0.644  1.0
  O  O32  1  0.250  0.878  0.607  1.0
  O  O33  1  0.750  0.762  0.560  1.0
  O  O34  1  0.900  0.941  0.118  1.0
  O  O35  1  0.750  0.122  0.393  1.0
  O  O36  1  0.096  0.974  0.356  1.0
  O  O37  1  0.404  0.974  0.356  1.0
  O  O38  1  0.250  0.609  0.403  1.0
  O  O39  1  0.600  0.590  0.374  1.0
  O  O40  1  0.900  0.590  0.374  1.0
  O  O41  1  0.750  0.376  0.105  1.0
  O  O42  1  0.600  0.941  0.118  1.0
  O  O43  1  0.250  0.238  0.440  1.0
[/CIF]
.
The material described by LiMnP2O7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 68°. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-50°. In the third P site, P(3) is bonded to one O(10), one O(7), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the fourth P site, P(4) is bonded to one O(10), one O(9), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. There are ten inequivalent O sites. In the first O site, O(9) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(4) atom. In the second O site, O(10) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(2) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(1) atom. In the ninth O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(3) atom. In the tenth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.465
_cell_length_b   6.632
_cell_length_c   9.109
_cell_angle_alpha   77.742
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   499.721
_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
  Li  Li0  1  0.082  0.776  0.758  1.0
  Li  Li1  1  0.418  0.776  0.758  1.0
  Li  Li2  1  0.582  0.224  0.242  1.0
  Li  Li3  1  0.918  0.224  0.242  1.0
  Mn  Mn4  1  0.566  0.252  0.751  1.0
  Mn  Mn5  1  0.934  0.252  0.751  1.0
  Mn  Mn6  1  0.066  0.748  0.249  1.0
  Mn  Mn7  1  0.434  0.748  0.249  1.0
  P  P8  1  0.250  0.499  0.053  1.0
  P  P9  1  0.750  0.935  0.029  1.0
  P  P10  1  0.750  0.582  0.467  1.0
  P  P11  1  0.250  0.995  0.447  1.0
  P  P12  1  0.750  0.501  0.947  1.0
  P  P13  1  0.250  0.065  0.971  1.0
  P  P14  1  0.750  0.005  0.553  1.0
  P  P15  1  0.250  0.418  0.533  1.0
  O  O16  1  0.100  0.410  0.626  1.0
  O  O17  1  0.096  0.519  0.144  1.0
  O  O18  1  0.250  0.256  0.054  1.0
  O  O19  1  0.250  0.879  0.114  1.0
  O  O20  1  0.596  0.481  0.856  1.0
  O  O21  1  0.904  0.481  0.856  1.0
  O  O22  1  0.750  0.744  0.946  1.0
  O  O23  1  0.750  0.121  0.886  1.0
  O  O24  1  0.100  0.059  0.882  1.0
  O  O25  1  0.400  0.059  0.882  1.0
  O  O26  1  0.250  0.624  0.895  1.0
  O  O27  1  0.404  0.519  0.144  1.0
  O  O28  1  0.400  0.410  0.626  1.0
  O  O29  1  0.750  0.391  0.597  1.0
  O  O30  1  0.596  0.026  0.644  1.0
  O  O31  1  0.904  0.026  0.644  1.0
  O  O32  1  0.250  0.878  0.607  1.0
  O  O33  1  0.750  0.762  0.560  1.0
  O  O34  1  0.900  0.941  0.118  1.0
  O  O35  1  0.750  0.122  0.393  1.0
  O  O36  1  0.096  0.974  0.356  1.0
  O  O37  1  0.404  0.974  0.356  1.0
  O  O38  1  0.250  0.609  0.403  1.0
  O  O39  1  0.600  0.590  0.374  1.0
  O  O40  1  0.900  0.590  0.374  1.0
  O  O41  1  0.750  0.376  0.105  1.0
  O  O42  1  0.600  0.941  0.118  1.0
  O  O43  1  0.250  0.238  0.440  1.0
[/CIF]
.