The material structure described by LiMnP2O7 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(14), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(11), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-74°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(14), one O(4), one O(7), one O(8), and one O(9) atom to form distorted 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, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(13), one O(3), 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,  a cornercorner with one Li(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), 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 38-45°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-53°. In the fourth P site, P(4) is bonded to one O(1), one O(12), one O(13), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Mn(2) and one P(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one P(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(2), one Mn(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. is represented by the CIF file [CIF]
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.167
_cell_length_b   8.412
_cell_length_c   13.864
_cell_angle_alpha   63.144
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   537.636
_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  0.004  0.940  0.189  1.0
  Li  Li1  1  0.996  0.940  0.689  1.0
  Li  Li2  1  0.461  0.503  0.582  1.0
  Li  Li3  1  0.539  0.503  0.082  1.0
  Mn  Mn4  1  0.519  0.234  0.515  1.0
  Mn  Mn5  1  0.481  0.234  0.015  1.0
  Mn  Mn6  1  0.000  0.768  0.974  1.0
  Mn  Mn7  1  1.000  0.768  0.474  1.0
  P  P8  1  0.484  0.809  0.619  1.0
  P  P9  1  0.035  0.190  0.384  1.0
  P  P10  1  0.023  0.328  0.141  1.0
  P  P11  1  0.516  0.809  0.119  1.0
  P  P12  1  0.965  0.190  0.884  1.0
  P  P13  1  0.509  0.675  0.356  1.0
  P  P14  1  0.491  0.675  0.856  1.0
  P  P15  1  0.977  0.328  0.641  1.0
  O  O16  1  0.692  0.800  0.865  1.0
  O  O17  1  0.920  0.518  0.068  1.0
  O  O18  1  0.369  0.724  0.058  1.0
  O  O19  1  0.080  0.518  0.568  1.0
  O  O20  1  0.444  0.484  0.442  1.0
  O  O21  1  0.010  0.327  0.257  1.0
  O  O22  1  0.066  0.012  0.891  1.0
  O  O23  1  0.321  0.180  0.415  1.0
  O  O24  1  0.865  0.270  0.438  1.0
  O  O25  1  0.393  0.983  0.110  1.0
  O  O26  1  0.308  0.800  0.365  1.0
  O  O27  1  0.808  0.825  0.096  1.0
  O  O28  1  0.192  0.825  0.596  1.0
  O  O29  1  0.311  0.303  0.123  1.0
  O  O30  1  0.209  0.729  0.856  1.0
  O  O31  1  0.934  0.012  0.391  1.0
  O  O32  1  0.689  0.303  0.623  1.0
  O  O33  1  0.791  0.729  0.356  1.0
  O  O34  1  0.607  0.983  0.610  1.0
  O  O35  1  0.469  0.666  0.243  1.0
  O  O36  1  0.990  0.327  0.757  1.0
  O  O37  1  0.556  0.484  0.942  1.0
  O  O38  1  0.631  0.724  0.558  1.0
  O  O39  1  0.135  0.270  0.938  1.0
  O  O40  1  0.152  0.187  0.637  1.0
  O  O41  1  0.531  0.666  0.743  1.0
  O  O42  1  0.679  0.180  0.915  1.0
  O  O43  1  0.848  0.187  0.137  1.0
[/CIF]
.
The material structure described by LiMnP2O7 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(14), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(11), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-74°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(14), one O(4), one O(7), one O(8), and one O(9) atom to form distorted 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, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(13), one O(3), 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,  a cornercorner with one Li(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), 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 38-45°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-53°. In the fourth P site, P(4) is bonded to one O(1), one O(12), one O(13), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Mn(2) and one P(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one P(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(2), one Mn(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. is represented by the CIF file [CIF]
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.167
_cell_length_b   8.412
_cell_length_c   13.864
_cell_angle_alpha   63.144
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   537.636
_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  0.004  0.940  0.189  1.0
  Li  Li1  1  0.996  0.940  0.689  1.0
  Li  Li2  1  0.461  0.503  0.582  1.0
  Li  Li3  1  0.539  0.503  0.082  1.0
  Mn  Mn4  1  0.519  0.234  0.515  1.0
  Mn  Mn5  1  0.481  0.234  0.015  1.0
  Mn  Mn6  1  0.000  0.768  0.974  1.0
  Mn  Mn7  1  1.000  0.768  0.474  1.0
  P  P8  1  0.484  0.809  0.619  1.0
  P  P9  1  0.035  0.190  0.384  1.0
  P  P10  1  0.023  0.328  0.141  1.0
  P  P11  1  0.516  0.809  0.119  1.0
  P  P12  1  0.965  0.190  0.884  1.0
  P  P13  1  0.509  0.675  0.356  1.0
  P  P14  1  0.491  0.675  0.856  1.0
  P  P15  1  0.977  0.328  0.641  1.0
  O  O16  1  0.692  0.800  0.865  1.0
  O  O17  1  0.920  0.518  0.068  1.0
  O  O18  1  0.369  0.724  0.058  1.0
  O  O19  1  0.080  0.518  0.568  1.0
  O  O20  1  0.444  0.484  0.442  1.0
  O  O21  1  0.010  0.327  0.257  1.0
  O  O22  1  0.066  0.012  0.891  1.0
  O  O23  1  0.321  0.180  0.415  1.0
  O  O24  1  0.865  0.270  0.438  1.0
  O  O25  1  0.393  0.983  0.110  1.0
  O  O26  1  0.308  0.800  0.365  1.0
  O  O27  1  0.808  0.825  0.096  1.0
  O  O28  1  0.192  0.825  0.596  1.0
  O  O29  1  0.311  0.303  0.123  1.0
  O  O30  1  0.209  0.729  0.856  1.0
  O  O31  1  0.934  0.012  0.391  1.0
  O  O32  1  0.689  0.303  0.623  1.0
  O  O33  1  0.791  0.729  0.356  1.0
  O  O34  1  0.607  0.983  0.610  1.0
  O  O35  1  0.469  0.666  0.243  1.0
  O  O36  1  0.990  0.327  0.757  1.0
  O  O37  1  0.556  0.484  0.942  1.0
  O  O38  1  0.631  0.724  0.558  1.0
  O  O39  1  0.135  0.270  0.938  1.0
  O  O40  1  0.152  0.187  0.637  1.0
  O  O41  1  0.531  0.666  0.743  1.0
  O  O42  1  0.679  0.180  0.915  1.0
  O  O43  1  0.848  0.187  0.137  1.0
[/CIF]
.