The structure described by Li2MnP2O7 crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(5), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(6), and one O(7) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(13), one O(15), one O(6), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(14), one O(16), one O(5), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  a cornercorner with one Li(2)O4 trigonal pyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to two equivalent O(10) and two equivalent O(11) atoms. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to two equivalent O(14) and two equivalent O(16) atoms. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to two equivalent O(12) and two equivalent O(9) atoms. In the fourth Mn site, Mn(4) is bonded in a square co-planar geometry to two equivalent O(13) and two equivalent O(15) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(13), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(14), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. In the third P site, P(3) is bonded to one O(12), one O(15), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. In the fourth P site, P(4) is bonded to one O(11), one O(16), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent P(3) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent P(4) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(3), and one P(4) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), 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(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(4), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(2), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.661
_cell_length_b   7.355
_cell_length_c   8.194
_cell_angle_alpha   116.662
_cell_angle_beta   113.975
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   319.480
_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
  Li  Li0  1  0.764  0.765  0.530  1.0
  Li  Li1  1  0.234  0.734  0.470  1.0
  Li  Li2  1  0.764  0.264  0.530  1.0
  Li  Li3  1  0.234  0.235  0.470  1.0
  Mn  Mn4  1  0.001  0.998  1.000  1.0
  Mn  Mn5  1  0.004  0.505  0.000  1.0
  O  O6  1  0.565  0.750  1.000  1.0
  O  O7  1  0.434  0.250  1.000  1.0
  O  O8  1  0.683  0.442  0.385  1.0
  O  O9  1  0.702  0.942  0.385  1.0
  O  O10  1  0.297  0.057  0.615  1.0
  O  O11  1  0.317  0.557  0.615  1.0
  O  O12  1  0.690  0.807  0.767  1.0
  O  O13  1  0.076  0.960  0.766  1.0
  O  O14  1  0.924  0.694  0.233  1.0
  O  O15  1  0.310  0.540  0.234  1.0
  O  O16  1  0.691  0.461  0.767  1.0
  O  O17  1  0.077  0.306  0.766  1.0
  O  O18  1  0.310  0.194  0.234  1.0
  O  O19  1  0.923  0.040  0.233  1.0
  P  P20  1  0.786  0.862  0.225  1.0
  P  P21  1  0.439  0.362  0.225  1.0
  P  P22  1  0.561  0.638  0.775  1.0
  P  P23  1  0.214  0.137  0.775  1.0
[/CIF]
.
The structure described by Li2MnP2O7 crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(5), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(6), and one O(7) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(13), one O(15), one O(6), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(14), one O(16), one O(5), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  a cornercorner with one Li(2)O4 trigonal pyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to two equivalent O(10) and two equivalent O(11) atoms. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to two equivalent O(14) and two equivalent O(16) atoms. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to two equivalent O(12) and two equivalent O(9) atoms. In the fourth Mn site, Mn(4) is bonded in a square co-planar geometry to two equivalent O(13) and two equivalent O(15) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(13), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(14), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. In the third P site, P(3) is bonded to one O(12), one O(15), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. In the fourth P site, P(4) is bonded to one O(11), one O(16), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent P(3) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent P(4) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(3), and one P(4) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), 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(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(4), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(2), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.661
_cell_length_b   7.355
_cell_length_c   8.194
_cell_angle_alpha   116.662
_cell_angle_beta   113.975
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   319.480
_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
  Li  Li0  1  0.764  0.765  0.530  1.0
  Li  Li1  1  0.234  0.734  0.470  1.0
  Li  Li2  1  0.764  0.264  0.530  1.0
  Li  Li3  1  0.234  0.235  0.470  1.0
  Mn  Mn4  1  0.001  0.998  1.000  1.0
  Mn  Mn5  1  0.004  0.505  0.000  1.0
  O  O6  1  0.565  0.750  1.000  1.0
  O  O7  1  0.434  0.250  1.000  1.0
  O  O8  1  0.683  0.442  0.385  1.0
  O  O9  1  0.702  0.942  0.385  1.0
  O  O10  1  0.297  0.057  0.615  1.0
  O  O11  1  0.317  0.557  0.615  1.0
  O  O12  1  0.690  0.807  0.767  1.0
  O  O13  1  0.076  0.960  0.766  1.0
  O  O14  1  0.924  0.694  0.233  1.0
  O  O15  1  0.310  0.540  0.234  1.0
  O  O16  1  0.691  0.461  0.767  1.0
  O  O17  1  0.077  0.306  0.766  1.0
  O  O18  1  0.310  0.194  0.234  1.0
  O  O19  1  0.923  0.040  0.233  1.0
  P  P20  1  0.786  0.862  0.225  1.0
  P  P21  1  0.439  0.362  0.225  1.0
  P  P22  1  0.561  0.638  0.775  1.0
  P  P23  1  0.214  0.137  0.775  1.0
[/CIF]
.