The compound described by Li2MnP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form distorted LiO4 trigonal pyramids that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-74°. In the second Li site, Li(2) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-78°. Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with four equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 33-63°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 52-59°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   7.101
_cell_length_c   8.382
_cell_angle_alpha   66.866
_cell_angle_beta   88.440
_cell_angle_gamma   89.706
_symmetry_Int_Tables_number   1
_cell_volume   279.426
_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  0.237  0.813  0.569  1.0
  Li  Li1  1  0.763  0.187  0.431  1.0
  Li  Li2  1  0.294  0.844  0.995  1.0
  Li  Li3  1  0.706  0.156  0.005  1.0
  Mn  Mn4  1  0.768  0.755  0.283  1.0
  Mn  Mn5  1  0.232  0.245  0.717  1.0
  O  O6  1  0.852  0.343  0.787  1.0
  O  O7  1  0.148  0.657  0.213  1.0
  O  O8  1  0.723  0.648  0.847  1.0
  O  O9  1  0.277  0.352  0.153  1.0
  O  O10  1  0.431  0.535  0.664  1.0
  O  O11  1  0.569  0.465  0.336  1.0
  O  O12  1  0.077  0.921  0.782  1.0
  O  O13  1  0.923  0.079  0.218  1.0
  O  O14  1  0.611  0.027  0.675  1.0
  O  O15  1  0.389  0.973  0.325  1.0
  O  O16  1  0.696  0.878  1.000  1.0
  O  O17  1  0.304  0.122  0.000  1.0
  O  O18  1  0.877  0.701  0.542  1.0
  O  O19  1  0.123  0.299  0.458  1.0
  P  P20  1  0.780  0.883  0.820  1.0
  P  P21  1  0.220  0.117  0.180  1.0
  P  P22  1  0.279  0.448  0.300  1.0
  P  P23  1  0.721  0.552  0.700  1.0
[/CIF]
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The compound described by Li2MnP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form distorted LiO4 trigonal pyramids that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-74°. In the second Li site, Li(2) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-78°. Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with four equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 33-63°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 52-59°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   7.101
_cell_length_c   8.382
_cell_angle_alpha   66.866
_cell_angle_beta   88.440
_cell_angle_gamma   89.706
_symmetry_Int_Tables_number   1
_cell_volume   279.426
_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  0.237  0.813  0.569  1.0
  Li  Li1  1  0.763  0.187  0.431  1.0
  Li  Li2  1  0.294  0.844  0.995  1.0
  Li  Li3  1  0.706  0.156  0.005  1.0
  Mn  Mn4  1  0.768  0.755  0.283  1.0
  Mn  Mn5  1  0.232  0.245  0.717  1.0
  O  O6  1  0.852  0.343  0.787  1.0
  O  O7  1  0.148  0.657  0.213  1.0
  O  O8  1  0.723  0.648  0.847  1.0
  O  O9  1  0.277  0.352  0.153  1.0
  O  O10  1  0.431  0.535  0.664  1.0
  O  O11  1  0.569  0.465  0.336  1.0
  O  O12  1  0.077  0.921  0.782  1.0
  O  O13  1  0.923  0.079  0.218  1.0
  O  O14  1  0.611  0.027  0.675  1.0
  O  O15  1  0.389  0.973  0.325  1.0
  O  O16  1  0.696  0.878  1.000  1.0
  O  O17  1  0.304  0.122  0.000  1.0
  O  O18  1  0.877  0.701  0.542  1.0
  O  O19  1  0.123  0.299  0.458  1.0
  P  P20  1  0.780  0.883  0.820  1.0
  P  P21  1  0.220  0.117  0.180  1.0
  P  P22  1  0.279  0.448  0.300  1.0
  P  P23  1  0.721  0.552  0.700  1.0
[/CIF]
.