The material described by LiMn2(P2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(14), one O(3), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(2), one O(4), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(14), one O(2), one O(3), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Mn(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-58°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(3), and one O(7) atom to form PO4 tetrahedra that share 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 23-52°. In the third P site, P(3) is bonded to one O(12), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Mn(1)O5 trigonal bipyramids. In the fourth P site, P(4) is bonded to one O(13), 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(2)O4 tetrahedra, and  a cornercorner with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Mn(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Mn(2) 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(2), and one P(4) atom. is represented by the CIF file [CIF]
data_LiMn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.213
_cell_length_b   6.285
_cell_length_c   9.755
_cell_angle_alpha   110.447
_cell_angle_beta   102.052
_cell_angle_gamma   104.021
_symmetry_Int_Tables_number   1
_cell_volume   275.046
_cell_formula_units_Z   1
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  0.355  0.242  0.808  1.0
  Mn  Mn1  1  0.104  0.586  0.347  1.0
  Mn  Mn2  1  0.906  0.400  0.636  1.0
  P  P3  1  0.257  0.133  0.373  1.0
  P  P4  1  0.588  0.706  0.853  1.0
  P  P5  1  0.416  0.290  0.144  1.0
  P  P6  1  0.747  0.846  0.609  1.0
  O  O7  1  0.069  0.887  0.349  1.0
  O  O8  1  0.096  0.314  0.409  1.0
  O  O9  1  0.275  0.546  0.783  1.0
  O  O10  1  0.220  0.437  0.157  1.0
  O  O11  1  0.370  0.144  0.974  1.0
  O  O12  1  0.493  0.756  0.470  1.0
  O  O13  1  0.642  0.866  0.754  1.0
  O  O14  1  0.321  0.098  0.217  1.0
  O  O15  1  0.529  0.228  0.506  1.0
  O  O16  1  0.672  0.882  0.019  1.0
  O  O17  1  0.748  0.528  0.825  1.0
  O  O18  1  0.716  0.446  0.242  1.0
  O  O19  1  0.932  0.685  0.592  1.0
  O  O20  1  0.945  0.104  0.654  1.0
[/CIF]
.
The material described by LiMn2(P2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(14), one O(3), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(2), one O(4), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(14), one O(2), one O(3), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Mn(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-58°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(3), and one O(7) atom to form PO4 tetrahedra that share 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 23-52°. In the third P site, P(3) is bonded to one O(12), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Mn(1)O5 trigonal bipyramids. In the fourth P site, P(4) is bonded to one O(13), 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(2)O4 tetrahedra, and  a cornercorner with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Mn(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Mn(2) 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(2), and one P(4) atom. is represented by the CIF file [CIF]
data_LiMn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.213
_cell_length_b   6.285
_cell_length_c   9.755
_cell_angle_alpha   110.447
_cell_angle_beta   102.052
_cell_angle_gamma   104.021
_symmetry_Int_Tables_number   1
_cell_volume   275.046
_cell_formula_units_Z   1
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  0.355  0.242  0.808  1.0
  Mn  Mn1  1  0.104  0.586  0.347  1.0
  Mn  Mn2  1  0.906  0.400  0.636  1.0
  P  P3  1  0.257  0.133  0.373  1.0
  P  P4  1  0.588  0.706  0.853  1.0
  P  P5  1  0.416  0.290  0.144  1.0
  P  P6  1  0.747  0.846  0.609  1.0
  O  O7  1  0.069  0.887  0.349  1.0
  O  O8  1  0.096  0.314  0.409  1.0
  O  O9  1  0.275  0.546  0.783  1.0
  O  O10  1  0.220  0.437  0.157  1.0
  O  O11  1  0.370  0.144  0.974  1.0
  O  O12  1  0.493  0.756  0.470  1.0
  O  O13  1  0.642  0.866  0.754  1.0
  O  O14  1  0.321  0.098  0.217  1.0
  O  O15  1  0.529  0.228  0.506  1.0
  O  O16  1  0.672  0.882  0.019  1.0
  O  O17  1  0.748  0.528  0.825  1.0
  O  O18  1  0.716  0.446  0.242  1.0
  O  O19  1  0.932  0.685  0.592  1.0
  O  O20  1  0.945  0.104  0.654  1.0
[/CIF]
.