The structure described by LiMnP2O7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(4), one O(6), and one O(7) atom to form LiO4 trigonal pyramids that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 68-71°. In the second Li site, Li(2) is bonded to one O(12), one O(14), one O(2), one O(5), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), 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(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(13), one O(14), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(5), and one O(6) 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 P(3)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-54°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(13), and one O(9) 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the third P site, P(3) is bonded to one O(14), one O(3), one O(7), and one O(8) 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 P(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 29-53°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(2), and one O(4) 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,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 31-56°. 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(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Mn(1), and one P(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), 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   5.172
_cell_length_b   6.912
_cell_length_c   8.072
_cell_angle_alpha   112.499
_cell_angle_beta   90.686
_cell_angle_gamma   92.314
_symmetry_Int_Tables_number   1
_cell_volume   266.274
_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  0.704  0.162  0.991  1.0
  Li  Li1  1  0.239  0.836  0.429  1.0
  Mn  Mn2  1  0.779  0.766  0.730  1.0
  Mn  Mn3  1  0.244  0.216  0.272  1.0
  P  P4  1  0.717  0.539  0.302  1.0
  P  P5  1  0.285  0.463  0.696  1.0
  P  P6  1  0.760  0.887  0.176  1.0
  P  P7  1  0.231  0.111  0.825  1.0
  O  O8  1  0.127  0.651  0.776  1.0
  O  O9  1  0.398  0.964  0.683  1.0
  O  O10  1  0.724  0.645  0.156  1.0
  O  O11  1  0.938  0.055  0.790  1.0
  O  O12  1  0.852  0.702  0.473  1.0
  O  O13  1  0.863  0.340  0.216  1.0
  O  O14  1  0.706  0.875  0.985  1.0
  O  O15  1  0.565  0.018  0.304  1.0
  O  O16  1  0.575  0.511  0.680  1.0
  O  O17  1  0.322  0.140  0.017  1.0
  O  O18  1  0.273  0.348  0.837  1.0
  O  O19  1  0.426  0.500  0.327  1.0
  O  O20  1  0.172  0.294  0.520  1.0
  O  O21  1  0.048  0.945  0.236  1.0
[/CIF]
.
The structure described by LiMnP2O7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(4), one O(6), and one O(7) atom to form LiO4 trigonal pyramids that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 68-71°. In the second Li site, Li(2) is bonded to one O(12), one O(14), one O(2), one O(5), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), 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(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(13), one O(14), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(5), and one O(6) 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 P(3)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-54°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(13), and one O(9) 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the third P site, P(3) is bonded to one O(14), one O(3), one O(7), and one O(8) 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 P(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 29-53°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(2), and one O(4) 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,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 31-56°. 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(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Mn(1), and one P(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), 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   5.172
_cell_length_b   6.912
_cell_length_c   8.072
_cell_angle_alpha   112.499
_cell_angle_beta   90.686
_cell_angle_gamma   92.314
_symmetry_Int_Tables_number   1
_cell_volume   266.274
_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  0.704  0.162  0.991  1.0
  Li  Li1  1  0.239  0.836  0.429  1.0
  Mn  Mn2  1  0.779  0.766  0.730  1.0
  Mn  Mn3  1  0.244  0.216  0.272  1.0
  P  P4  1  0.717  0.539  0.302  1.0
  P  P5  1  0.285  0.463  0.696  1.0
  P  P6  1  0.760  0.887  0.176  1.0
  P  P7  1  0.231  0.111  0.825  1.0
  O  O8  1  0.127  0.651  0.776  1.0
  O  O9  1  0.398  0.964  0.683  1.0
  O  O10  1  0.724  0.645  0.156  1.0
  O  O11  1  0.938  0.055  0.790  1.0
  O  O12  1  0.852  0.702  0.473  1.0
  O  O13  1  0.863  0.340  0.216  1.0
  O  O14  1  0.706  0.875  0.985  1.0
  O  O15  1  0.565  0.018  0.304  1.0
  O  O16  1  0.575  0.511  0.680  1.0
  O  O17  1  0.322  0.140  0.017  1.0
  O  O18  1  0.273  0.348  0.837  1.0
  O  O19  1  0.426  0.500  0.327  1.0
  O  O20  1  0.172  0.294  0.520  1.0
  O  O21  1  0.048  0.945  0.236  1.0
[/CIF]
.