The material described by LiMn2(PO4)2 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(14), one O(16), one O(2), one O(3), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 pentagonal pyramid,  an edgeedge with one Mn(3)O6 pentagonal pyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-68°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(13), one O(15), one O(4), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 pentagonal pyramids, corners with two equivalent Mn(3)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(13), one O(16), one O(5), one O(8), and one O(9) atom to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Mn(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-69°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mn(3)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-68°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-70°. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-66°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 pentagonal pyramid,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Mn(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 41-59°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(3)O6 pentagonal pyramid, corners with two equivalent Mn(1)O6 pentagonal pyramids,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(13), and one O(15) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(1)O6 pentagonal pyramid, corners with two equivalent Mn(3)O6 pentagonal pyramids,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the fourth P site, P(4) is bonded to one O(12), one O(14), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Mn(1)O6 pentagonal pyramid,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Mn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 41-58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Mn(3), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(4), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(4), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(4), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. is represented by the CIF card [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.862
_cell_length_b   6.125
_cell_length_c   10.229
_cell_angle_alpha   90.409
_cell_angle_beta   88.576
_cell_angle_gamma   89.916
_symmetry_Int_Tables_number   1
_cell_volume   304.492
_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  0.754  0.255  0.798  1.0
  Li  Li1  1  0.251  0.748  0.296  1.0
  Mn  Mn2  1  0.801  0.493  0.086  1.0
  Mn  Mn3  1  0.215  0.506  0.578  1.0
  Mn  Mn4  1  0.698  0.006  0.509  1.0
  Mn  Mn5  1  0.286  0.996  0.016  1.0
  P  P6  1  0.150  0.008  0.689  1.0
  P  P7  1  0.817  0.995  0.207  1.0
  P  P8  1  0.683  0.503  0.388  1.0
  P  P9  1  0.349  0.494  0.905  1.0
  O  O10  1  0.923  0.001  0.350  1.0
  O  O11  1  0.081  0.002  0.836  1.0
  O  O12  1  0.470  0.017  0.667  1.0
  O  O13  1  0.506  0.982  0.202  1.0
  O  O14  1  0.946  0.191  0.129  1.0
  O  O15  1  0.020  0.817  0.611  1.0
  O  O16  1  0.002  0.213  0.632  1.0
  O  O17  1  0.970  0.792  0.141  1.0
  O  O18  1  0.499  0.290  0.963  1.0
  O  O19  1  0.529  0.705  0.453  1.0
  O  O20  1  0.553  0.307  0.465  1.0
  O  O21  1  0.478  0.685  0.983  1.0
  O  O22  1  0.577  0.497  0.244  1.0
  O  O23  1  0.420  0.499  0.759  1.0
  O  O24  1  0.994  0.517  0.392  1.0
  O  O25  1  0.029  0.482  0.927  1.0
[/CIF]
.
The material described by LiMn2(PO4)2 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(14), one O(16), one O(2), one O(3), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 pentagonal pyramid,  an edgeedge with one Mn(3)O6 pentagonal pyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-68°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(13), one O(15), one O(4), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 pentagonal pyramids, corners with two equivalent Mn(3)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(13), one O(16), one O(5), one O(8), and one O(9) atom to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Mn(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-69°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mn(3)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-68°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-70°. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-66°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 pentagonal pyramid,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Mn(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 41-59°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(3)O6 pentagonal pyramid, corners with two equivalent Mn(1)O6 pentagonal pyramids,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(13), and one O(15) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(1)O6 pentagonal pyramid, corners with two equivalent Mn(3)O6 pentagonal pyramids,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the fourth P site, P(4) is bonded to one O(12), one O(14), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Mn(1)O6 pentagonal pyramid,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Mn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 41-58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Mn(3), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(4), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(4), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(4), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. is represented by the CIF card [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.862
_cell_length_b   6.125
_cell_length_c   10.229
_cell_angle_alpha   90.409
_cell_angle_beta   88.576
_cell_angle_gamma   89.916
_symmetry_Int_Tables_number   1
_cell_volume   304.492
_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  0.754  0.255  0.798  1.0
  Li  Li1  1  0.251  0.748  0.296  1.0
  Mn  Mn2  1  0.801  0.493  0.086  1.0
  Mn  Mn3  1  0.215  0.506  0.578  1.0
  Mn  Mn4  1  0.698  0.006  0.509  1.0
  Mn  Mn5  1  0.286  0.996  0.016  1.0
  P  P6  1  0.150  0.008  0.689  1.0
  P  P7  1  0.817  0.995  0.207  1.0
  P  P8  1  0.683  0.503  0.388  1.0
  P  P9  1  0.349  0.494  0.905  1.0
  O  O10  1  0.923  0.001  0.350  1.0
  O  O11  1  0.081  0.002  0.836  1.0
  O  O12  1  0.470  0.017  0.667  1.0
  O  O13  1  0.506  0.982  0.202  1.0
  O  O14  1  0.946  0.191  0.129  1.0
  O  O15  1  0.020  0.817  0.611  1.0
  O  O16  1  0.002  0.213  0.632  1.0
  O  O17  1  0.970  0.792  0.141  1.0
  O  O18  1  0.499  0.290  0.963  1.0
  O  O19  1  0.529  0.705  0.453  1.0
  O  O20  1  0.553  0.307  0.465  1.0
  O  O21  1  0.478  0.685  0.983  1.0
  O  O22  1  0.577  0.497  0.244  1.0
  O  O23  1  0.420  0.499  0.759  1.0
  O  O24  1  0.994  0.517  0.392  1.0
  O  O25  1  0.029  0.482  0.927  1.0
[/CIF]
.