The material structure 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(13), one O(15), one O(5), and one O(9) 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, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Mn(3)O5 trigonal bipyramids, and corners with two equivalent Mn(1)O4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(10), one O(14), one O(16), and one O(6) 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, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent Mn(4)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O4 trigonal pyramids. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(13), one O(15), and one O(7) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. In the second Mn site, Mn(2) is bonded to one O(12), one O(14), one O(16), and one O(8) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one P(4)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(1)O4 trigonal pyramid, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O5 trigonal bipyramids,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Mn(1)O4 trigonal pyramid, and  a cornercorner with one Mn(2)O4 trigonal pyramid. In the second P site, P(2) is bonded to one O(15), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(4)O5 trigonal bipyramids,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Mn(1)O4 trigonal pyramid, and  a cornercorner with one Mn(2)O4 trigonal pyramid. In the third P site, P(3) is bonded to one O(11), one O(13), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Li(1)O4 trigonal pyramids, corners with two equivalent Mn(1)O4 trigonal pyramids, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(12), and one O(14) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Li(2)O4 trigonal pyramids, corners with two equivalent Mn(2)O4 trigonal pyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(3) and one P(4) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mn(4) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(4) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(4), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Mn(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(2), one Mn(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(4), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   9.714
_cell_length_c   7.228
_cell_angle_alpha   90.075
_cell_angle_beta   90.075
_cell_angle_gamma   94.279
_symmetry_Int_Tables_number   1
_cell_volume   356.145
_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  0.738  0.348  0.518  1.0
  Li  Li1  1  0.738  0.849  0.982  1.0
  Mn  Mn2  1  0.749  0.319  0.022  1.0
  Mn  Mn3  1  0.751  0.819  0.478  1.0
  Mn  Mn4  1  0.195  0.128  0.460  1.0
  Mn  Mn5  1  0.195  0.628  0.040  1.0
  P  P6  1  0.736  0.085  0.725  1.0
  P  P7  1  0.736  0.585  0.775  1.0
  P  P8  1  0.273  0.421  0.266  1.0
  P  P9  1  0.274  0.921  0.234  1.0
  O  O10  1  0.263  0.079  0.199  1.0
  O  O11  1  0.261  0.579  0.301  1.0
  O  O12  1  0.034  0.138  0.692  1.0
  O  O13  1  0.034  0.637  0.807  1.0
  O  O14  1  0.581  0.148  0.564  1.0
  O  O15  1  0.582  0.649  0.937  1.0
  O  O16  1  0.667  0.130  0.920  1.0
  O  O17  1  0.665  0.629  0.580  1.0
  O  O18  1  0.103  0.326  0.399  1.0
  O  O19  1  0.106  0.826  0.100  1.0
  O  O20  1  0.146  0.416  0.063  1.0
  O  O21  1  0.146  0.916  0.436  1.0
  O  O22  1  0.555  0.375  0.264  1.0
  O  O23  1  0.557  0.875  0.237  1.0
  O  O24  1  0.702  0.425  0.779  1.0
  O  O25  1  0.702  0.925  0.721  1.0
[/CIF]
.
The material structure 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(13), one O(15), one O(5), and one O(9) 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, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Mn(3)O5 trigonal bipyramids, and corners with two equivalent Mn(1)O4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(10), one O(14), one O(16), and one O(6) 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, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent Mn(4)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O4 trigonal pyramids. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(13), one O(15), and one O(7) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. In the second Mn site, Mn(2) is bonded to one O(12), one O(14), one O(16), and one O(8) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one P(4)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(1)O4 trigonal pyramid, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O5 trigonal bipyramids,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Mn(1)O4 trigonal pyramid, and  a cornercorner with one Mn(2)O4 trigonal pyramid. In the second P site, P(2) is bonded to one O(15), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(4)O5 trigonal bipyramids,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Mn(1)O4 trigonal pyramid, and  a cornercorner with one Mn(2)O4 trigonal pyramid. In the third P site, P(3) is bonded to one O(11), one O(13), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Li(1)O4 trigonal pyramids, corners with two equivalent Mn(1)O4 trigonal pyramids, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(12), and one O(14) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Li(2)O4 trigonal pyramids, corners with two equivalent Mn(2)O4 trigonal pyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(3) and one P(4) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mn(4) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(4) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(4), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Mn(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(2), one Mn(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(4), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   9.714
_cell_length_c   7.228
_cell_angle_alpha   90.075
_cell_angle_beta   90.075
_cell_angle_gamma   94.279
_symmetry_Int_Tables_number   1
_cell_volume   356.145
_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  0.738  0.348  0.518  1.0
  Li  Li1  1  0.738  0.849  0.982  1.0
  Mn  Mn2  1  0.749  0.319  0.022  1.0
  Mn  Mn3  1  0.751  0.819  0.478  1.0
  Mn  Mn4  1  0.195  0.128  0.460  1.0
  Mn  Mn5  1  0.195  0.628  0.040  1.0
  P  P6  1  0.736  0.085  0.725  1.0
  P  P7  1  0.736  0.585  0.775  1.0
  P  P8  1  0.273  0.421  0.266  1.0
  P  P9  1  0.274  0.921  0.234  1.0
  O  O10  1  0.263  0.079  0.199  1.0
  O  O11  1  0.261  0.579  0.301  1.0
  O  O12  1  0.034  0.138  0.692  1.0
  O  O13  1  0.034  0.637  0.807  1.0
  O  O14  1  0.581  0.148  0.564  1.0
  O  O15  1  0.582  0.649  0.937  1.0
  O  O16  1  0.667  0.130  0.920  1.0
  O  O17  1  0.665  0.629  0.580  1.0
  O  O18  1  0.103  0.326  0.399  1.0
  O  O19  1  0.106  0.826  0.100  1.0
  O  O20  1  0.146  0.416  0.063  1.0
  O  O21  1  0.146  0.916  0.436  1.0
  O  O22  1  0.555  0.375  0.264  1.0
  O  O23  1  0.557  0.875  0.237  1.0
  O  O24  1  0.702  0.425  0.779  1.0
  O  O25  1  0.702  0.925  0.721  1.0
[/CIF]
.