The material structure described by LiMn2(PO4)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(12), one O(7), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(4), one O(7), and two equivalent O(10) atoms to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) 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(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(12), one O(2), one O(6), one O(9), and two equivalent O(3) atoms to form MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), 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, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the second P site, P(2) is bonded to one O(11), one O(2), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-64°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(1), and one P(1) atom to form distorted edge-sharing OLi2MnP trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), 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 bent 120 degrees geometry to one Mn(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(3), and one P(3) atom. is represented by the CIF card [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.761
_cell_length_b   8.560
_cell_length_c   8.716
_cell_angle_alpha   91.364
_cell_angle_beta   108.924
_cell_angle_gamma   108.490
_symmetry_Int_Tables_number   1
_cell_volume   448.054
_cell_formula_units_Z   3
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  0.744  0.010  0.007  1.0
  Li  Li1  1  0.256  0.990  0.993  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.360  0.936  0.618  1.0
  Mn  Mn4  1  0.741  0.719  0.282  1.0
  Mn  Mn5  1  0.861  0.619  0.940  1.0
  Mn  Mn6  1  0.139  0.381  0.060  1.0
  Mn  Mn7  1  0.259  0.281  0.718  1.0
  Mn  Mn8  1  0.640  0.064  0.382  1.0
  P  P9  1  0.375  0.661  0.882  1.0
  P  P10  1  0.755  0.298  0.711  1.0
  P  P11  1  0.885  0.876  0.666  1.0
  P  P12  1  0.115  0.124  0.334  1.0
  P  P13  1  0.245  0.702  0.289  1.0
  P  P14  1  0.625  0.339  0.118  1.0
  O  O15  1  0.397  0.843  0.850  1.0
  O  O16  1  0.960  0.264  0.833  1.0
  O  O17  1  0.195  0.597  0.966  1.0
  O  O18  1  0.775  0.279  0.540  1.0
  O  O19  1  0.696  0.460  0.273  1.0
  O  O20  1  0.606  0.675  0.009  1.0
  O  O21  1  0.888  0.984  0.310  1.0
  O  O22  1  0.850  0.731  0.543  1.0
  O  O23  1  0.750  0.477  0.735  1.0
  O  O24  1  0.307  0.051  0.393  1.0
  O  O25  1  0.538  0.179  0.729  1.0
  O  O26  1  0.912  0.831  0.845  1.0
  O  O27  1  0.088  0.169  0.155  1.0
  O  O28  1  0.462  0.821  0.271  1.0
  O  O29  1  0.693  0.949  0.607  1.0
  O  O30  1  0.250  0.523  0.265  1.0
  O  O31  1  0.150  0.269  0.457  1.0
  O  O32  1  0.112  0.016  0.690  1.0
  O  O33  1  0.394  0.325  0.991  1.0
  O  O34  1  0.304  0.540  0.727  1.0
  O  O35  1  0.225  0.721  0.460  1.0
  O  O36  1  0.805  0.403  0.034  1.0
  O  O37  1  0.040  0.736  0.167  1.0
  O  O38  1  0.603  0.157  0.150  1.0
[/CIF]
.
The material structure described by LiMn2(PO4)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(12), one O(7), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(4), one O(7), and two equivalent O(10) atoms to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) 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(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(12), one O(2), one O(6), one O(9), and two equivalent O(3) atoms to form MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), 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, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the second P site, P(2) is bonded to one O(11), one O(2), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-64°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(1), and one P(1) atom to form distorted edge-sharing OLi2MnP trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), 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 bent 120 degrees geometry to one Mn(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(3), and one P(3) atom. is represented by the CIF card [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.761
_cell_length_b   8.560
_cell_length_c   8.716
_cell_angle_alpha   91.364
_cell_angle_beta   108.924
_cell_angle_gamma   108.490
_symmetry_Int_Tables_number   1
_cell_volume   448.054
_cell_formula_units_Z   3
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  0.744  0.010  0.007  1.0
  Li  Li1  1  0.256  0.990  0.993  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.360  0.936  0.618  1.0
  Mn  Mn4  1  0.741  0.719  0.282  1.0
  Mn  Mn5  1  0.861  0.619  0.940  1.0
  Mn  Mn6  1  0.139  0.381  0.060  1.0
  Mn  Mn7  1  0.259  0.281  0.718  1.0
  Mn  Mn8  1  0.640  0.064  0.382  1.0
  P  P9  1  0.375  0.661  0.882  1.0
  P  P10  1  0.755  0.298  0.711  1.0
  P  P11  1  0.885  0.876  0.666  1.0
  P  P12  1  0.115  0.124  0.334  1.0
  P  P13  1  0.245  0.702  0.289  1.0
  P  P14  1  0.625  0.339  0.118  1.0
  O  O15  1  0.397  0.843  0.850  1.0
  O  O16  1  0.960  0.264  0.833  1.0
  O  O17  1  0.195  0.597  0.966  1.0
  O  O18  1  0.775  0.279  0.540  1.0
  O  O19  1  0.696  0.460  0.273  1.0
  O  O20  1  0.606  0.675  0.009  1.0
  O  O21  1  0.888  0.984  0.310  1.0
  O  O22  1  0.850  0.731  0.543  1.0
  O  O23  1  0.750  0.477  0.735  1.0
  O  O24  1  0.307  0.051  0.393  1.0
  O  O25  1  0.538  0.179  0.729  1.0
  O  O26  1  0.912  0.831  0.845  1.0
  O  O27  1  0.088  0.169  0.155  1.0
  O  O28  1  0.462  0.821  0.271  1.0
  O  O29  1  0.693  0.949  0.607  1.0
  O  O30  1  0.250  0.523  0.265  1.0
  O  O31  1  0.150  0.269  0.457  1.0
  O  O32  1  0.112  0.016  0.690  1.0
  O  O33  1  0.394  0.325  0.991  1.0
  O  O34  1  0.304  0.540  0.727  1.0
  O  O35  1  0.225  0.721  0.460  1.0
  O  O36  1  0.805  0.403  0.034  1.0
  O  O37  1  0.040  0.736  0.167  1.0
  O  O38  1  0.603  0.157  0.150  1.0
[/CIF]
.