The structure described by LiMn2(PO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(12), one O(15), one O(19), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the third Li site, Li(3) is bonded to one O(17), one O(20), one O(23), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(17), one O(24), and one O(8) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(10), one O(15), one O(17), one O(24), and one O(8) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(13), one O(16), one O(18), one O(20), and one O(21) atom. In the sixth Mn site, Mn(6) is bonded to one O(14), one O(16), one O(18), one O(19), one O(22), and one O(23) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(18), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra and  a cornercorner with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second P site, P(2) is bonded to one O(23), one O(24), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra and  a cornercorner with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the third P site, P(3) is bonded to one O(13), one O(14), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 38°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(16), and one O(17) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the fifth P site, P(5) is bonded to one O(1), one O(19), one O(2), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 43°. In the sixth P site, P(6) is bonded to one O(15), one O(21), one O(22), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 27°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Mn(3), one Mn(4), and one P(5) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Li(3), one Mn(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(6) atom. In the eighth O site, O(8) is bonded in a distorted tetrahedral geometry to one Li(1), one Mn(1), one Mn(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(3), one Mn(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(3) 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(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(5) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mn(6) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one P(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(5), one Mn(6), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(2), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(6), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(6), and one P(5) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Mn(5), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Mn(5) and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Mn(6) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(3), one Mn(6), and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.591
_cell_length_b   8.476
_cell_length_c   7.327
_cell_angle_alpha   87.414
_cell_angle_beta   84.681
_cell_angle_gamma   60.266
_symmetry_Int_Tables_number   1
_cell_volume   461.281
_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  0.022  0.665  0.935  1.0
  Li  Li1  1  0.664  0.306  0.912  1.0
  Li  Li2  1  0.982  0.347  0.407  1.0
  Mn  Mn3  1  0.027  0.981  0.256  1.0
  Mn  Mn4  1  0.010  0.986  0.721  1.0
  Mn  Mn5  1  0.350  0.326  0.205  1.0
  Mn  Mn6  1  0.328  0.327  0.781  1.0
  Mn  Mn7  1  0.646  0.687  0.287  1.0
  Mn  Mn8  1  0.671  0.656  0.696  1.0
  P  P9  1  0.320  0.036  0.498  1.0
  P  P10  1  0.040  0.645  0.502  1.0
  P  P11  1  0.356  0.680  0.002  1.0
  P  P12  1  0.653  0.326  0.490  1.0
  P  P13  1  0.952  0.357  0.011  1.0
  P  P14  1  0.676  0.959  0.982  1.0
  O  O15  1  0.031  0.154  0.046  1.0
  O  O16  1  0.100  0.411  0.978  1.0
  O  O17  1  0.260  0.180  0.338  1.0
  O  O18  1  0.288  0.133  0.679  1.0
  O  O19  1  0.143  0.589  0.675  1.0
  O  O20  1  0.157  0.548  0.325  1.0
  O  O21  1  0.482  0.123  0.013  1.0
  O  O22  1  0.150  0.796  0.995  1.0
  O  O23  1  0.405  0.472  0.008  1.0
  O  O24  1  0.196  0.953  0.499  1.0
  O  O25  1  0.573  0.294  0.328  1.0
  O  O26  1  0.574  0.297  0.676  1.0
  O  O27  1  0.419  0.730  0.167  1.0
  O  O28  1  0.444  0.709  0.818  1.0
  O  O29  1  0.806  0.035  0.939  1.0
  O  O30  1  0.612  0.534  0.493  1.0
  O  O31  1  0.861  0.205  0.481  1.0
  O  O32  1  0.521  0.885  0.466  1.0
  O  O33  1  0.825  0.414  0.853  1.0
  O  O34  1  0.837  0.459  0.190  1.0
  O  O35  1  0.737  0.835  0.153  1.0
  O  O36  1  0.706  0.835  0.818  1.0
  O  O37  1  0.886  0.591  0.522  1.0
  O  O38  1  0.956  0.851  0.477  1.0
[/CIF]
.
The structure described by LiMn2(PO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(12), one O(15), one O(19), and one O(9) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the third Li site, Li(3) is bonded to one O(17), one O(20), one O(23), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(17), one O(24), and one O(8) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(10), one O(15), one O(17), one O(24), and one O(8) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(13), one O(16), one O(18), one O(20), and one O(21) atom. In the sixth Mn site, Mn(6) is bonded to one O(14), one O(16), one O(18), one O(19), one O(22), and one O(23) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(18), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra and  a cornercorner with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second P site, P(2) is bonded to one O(23), one O(24), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra and  a cornercorner with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the third P site, P(3) is bonded to one O(13), one O(14), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 38°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(16), and one O(17) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the fifth P site, P(5) is bonded to one O(1), one O(19), one O(2), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 43°. In the sixth P site, P(6) is bonded to one O(15), one O(21), one O(22), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(6)O6 octahedra and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 27°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Mn(3), one Mn(4), and one P(5) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Li(3), one Mn(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(6) atom. In the eighth O site, O(8) is bonded in a distorted tetrahedral geometry to one Li(1), one Mn(1), one Mn(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(3), one Mn(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(3) 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(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(5) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mn(6) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one P(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(5), one Mn(6), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(2), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(6), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(6), and one P(5) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Mn(5), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Mn(5) and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Mn(6) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(3), one Mn(6), and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.591
_cell_length_b   8.476
_cell_length_c   7.327
_cell_angle_alpha   87.414
_cell_angle_beta   84.681
_cell_angle_gamma   60.266
_symmetry_Int_Tables_number   1
_cell_volume   461.281
_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  0.022  0.665  0.935  1.0
  Li  Li1  1  0.664  0.306  0.912  1.0
  Li  Li2  1  0.982  0.347  0.407  1.0
  Mn  Mn3  1  0.027  0.981  0.256  1.0
  Mn  Mn4  1  0.010  0.986  0.721  1.0
  Mn  Mn5  1  0.350  0.326  0.205  1.0
  Mn  Mn6  1  0.328  0.327  0.781  1.0
  Mn  Mn7  1  0.646  0.687  0.287  1.0
  Mn  Mn8  1  0.671  0.656  0.696  1.0
  P  P9  1  0.320  0.036  0.498  1.0
  P  P10  1  0.040  0.645  0.502  1.0
  P  P11  1  0.356  0.680  0.002  1.0
  P  P12  1  0.653  0.326  0.490  1.0
  P  P13  1  0.952  0.357  0.011  1.0
  P  P14  1  0.676  0.959  0.982  1.0
  O  O15  1  0.031  0.154  0.046  1.0
  O  O16  1  0.100  0.411  0.978  1.0
  O  O17  1  0.260  0.180  0.338  1.0
  O  O18  1  0.288  0.133  0.679  1.0
  O  O19  1  0.143  0.589  0.675  1.0
  O  O20  1  0.157  0.548  0.325  1.0
  O  O21  1  0.482  0.123  0.013  1.0
  O  O22  1  0.150  0.796  0.995  1.0
  O  O23  1  0.405  0.472  0.008  1.0
  O  O24  1  0.196  0.953  0.499  1.0
  O  O25  1  0.573  0.294  0.328  1.0
  O  O26  1  0.574  0.297  0.676  1.0
  O  O27  1  0.419  0.730  0.167  1.0
  O  O28  1  0.444  0.709  0.818  1.0
  O  O29  1  0.806  0.035  0.939  1.0
  O  O30  1  0.612  0.534  0.493  1.0
  O  O31  1  0.861  0.205  0.481  1.0
  O  O32  1  0.521  0.885  0.466  1.0
  O  O33  1  0.825  0.414  0.853  1.0
  O  O34  1  0.837  0.459  0.190  1.0
  O  O35  1  0.737  0.835  0.153  1.0
  O  O36  1  0.706  0.835  0.818  1.0
  O  O37  1  0.886  0.591  0.522  1.0
  O  O38  1  0.956  0.851  0.477  1.0
[/CIF]
.