The compound described by LiMn4(PO4)3 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(6), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 71-83°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form distorted 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,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(8), and one O(9) 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,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(10), and two equivalent O(9) atoms. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form distorted 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,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), 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, corners with three equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-58°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(12), and one O(5) 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(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the third P site, P(3) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 41-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(4), and one P(1) atom to form distorted OLi2MnP tetrahedra that share corners with two equivalent O(1)Li2MnP tetrahedra and edges with two equivalent O(8)LiMn2P trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(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 Mn(1), one Mn(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(3) atom. In the eighth O site, O(8) is bonded to one Li(1), one Mn(2), one Mn(4), and one P(1) atom to form edge-sharing OLiMn2P trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Mn(2), two equivalent Mn(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Mn(1), two equivalent Mn(3), and one P(2) 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 planar geometry to one Mn(2), one Mn(4), and one P(2) atom. is represented by the CIF card [CIF]
data_LiMn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.943
_cell_length_b   8.943
_cell_length_c   6.626
_cell_angle_alpha   72.252
_cell_angle_beta   72.252
_cell_angle_gamma   96.575
_symmetry_Int_Tables_number   1
_cell_volume   467.898
_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  0.951  0.992  0.228  1.0
  Li  Li1  1  0.992  0.951  0.728  1.0
  Mn  Mn2  1  0.353  0.057  0.896  1.0
  Mn  Mn3  1  0.057  0.353  0.396  1.0
  Mn  Mn4  1  0.736  0.276  0.239  1.0
  Mn  Mn5  1  0.490  0.471  0.442  1.0
  Mn  Mn6  1  0.276  0.736  0.739  1.0
  Mn  Mn7  1  0.471  0.490  0.942  1.0
  Mn  Mn8  1  0.639  0.942  0.119  1.0
  Mn  Mn9  1  0.942  0.639  0.619  1.0
  P  P10  1  0.672  0.888  0.622  1.0
  P  P11  1  0.888  0.672  0.122  1.0
  P  P12  1  0.692  0.310  0.751  1.0
  P  P13  1  0.310  0.692  0.251  1.0
  P  P14  1  0.115  0.329  0.889  1.0
  P  P15  1  0.329  0.115  0.389  1.0
  O  O16  1  0.845  0.854  0.590  1.0
  O  O17  1  0.621  0.965  0.801  1.0
  O  O18  1  0.854  0.845  0.090  1.0
  O  O19  1  0.965  0.621  0.301  1.0
  O  O20  1  0.328  0.995  0.617  1.0
  O  O21  1  0.542  0.730  0.687  1.0
  O  O22  1  0.716  0.482  0.767  1.0
  O  O23  1  0.995  0.328  0.117  1.0
  O  O24  1  0.156  0.144  0.434  1.0
  O  O25  1  0.382  0.043  0.204  1.0
  O  O26  1  0.144  0.156  0.934  1.0
  O  O27  1  0.043  0.382  0.704  1.0
  O  O28  1  0.692  0.010  0.382  1.0
  O  O29  1  0.459  0.279  0.316  1.0
  O  O30  1  0.290  0.515  0.244  1.0
  O  O31  1  0.292  0.800  0.034  1.0
  O  O32  1  0.010  0.692  0.882  1.0
  O  O33  1  0.279  0.459  0.816  1.0
  O  O34  1  0.198  0.709  0.467  1.0
  O  O35  1  0.515  0.290  0.744  1.0
  O  O36  1  0.482  0.716  0.267  1.0
  O  O37  1  0.800  0.292  0.534  1.0
  O  O38  1  0.730  0.542  0.187  1.0
  O  O39  1  0.709  0.198  0.967  1.0
[/CIF]
.
The compound described by LiMn4(PO4)3 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(6), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 71-83°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form distorted 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,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(8), and one O(9) 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,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(10), and two equivalent O(9) atoms. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form distorted 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,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), 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, corners with three equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-58°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(12), and one O(5) 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(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the third P site, P(3) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 41-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(4), and one P(1) atom to form distorted OLi2MnP tetrahedra that share corners with two equivalent O(1)Li2MnP tetrahedra and edges with two equivalent O(8)LiMn2P trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(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 Mn(1), one Mn(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(3) atom. In the eighth O site, O(8) is bonded to one Li(1), one Mn(2), one Mn(4), and one P(1) atom to form edge-sharing OLiMn2P trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Mn(2), two equivalent Mn(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Mn(1), two equivalent Mn(3), and one P(2) 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 planar geometry to one Mn(2), one Mn(4), and one P(2) atom. is represented by the CIF card [CIF]
data_LiMn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.943
_cell_length_b   8.943
_cell_length_c   6.626
_cell_angle_alpha   72.252
_cell_angle_beta   72.252
_cell_angle_gamma   96.575
_symmetry_Int_Tables_number   1
_cell_volume   467.898
_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  0.951  0.992  0.228  1.0
  Li  Li1  1  0.992  0.951  0.728  1.0
  Mn  Mn2  1  0.353  0.057  0.896  1.0
  Mn  Mn3  1  0.057  0.353  0.396  1.0
  Mn  Mn4  1  0.736  0.276  0.239  1.0
  Mn  Mn5  1  0.490  0.471  0.442  1.0
  Mn  Mn6  1  0.276  0.736  0.739  1.0
  Mn  Mn7  1  0.471  0.490  0.942  1.0
  Mn  Mn8  1  0.639  0.942  0.119  1.0
  Mn  Mn9  1  0.942  0.639  0.619  1.0
  P  P10  1  0.672  0.888  0.622  1.0
  P  P11  1  0.888  0.672  0.122  1.0
  P  P12  1  0.692  0.310  0.751  1.0
  P  P13  1  0.310  0.692  0.251  1.0
  P  P14  1  0.115  0.329  0.889  1.0
  P  P15  1  0.329  0.115  0.389  1.0
  O  O16  1  0.845  0.854  0.590  1.0
  O  O17  1  0.621  0.965  0.801  1.0
  O  O18  1  0.854  0.845  0.090  1.0
  O  O19  1  0.965  0.621  0.301  1.0
  O  O20  1  0.328  0.995  0.617  1.0
  O  O21  1  0.542  0.730  0.687  1.0
  O  O22  1  0.716  0.482  0.767  1.0
  O  O23  1  0.995  0.328  0.117  1.0
  O  O24  1  0.156  0.144  0.434  1.0
  O  O25  1  0.382  0.043  0.204  1.0
  O  O26  1  0.144  0.156  0.934  1.0
  O  O27  1  0.043  0.382  0.704  1.0
  O  O28  1  0.692  0.010  0.382  1.0
  O  O29  1  0.459  0.279  0.316  1.0
  O  O30  1  0.290  0.515  0.244  1.0
  O  O31  1  0.292  0.800  0.034  1.0
  O  O32  1  0.010  0.692  0.882  1.0
  O  O33  1  0.279  0.459  0.816  1.0
  O  O34  1  0.198  0.709  0.467  1.0
  O  O35  1  0.515  0.290  0.744  1.0
  O  O36  1  0.482  0.716  0.267  1.0
  O  O37  1  0.800  0.292  0.534  1.0
  O  O38  1  0.730  0.542  0.187  1.0
  O  O39  1  0.709  0.198  0.967  1.0
[/CIF]
.