The crystal structure described by LiMn3(PO4)4 crystallizes in the monoclinic Pm space group. Li(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share 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(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)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, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the third Mn site, Mn(3) is bonded to one O(10), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)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, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. In the second P site, P(2) is bonded to one O(5), one O(9), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. 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 in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. is represented by the CIF card [CIF]
data_LiMn3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   4.806
_cell_length_c   9.853
_cell_angle_alpha   89.097
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.834
_cell_formula_units_Z   1
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  0.500  0.956  0.730  1.0
  Mn  Mn1  1  0.000  0.064  0.279  1.0
  Mn  Mn2  1  0.000  0.465  0.775  1.0
  Mn  Mn3  1  0.500  0.551  0.215  1.0
  P  P4  1  0.500  0.081  0.403  1.0
  P  P5  1  0.500  0.421  0.907  1.0
  P  P6  1  0.000  0.593  0.091  1.0
  P  P7  1  0.000  0.903  0.600  1.0
  O  O8  1  0.500  0.134  0.551  1.0
  O  O9  1  0.298  0.234  0.325  1.0
  O  O10  1  0.702  0.234  0.325  1.0
  O  O11  1  0.000  0.218  0.623  1.0
  O  O12  1  0.000  0.275  0.111  1.0
  O  O13  1  0.500  0.322  0.059  1.0
  O  O14  1  0.290  0.287  0.836  1.0
  O  O15  1  0.710  0.287  0.836  1.0
  O  O16  1  0.000  0.673  0.940  1.0
  O  O17  1  0.798  0.735  0.166  1.0
  O  O18  1  0.202  0.735  0.166  1.0
  O  O19  1  0.500  0.735  0.897  1.0
  O  O20  1  0.500  0.767  0.375  1.0
  O  O21  1  0.803  0.741  0.672  1.0
  O  O22  1  0.197  0.741  0.672  1.0
  O  O23  1  0.000  0.853  0.446  1.0
[/CIF]
.
The crystal structure described by LiMn3(PO4)4 crystallizes in the monoclinic Pm space group. Li(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share 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(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)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, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the third Mn site, Mn(3) is bonded to one O(10), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)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, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. In the second P site, P(2) is bonded to one O(5), one O(9), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. 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 in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. is represented by the CIF card [CIF]
data_LiMn3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   4.806
_cell_length_c   9.853
_cell_angle_alpha   89.097
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.834
_cell_formula_units_Z   1
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  0.500  0.956  0.730  1.0
  Mn  Mn1  1  0.000  0.064  0.279  1.0
  Mn  Mn2  1  0.000  0.465  0.775  1.0
  Mn  Mn3  1  0.500  0.551  0.215  1.0
  P  P4  1  0.500  0.081  0.403  1.0
  P  P5  1  0.500  0.421  0.907  1.0
  P  P6  1  0.000  0.593  0.091  1.0
  P  P7  1  0.000  0.903  0.600  1.0
  O  O8  1  0.500  0.134  0.551  1.0
  O  O9  1  0.298  0.234  0.325  1.0
  O  O10  1  0.702  0.234  0.325  1.0
  O  O11  1  0.000  0.218  0.623  1.0
  O  O12  1  0.000  0.275  0.111  1.0
  O  O13  1  0.500  0.322  0.059  1.0
  O  O14  1  0.290  0.287  0.836  1.0
  O  O15  1  0.710  0.287  0.836  1.0
  O  O16  1  0.000  0.673  0.940  1.0
  O  O17  1  0.798  0.735  0.166  1.0
  O  O18  1  0.202  0.735  0.166  1.0
  O  O19  1  0.500  0.735  0.897  1.0
  O  O20  1  0.500  0.767  0.375  1.0
  O  O21  1  0.803  0.741  0.672  1.0
  O  O22  1  0.197  0.741  0.672  1.0
  O  O23  1  0.000  0.853  0.446  1.0
[/CIF]
.