The material structure described by LiMn4(PO4)3 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(11), one O(20), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)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 range from 78-80°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)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 range from 78-80°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(15), one O(19), one O(2), one O(22), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 64-65°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(13), one O(18), one O(21), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 64-65°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(15), one O(22), one O(23), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  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, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-65°. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(17), one O(21), one O(4), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  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, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(16), one O(18), one O(20), one O(24), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  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, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-65°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(14), one O(19), one O(2), one O(3), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  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, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the seventh Mn site, Mn(7) is bonded to one O(12), one O(14), one O(20), one O(23), one O(3), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. In the eighth Mn site, Mn(8) is bonded to one O(11), one O(16), one O(17), one O(24), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(14), one O(17), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second P site, P(2) is bonded to one O(11), one O(18), one O(21), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the third P site, P(3) is bonded to one O(1), one O(16), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. In the fourth P site, P(4) is bonded to one O(15), one O(2), one O(20), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. In the fifth P site, P(5) is bonded to one O(23), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the sixth P site, P(6) is bonded to one O(10), one O(12), one O(22), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Mn(2), one Mn(6), and one P(3) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(6), and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(6), one Mn(7), and one P(5) atom. In the fourth O site, O(4) is bonded to one Li(2), one Mn(4), one Mn(7), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(8), and one P(3) atom. In the sixth O site, O(6) is bonded to one Li(2), one Mn(6), one Mn(8), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the seventh O site, O(7) is bonded to one Li(2), one Mn(1), one Mn(4), and one P(5) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Mn(2), one Mn(3), and one P(3) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Mn(1), one Mn(5), and one P(5) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one P(6) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Mn(3), one Mn(8), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(7), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(6), one Mn(7), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(8), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(8), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one P(2) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(6), and one P(1) atom. In the twentieth O site, O(20) is bonded to one Li(1), one Mn(5), one Mn(7), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(7), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(8), and one P(6) atom. is represented by the CIF file [CIF]
data_LiMn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.851
_cell_length_b   6.848
_cell_length_c   10.864
_cell_angle_alpha   71.644
_cell_angle_beta   71.688
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   456.480
_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  0.498  0.498  0.004  1.0
  Li  Li1  1  0.248  0.743  0.503  1.0
  Mn  Mn2  1  0.637  0.125  0.251  1.0
  Mn  Mn3  1  0.375  0.364  0.751  1.0
  Mn  Mn4  1  0.981  0.480  0.040  1.0
  Mn  Mn5  1  0.230  0.231  0.539  1.0
  Mn  Mn6  1  0.520  0.020  0.962  1.0
  Mn  Mn7  1  0.767  0.770  0.463  1.0
  Mn  Mn8  1  0.110  0.626  0.251  1.0
  Mn  Mn9  1  0.875  0.890  0.751  1.0
  P  P10  1  0.749  0.252  0.501  1.0
  P  P11  1  0.874  0.475  0.752  1.0
  P  P12  1  0.374  0.780  0.750  1.0
  P  P13  1  0.524  0.626  0.251  1.0
  P  P14  1  0.222  0.125  0.251  1.0
  P  P15  1  0.000  0.001  0.001  1.0
  O  O16  1  0.468  0.701  0.623  1.0
  O  O17  1  0.625  0.791  0.289  1.0
  O  O18  1  0.083  0.921  0.291  1.0
  O  O19  1  0.321  0.531  0.378  1.0
  O  O20  1  0.211  0.919  0.710  1.0
  O  O21  1  0.904  0.680  0.625  1.0
  O  O22  1  0.302  0.094  0.377  1.0
  O  O23  1  0.279  0.576  0.877  1.0
  O  O24  1  0.425  0.157  0.123  1.0
  O  O25  1  0.229  0.096  0.918  1.0
  O  O26  1  0.845  0.553  0.878  1.0
  O  O27  1  0.012  0.772  0.082  1.0
  O  O28  1  0.521  0.264  0.583  1.0
  O  O29  1  0.843  0.480  0.418  1.0
  O  O30  1  0.663  0.461  0.211  1.0
  O  O31  1  0.540  0.879  0.789  1.0
  O  O32  1  0.896  0.158  0.583  1.0
  O  O33  1  0.670  0.337  0.792  1.0
  O  O34  1  0.738  0.105  0.418  1.0
  O  O35  1  0.445  0.720  0.124  1.0
  O  O36  1  0.079  0.378  0.710  1.0
  O  O37  1  0.906  0.146  0.084  1.0
  O  O38  1  0.123  0.329  0.212  1.0
  O  O39  1  0.854  0.991  0.918  1.0
[/CIF]
.
The material structure described by LiMn4(PO4)3 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(11), one O(20), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)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 range from 78-80°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)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 range from 78-80°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(15), one O(19), one O(2), one O(22), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 64-65°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(13), one O(18), one O(21), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 64-65°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(15), one O(22), one O(23), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  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, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-65°. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(17), one O(21), one O(4), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  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, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(16), one O(18), one O(20), one O(24), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  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, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-65°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(14), one O(19), one O(2), one O(3), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  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, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the seventh Mn site, Mn(7) is bonded to one O(12), one O(14), one O(20), one O(23), one O(3), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. In the eighth Mn site, Mn(8) is bonded to one O(11), one O(16), one O(17), one O(24), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(14), one O(17), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second P site, P(2) is bonded to one O(11), one O(18), one O(21), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the third P site, P(3) is bonded to one O(1), one O(16), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. In the fourth P site, P(4) is bonded to one O(15), one O(2), one O(20), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. In the fifth P site, P(5) is bonded to one O(23), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the sixth P site, P(6) is bonded to one O(10), one O(12), one O(22), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Mn(2), one Mn(6), and one P(3) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(6), and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(6), one Mn(7), and one P(5) atom. In the fourth O site, O(4) is bonded to one Li(2), one Mn(4), one Mn(7), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(8), and one P(3) atom. In the sixth O site, O(6) is bonded to one Li(2), one Mn(6), one Mn(8), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the seventh O site, O(7) is bonded to one Li(2), one Mn(1), one Mn(4), and one P(5) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Mn(2), one Mn(3), and one P(3) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Mn(1), one Mn(5), and one P(5) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one P(6) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Mn(3), one Mn(8), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(7), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(6), one Mn(7), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(8), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(8), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one P(2) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(6), and one P(1) atom. In the twentieth O site, O(20) is bonded to one Li(1), one Mn(5), one Mn(7), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLiMn2P tetrahedra. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(7), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(8), and one P(6) atom. is represented by the CIF file [CIF]
data_LiMn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.851
_cell_length_b   6.848
_cell_length_c   10.864
_cell_angle_alpha   71.644
_cell_angle_beta   71.688
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   456.480
_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  0.498  0.498  0.004  1.0
  Li  Li1  1  0.248  0.743  0.503  1.0
  Mn  Mn2  1  0.637  0.125  0.251  1.0
  Mn  Mn3  1  0.375  0.364  0.751  1.0
  Mn  Mn4  1  0.981  0.480  0.040  1.0
  Mn  Mn5  1  0.230  0.231  0.539  1.0
  Mn  Mn6  1  0.520  0.020  0.962  1.0
  Mn  Mn7  1  0.767  0.770  0.463  1.0
  Mn  Mn8  1  0.110  0.626  0.251  1.0
  Mn  Mn9  1  0.875  0.890  0.751  1.0
  P  P10  1  0.749  0.252  0.501  1.0
  P  P11  1  0.874  0.475  0.752  1.0
  P  P12  1  0.374  0.780  0.750  1.0
  P  P13  1  0.524  0.626  0.251  1.0
  P  P14  1  0.222  0.125  0.251  1.0
  P  P15  1  0.000  0.001  0.001  1.0
  O  O16  1  0.468  0.701  0.623  1.0
  O  O17  1  0.625  0.791  0.289  1.0
  O  O18  1  0.083  0.921  0.291  1.0
  O  O19  1  0.321  0.531  0.378  1.0
  O  O20  1  0.211  0.919  0.710  1.0
  O  O21  1  0.904  0.680  0.625  1.0
  O  O22  1  0.302  0.094  0.377  1.0
  O  O23  1  0.279  0.576  0.877  1.0
  O  O24  1  0.425  0.157  0.123  1.0
  O  O25  1  0.229  0.096  0.918  1.0
  O  O26  1  0.845  0.553  0.878  1.0
  O  O27  1  0.012  0.772  0.082  1.0
  O  O28  1  0.521  0.264  0.583  1.0
  O  O29  1  0.843  0.480  0.418  1.0
  O  O30  1  0.663  0.461  0.211  1.0
  O  O31  1  0.540  0.879  0.789  1.0
  O  O32  1  0.896  0.158  0.583  1.0
  O  O33  1  0.670  0.337  0.792  1.0
  O  O34  1  0.738  0.105  0.418  1.0
  O  O35  1  0.445  0.720  0.124  1.0
  O  O36  1  0.079  0.378  0.710  1.0
  O  O37  1  0.906  0.146  0.084  1.0
  O  O38  1  0.123  0.329  0.212  1.0
  O  O39  1  0.854  0.991  0.918  1.0
[/CIF]
.