The crystal structure described by LiMn4(PO4)3 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 pentagonal pyramid, corners with three equivalent P(1)O4 tetrahedra, corners with four equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted MnO6 pentagonal pyramids that share corners with six equivalent P(1)O4 tetrahedra and corners with three equivalent Mn(1)O5 trigonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 pentagonal pyramids, corners with three equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(2), and one P(1) atom to form distorted edge-sharing OLiMn2P tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.658
_cell_length_b   9.658
_cell_length_c   6.209
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   501.635
_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  0.333  0.667  0.028  1.0
  Li  Li1  1  0.667  0.333  0.528  1.0
  Mn  Mn2  1  0.964  0.696  0.249  1.0
  Mn  Mn3  1  0.333  0.667  0.492  1.0
  Mn  Mn4  1  0.304  0.267  0.249  1.0
  Mn  Mn5  1  0.733  0.036  0.249  1.0
  Mn  Mn6  1  0.267  0.964  0.749  1.0
  Mn  Mn7  1  0.696  0.733  0.749  1.0
  Mn  Mn8  1  0.667  0.333  0.992  1.0
  Mn  Mn9  1  0.036  0.304  0.749  1.0
  P  P10  1  0.019  0.630  0.750  1.0
  P  P11  1  0.611  0.981  0.750  1.0
  P  P12  1  0.370  0.389  0.750  1.0
  P  P13  1  0.630  0.611  0.250  1.0
  P  P14  1  0.389  0.019  0.250  1.0
  P  P15  1  0.981  0.370  0.250  1.0
  O  O16  1  0.067  0.749  0.555  1.0
  O  O17  1  0.071  0.747  0.946  1.0
  O  O18  1  0.131  0.556  0.740  1.0
  O  O19  1  0.344  0.843  0.253  1.0
  O  O20  1  0.157  0.501  0.253  1.0
  O  O21  1  0.425  0.869  0.740  1.0
  O  O22  1  0.253  0.324  0.946  1.0
  O  O23  1  0.251  0.318  0.555  1.0
  O  O24  1  0.499  0.656  0.253  1.0
  O  O25  1  0.444  0.575  0.740  1.0
  O  O26  1  0.676  0.929  0.946  1.0
  O  O27  1  0.682  0.933  0.555  1.0
  O  O28  1  0.324  0.071  0.446  1.0
  O  O29  1  0.318  0.067  0.055  1.0
  O  O30  1  0.556  0.425  0.240  1.0
  O  O31  1  0.501  0.344  0.753  1.0
  O  O32  1  0.749  0.682  0.055  1.0
  O  O33  1  0.747  0.676  0.446  1.0
  O  O34  1  0.575  0.131  0.240  1.0
  O  O35  1  0.843  0.499  0.753  1.0
  O  O36  1  0.656  0.157  0.753  1.0
  O  O37  1  0.869  0.444  0.240  1.0
  O  O38  1  0.933  0.251  0.055  1.0
  O  O39  1  0.929  0.253  0.446  1.0
[/CIF]
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The crystal structure described by LiMn4(PO4)3 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 pentagonal pyramid, corners with three equivalent P(1)O4 tetrahedra, corners with four equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted MnO6 pentagonal pyramids that share corners with six equivalent P(1)O4 tetrahedra and corners with three equivalent Mn(1)O5 trigonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 pentagonal pyramids, corners with three equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(2), and one P(1) atom to form distorted edge-sharing OLiMn2P tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.658
_cell_length_b   9.658
_cell_length_c   6.209
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   501.635
_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  0.333  0.667  0.028  1.0
  Li  Li1  1  0.667  0.333  0.528  1.0
  Mn  Mn2  1  0.964  0.696  0.249  1.0
  Mn  Mn3  1  0.333  0.667  0.492  1.0
  Mn  Mn4  1  0.304  0.267  0.249  1.0
  Mn  Mn5  1  0.733  0.036  0.249  1.0
  Mn  Mn6  1  0.267  0.964  0.749  1.0
  Mn  Mn7  1  0.696  0.733  0.749  1.0
  Mn  Mn8  1  0.667  0.333  0.992  1.0
  Mn  Mn9  1  0.036  0.304  0.749  1.0
  P  P10  1  0.019  0.630  0.750  1.0
  P  P11  1  0.611  0.981  0.750  1.0
  P  P12  1  0.370  0.389  0.750  1.0
  P  P13  1  0.630  0.611  0.250  1.0
  P  P14  1  0.389  0.019  0.250  1.0
  P  P15  1  0.981  0.370  0.250  1.0
  O  O16  1  0.067  0.749  0.555  1.0
  O  O17  1  0.071  0.747  0.946  1.0
  O  O18  1  0.131  0.556  0.740  1.0
  O  O19  1  0.344  0.843  0.253  1.0
  O  O20  1  0.157  0.501  0.253  1.0
  O  O21  1  0.425  0.869  0.740  1.0
  O  O22  1  0.253  0.324  0.946  1.0
  O  O23  1  0.251  0.318  0.555  1.0
  O  O24  1  0.499  0.656  0.253  1.0
  O  O25  1  0.444  0.575  0.740  1.0
  O  O26  1  0.676  0.929  0.946  1.0
  O  O27  1  0.682  0.933  0.555  1.0
  O  O28  1  0.324  0.071  0.446  1.0
  O  O29  1  0.318  0.067  0.055  1.0
  O  O30  1  0.556  0.425  0.240  1.0
  O  O31  1  0.501  0.344  0.753  1.0
  O  O32  1  0.749  0.682  0.055  1.0
  O  O33  1  0.747  0.676  0.446  1.0
  O  O34  1  0.575  0.131  0.240  1.0
  O  O35  1  0.843  0.499  0.753  1.0
  O  O36  1  0.656  0.157  0.753  1.0
  O  O37  1  0.869  0.444  0.240  1.0
  O  O38  1  0.933  0.251  0.055  1.0
  O  O39  1  0.929  0.253  0.446  1.0
[/CIF]
.