The material structure described by Li5Mn2(PO4)3 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(2), and one O(9) atom. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(5), and one O(6) 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 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 Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 67-75°. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(10), one O(3), one O(7), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a distorted T-shaped geometry to one O(10), one O(11), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(4), one O(6), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-54°. In the third P site, P(3) is bonded to one O(1), one O(12), one O(2), and one O(7) 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 Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-63°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(2), and one P(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Mn(2), and one P(2) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Mn(2), and one P(1) atom. In the tenth O site, O(10) is bonded to one Li(4), one Li(5), one Mn(2), and one P(2) atom to form distorted corner-sharing OLi2MnP trigonal pyramids. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Mn(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Mn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.506
_cell_length_b   8.533
_cell_length_c   9.407
_cell_angle_alpha   63.171
_cell_angle_beta   63.545
_cell_angle_gamma   60.936
_symmetry_Int_Tables_number   1
_cell_volume   509.697
_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  0.976  0.232  0.173  1.0
  Li  Li1  1  0.209  0.738  0.078  1.0
  Li  Li2  1  0.654  0.923  0.155  1.0
  Li  Li3  1  0.241  0.545  0.366  1.0
  Li  Li4  1  0.684  0.353  0.378  1.0
  Li  Li5  1  0.316  0.647  0.622  1.0
  Li  Li6  1  0.759  0.455  0.634  1.0
  Li  Li7  1  0.346  0.077  0.845  1.0
  Li  Li8  1  0.791  0.262  0.922  1.0
  Li  Li9  1  0.024  0.768  0.827  1.0
  Mn  Mn10  1  0.141  0.142  0.551  1.0
  Mn  Mn11  1  0.354  0.342  0.964  1.0
  Mn  Mn12  1  0.646  0.658  0.036  1.0
  Mn  Mn13  1  0.859  0.858  0.449  1.0
  P  P14  1  0.051  0.455  0.746  1.0
  P  P15  1  0.549  0.249  0.258  1.0
  P  P16  1  0.261  0.942  0.238  1.0
  P  P17  1  0.739  0.058  0.762  1.0
  P  P18  1  0.451  0.751  0.742  1.0
  P  P19  1  0.949  0.545  0.254  1.0
  O  O20  1  0.248  0.111  0.071  1.0
  O  O21  1  0.158  0.030  0.379  1.0
  O  O22  1  0.948  0.411  0.433  1.0
  O  O23  1  0.153  0.519  0.134  1.0
  O  O24  1  0.149  0.250  0.743  1.0
  O  O25  1  0.574  0.210  0.100  1.0
  O  O26  1  0.152  0.828  0.252  1.0
  O  O27  1  0.394  0.192  0.406  1.0
  O  O28  1  0.155  0.513  0.807  1.0
  O  O29  1  0.502  0.462  0.227  1.0
  O  O30  1  0.747  0.149  0.291  1.0
  O  O31  1  0.467  0.811  0.234  1.0
  O  O32  1  0.533  0.189  0.766  1.0
  O  O33  1  0.253  0.851  0.709  1.0
  O  O34  1  0.498  0.538  0.773  1.0
  O  O35  1  0.845  0.487  0.193  1.0
  O  O36  1  0.606  0.808  0.594  1.0
  O  O37  1  0.848  0.172  0.748  1.0
  O  O38  1  0.426  0.790  0.900  1.0
  O  O39  1  0.851  0.750  0.257  1.0
  O  O40  1  0.847  0.481  0.866  1.0
  O  O41  1  0.052  0.589  0.567  1.0
  O  O42  1  0.842  0.970  0.621  1.0
  O  O43  1  0.752  0.889  0.929  1.0
[/CIF]
.
The material structure described by Li5Mn2(PO4)3 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(2), and one O(9) atom. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(5), and one O(6) 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 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 Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 67-75°. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(10), one O(3), one O(7), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a distorted T-shaped geometry to one O(10), one O(11), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(4), one O(6), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-54°. In the third P site, P(3) is bonded to one O(1), one O(12), one O(2), and one O(7) 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 Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-63°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(2), and one P(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Mn(2), and one P(2) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Mn(2), and one P(1) atom. In the tenth O site, O(10) is bonded to one Li(4), one Li(5), one Mn(2), and one P(2) atom to form distorted corner-sharing OLi2MnP trigonal pyramids. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Mn(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Mn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.506
_cell_length_b   8.533
_cell_length_c   9.407
_cell_angle_alpha   63.171
_cell_angle_beta   63.545
_cell_angle_gamma   60.936
_symmetry_Int_Tables_number   1
_cell_volume   509.697
_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  0.976  0.232  0.173  1.0
  Li  Li1  1  0.209  0.738  0.078  1.0
  Li  Li2  1  0.654  0.923  0.155  1.0
  Li  Li3  1  0.241  0.545  0.366  1.0
  Li  Li4  1  0.684  0.353  0.378  1.0
  Li  Li5  1  0.316  0.647  0.622  1.0
  Li  Li6  1  0.759  0.455  0.634  1.0
  Li  Li7  1  0.346  0.077  0.845  1.0
  Li  Li8  1  0.791  0.262  0.922  1.0
  Li  Li9  1  0.024  0.768  0.827  1.0
  Mn  Mn10  1  0.141  0.142  0.551  1.0
  Mn  Mn11  1  0.354  0.342  0.964  1.0
  Mn  Mn12  1  0.646  0.658  0.036  1.0
  Mn  Mn13  1  0.859  0.858  0.449  1.0
  P  P14  1  0.051  0.455  0.746  1.0
  P  P15  1  0.549  0.249  0.258  1.0
  P  P16  1  0.261  0.942  0.238  1.0
  P  P17  1  0.739  0.058  0.762  1.0
  P  P18  1  0.451  0.751  0.742  1.0
  P  P19  1  0.949  0.545  0.254  1.0
  O  O20  1  0.248  0.111  0.071  1.0
  O  O21  1  0.158  0.030  0.379  1.0
  O  O22  1  0.948  0.411  0.433  1.0
  O  O23  1  0.153  0.519  0.134  1.0
  O  O24  1  0.149  0.250  0.743  1.0
  O  O25  1  0.574  0.210  0.100  1.0
  O  O26  1  0.152  0.828  0.252  1.0
  O  O27  1  0.394  0.192  0.406  1.0
  O  O28  1  0.155  0.513  0.807  1.0
  O  O29  1  0.502  0.462  0.227  1.0
  O  O30  1  0.747  0.149  0.291  1.0
  O  O31  1  0.467  0.811  0.234  1.0
  O  O32  1  0.533  0.189  0.766  1.0
  O  O33  1  0.253  0.851  0.709  1.0
  O  O34  1  0.498  0.538  0.773  1.0
  O  O35  1  0.845  0.487  0.193  1.0
  O  O36  1  0.606  0.808  0.594  1.0
  O  O37  1  0.848  0.172  0.748  1.0
  O  O38  1  0.426  0.790  0.900  1.0
  O  O39  1  0.851  0.750  0.257  1.0
  O  O40  1  0.847  0.481  0.866  1.0
  O  O41  1  0.052  0.589  0.567  1.0
  O  O42  1  0.842  0.970  0.621  1.0
  O  O43  1  0.752  0.889  0.929  1.0
[/CIF]
.