The material described by Li4Mn3Ni3(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(20), one O(24), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(15), one O(17), one O(21), and one O(5) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(15), one O(19), one O(2), and one O(21) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(17), one O(18), one O(19), and one O(3) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  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,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Mn(2)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  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,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Ni(1)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(1)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. There are six 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(6) 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(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) 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(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-50°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) 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(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-52°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) 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(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), 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(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-48°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) 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(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Ni(3), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(3), one Ni(3), and one P(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(4), one Ni(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Ni(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Li(2), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(3), one Ni(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Ni(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Ni(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Ni(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Mn(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 Ni(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Mn(1), one Ni(2), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Mn(3), one Ni(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Mn(3), one Ni(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Mn(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Mn(3), one Ni(3), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), one Mn(2), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(5) atom. is represented by the CIF file [CIF]
data_Li4Mn3Ni3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.458
_cell_length_b   8.550
_cell_length_c   8.559
_cell_angle_alpha   62.355
_cell_angle_beta   62.746
_cell_angle_gamma   62.723
_symmetry_Int_Tables_number   1
_cell_volume   463.052
_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  0.251  0.646  0.851  1.0
  Li  Li1  1  0.726  0.354  0.146  1.0
  Li  Li2  1  0.356  0.144  0.726  1.0
  Li  Li3  1  0.145  0.723  0.355  1.0
  Mn  Mn4  1  0.983  0.001  0.997  1.0
  Mn  Mn5  1  0.146  0.147  0.152  1.0
  Mn  Mn6  1  0.512  0.499  0.495  1.0
  Ni  Ni7  1  0.643  0.647  0.644  1.0
  Ni  Ni8  1  0.857  0.854  0.852  1.0
  Ni  Ni9  1  0.356  0.350  0.354  1.0
  P  P10  1  0.953  0.549  0.255  1.0
  P  P11  1  0.549  0.252  0.954  1.0
  P  P12  1  0.253  0.953  0.550  1.0
  P  P13  1  0.755  0.044  0.456  1.0
  P  P14  1  0.448  0.753  0.043  1.0
  P  P15  1  0.052  0.456  0.756  1.0
  O  O16  1  0.526  0.315  0.107  1.0
  O  O17  1  0.320  0.104  0.524  1.0
  O  O18  1  0.106  0.518  0.324  1.0
  O  O19  1  0.953  0.731  0.086  1.0
  O  O20  1  0.989  0.384  0.194  1.0
  O  O21  1  0.759  0.566  0.404  1.0
  O  O22  1  0.738  0.096  0.929  1.0
  O  O23  1  0.541  0.416  0.769  1.0
  O  O24  1  0.822  0.011  0.606  1.0
  O  O25  1  0.401  0.755  0.567  1.0
  O  O26  1  0.913  0.070  0.253  1.0
  O  O27  1  0.611  0.813  0.994  1.0
  O  O28  1  0.383  0.186  0.999  1.0
  O  O29  1  0.099  0.929  0.744  1.0
  O  O30  1  0.602  0.242  0.428  1.0
  O  O31  1  0.190  0.990  0.387  1.0
  O  O32  1  0.429  0.599  0.240  1.0
  O  O33  1  0.248  0.913  0.073  1.0
  O  O34  1  0.247  0.423  0.601  1.0
  O  O35  1  0.040  0.604  0.816  1.0
  O  O36  1  0.067  0.256  0.916  1.0
  O  O37  1  0.885  0.496  0.706  1.0
  O  O38  1  0.698  0.889  0.478  1.0
  O  O39  1  0.452  0.699  0.894  1.0
[/CIF]
.
The material described by Li4Mn3Ni3(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(20), one O(24), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(15), one O(17), one O(21), and one O(5) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(15), one O(19), one O(2), and one O(21) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(17), one O(18), one O(19), and one O(3) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  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,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Mn(2)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  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,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Ni(1)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(1)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. There are six 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(6) 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(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) 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(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-50°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) 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(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-52°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) 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(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), 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(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-48°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) 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(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Ni(3), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(3), one Ni(3), and one P(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(4), one Ni(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Ni(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Li(2), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(3), one Ni(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Ni(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Ni(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Ni(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Mn(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 Ni(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Mn(1), one Ni(2), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Mn(3), one Ni(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Mn(3), one Ni(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Mn(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Mn(3), one Ni(3), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), one Mn(2), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(5) atom. is represented by the CIF file [CIF]
data_Li4Mn3Ni3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.458
_cell_length_b   8.550
_cell_length_c   8.559
_cell_angle_alpha   62.355
_cell_angle_beta   62.746
_cell_angle_gamma   62.723
_symmetry_Int_Tables_number   1
_cell_volume   463.052
_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  0.251  0.646  0.851  1.0
  Li  Li1  1  0.726  0.354  0.146  1.0
  Li  Li2  1  0.356  0.144  0.726  1.0
  Li  Li3  1  0.145  0.723  0.355  1.0
  Mn  Mn4  1  0.983  0.001  0.997  1.0
  Mn  Mn5  1  0.146  0.147  0.152  1.0
  Mn  Mn6  1  0.512  0.499  0.495  1.0
  Ni  Ni7  1  0.643  0.647  0.644  1.0
  Ni  Ni8  1  0.857  0.854  0.852  1.0
  Ni  Ni9  1  0.356  0.350  0.354  1.0
  P  P10  1  0.953  0.549  0.255  1.0
  P  P11  1  0.549  0.252  0.954  1.0
  P  P12  1  0.253  0.953  0.550  1.0
  P  P13  1  0.755  0.044  0.456  1.0
  P  P14  1  0.448  0.753  0.043  1.0
  P  P15  1  0.052  0.456  0.756  1.0
  O  O16  1  0.526  0.315  0.107  1.0
  O  O17  1  0.320  0.104  0.524  1.0
  O  O18  1  0.106  0.518  0.324  1.0
  O  O19  1  0.953  0.731  0.086  1.0
  O  O20  1  0.989  0.384  0.194  1.0
  O  O21  1  0.759  0.566  0.404  1.0
  O  O22  1  0.738  0.096  0.929  1.0
  O  O23  1  0.541  0.416  0.769  1.0
  O  O24  1  0.822  0.011  0.606  1.0
  O  O25  1  0.401  0.755  0.567  1.0
  O  O26  1  0.913  0.070  0.253  1.0
  O  O27  1  0.611  0.813  0.994  1.0
  O  O28  1  0.383  0.186  0.999  1.0
  O  O29  1  0.099  0.929  0.744  1.0
  O  O30  1  0.602  0.242  0.428  1.0
  O  O31  1  0.190  0.990  0.387  1.0
  O  O32  1  0.429  0.599  0.240  1.0
  O  O33  1  0.248  0.913  0.073  1.0
  O  O34  1  0.247  0.423  0.601  1.0
  O  O35  1  0.040  0.604  0.816  1.0
  O  O36  1  0.067  0.256  0.916  1.0
  O  O37  1  0.885  0.496  0.706  1.0
  O  O38  1  0.698  0.889  0.478  1.0
  O  O39  1  0.452  0.699  0.894  1.0
[/CIF]
.