The compound described by Li4MgNi3O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Ni(5)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the sixth Li site, Li(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Mg(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with six equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fifth Ni site, Ni(5) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Li(5), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share corners with two equivalent O(2)Li3Ni3 octahedra, corners with four equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(3)Li3MgNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(6), one Ni(1), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share corners with two equivalent O(1)Li3Ni3 octahedra, corners with four equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(4)Li3MgNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(5), one Mg(1), one Ni(2), and one Ni(3) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(4)Li3MgNi2 octahedra, corners with four equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(6), one Mg(1), one Ni(4), and one Ni(5) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(3)Li3MgNi2 octahedra, corners with four equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(5), one Mg(1), one Ni(1), and one Ni(5) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(5)Li3MgNi2 octahedra, corners with four equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(6), one Mg(1), one Ni(1), and one Ni(2) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(6)Li3MgNi2 octahedra, corners with four equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Mg(1), one Ni(1), and one Ni(3) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(7)Li3MgNi2 octahedra, corners with four equivalent O(8)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(4), one Mg(1), one Ni(1), and one Ni(4) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(8)Li3MgNi2 octahedra, corners with four equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_Li4MgNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.774
_cell_length_b   5.809
_cell_length_c   8.282
_cell_angle_alpha   89.357
_cell_angle_beta   90.012
_cell_angle_gamma   90.008
_symmetry_Int_Tables_number   1
_cell_volume   277.784
_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  0.250  0.249  0.251  1.0
  Li  Li1  1  0.750  0.750  0.749  1.0
  Li  Li2  1  0.252  0.750  0.750  1.0
  Li  Li3  1  0.747  0.250  0.250  1.0
  Li  Li4  1  1.000  0.000  0.500  1.0
  Li  Li5  1  0.500  0.500  1.000  1.0
  Li  Li6  1  1.000  0.500  1.000  1.0
  Li  Li7  1  0.500  0.000  0.500  1.0
  Mg  Mg8  1  0.249  0.250  0.750  1.0
  Mg  Mg9  1  0.751  0.750  0.250  1.0
  Ni  Ni10  1  0.252  0.750  0.250  1.0
  Ni  Ni11  1  0.748  0.250  0.750  1.0
  Ni  Ni12  1  0.500  1.000  1.000  1.0
  Ni  Ni13  1  0.000  1.000  1.000  1.0
  Ni  Ni14  1  0.500  0.500  0.500  1.0
  Ni  Ni15  1  0.000  0.500  0.500  1.0
  O  O16  1  0.273  0.761  0.995  1.0
  O  O17  1  0.727  0.262  0.495  1.0
  O  O18  1  0.273  0.738  0.505  1.0
  O  O19  1  0.727  0.239  0.004  1.0
  O  O20  1  0.253  0.220  0.998  1.0
  O  O21  1  0.746  0.720  0.498  1.0
  O  O22  1  0.254  0.280  0.502  1.0
  O  O23  1  0.747  0.780  0.002  1.0
  O  O24  1  0.014  0.517  0.264  1.0
  O  O25  1  0.512  0.015  0.771  1.0
  O  O26  1  0.488  0.985  0.229  1.0
  O  O27  1  0.986  0.483  0.737  1.0
  O  O28  1  0.014  0.983  0.237  1.0
  O  O29  1  0.512  0.484  0.729  1.0
  O  O30  1  0.488  0.516  0.271  1.0
  O  O31  1  0.986  0.017  0.763  1.0
[/CIF]
.
The compound described by Li4MgNi3O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Ni(5)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the sixth Li site, Li(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Mg(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with six equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fifth Ni site, Ni(5) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Li(5), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share corners with two equivalent O(2)Li3Ni3 octahedra, corners with four equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(3)Li3MgNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(6), one Ni(1), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share corners with two equivalent O(1)Li3Ni3 octahedra, corners with four equivalent O(2)Li3Ni3 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(4)Li3MgNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(5), one Mg(1), one Ni(2), and one Ni(3) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(4)Li3MgNi2 octahedra, corners with four equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(6), one Mg(1), one Ni(4), and one Ni(5) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(3)Li3MgNi2 octahedra, corners with four equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, and edges with four equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(5), one Mg(1), one Ni(1), and one Ni(5) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(5)Li3MgNi2 octahedra, corners with four equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(6), one Mg(1), one Ni(1), and one Ni(2) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(6)Li3MgNi2 octahedra, corners with four equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(8)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Mg(1), one Ni(1), and one Ni(3) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(7)Li3MgNi2 octahedra, corners with four equivalent O(8)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(4), one Mg(1), one Ni(1), and one Ni(4) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(8)Li3MgNi2 octahedra, corners with four equivalent O(7)Li3MgNi2 octahedra, edges with two equivalent O(3)Li3MgNi2 octahedra, edges with two equivalent O(4)Li3MgNi2 octahedra, edges with two equivalent O(5)Li3MgNi2 octahedra, edges with two equivalent O(6)Li3MgNi2 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_Li4MgNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.774
_cell_length_b   5.809
_cell_length_c   8.282
_cell_angle_alpha   89.357
_cell_angle_beta   90.012
_cell_angle_gamma   90.008
_symmetry_Int_Tables_number   1
_cell_volume   277.784
_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  0.250  0.249  0.251  1.0
  Li  Li1  1  0.750  0.750  0.749  1.0
  Li  Li2  1  0.252  0.750  0.750  1.0
  Li  Li3  1  0.747  0.250  0.250  1.0
  Li  Li4  1  1.000  0.000  0.500  1.0
  Li  Li5  1  0.500  0.500  1.000  1.0
  Li  Li6  1  1.000  0.500  1.000  1.0
  Li  Li7  1  0.500  0.000  0.500  1.0
  Mg  Mg8  1  0.249  0.250  0.750  1.0
  Mg  Mg9  1  0.751  0.750  0.250  1.0
  Ni  Ni10  1  0.252  0.750  0.250  1.0
  Ni  Ni11  1  0.748  0.250  0.750  1.0
  Ni  Ni12  1  0.500  1.000  1.000  1.0
  Ni  Ni13  1  0.000  1.000  1.000  1.0
  Ni  Ni14  1  0.500  0.500  0.500  1.0
  Ni  Ni15  1  0.000  0.500  0.500  1.0
  O  O16  1  0.273  0.761  0.995  1.0
  O  O17  1  0.727  0.262  0.495  1.0
  O  O18  1  0.273  0.738  0.505  1.0
  O  O19  1  0.727  0.239  0.004  1.0
  O  O20  1  0.253  0.220  0.998  1.0
  O  O21  1  0.746  0.720  0.498  1.0
  O  O22  1  0.254  0.280  0.502  1.0
  O  O23  1  0.747  0.780  0.002  1.0
  O  O24  1  0.014  0.517  0.264  1.0
  O  O25  1  0.512  0.015  0.771  1.0
  O  O26  1  0.488  0.985  0.229  1.0
  O  O27  1  0.986  0.483  0.737  1.0
  O  O28  1  0.014  0.983  0.237  1.0
  O  O29  1  0.512  0.484  0.729  1.0
  O  O30  1  0.488  0.516  0.271  1.0
  O  O31  1  0.986  0.017  0.763  1.0
[/CIF]
.