The material described by Li6MgNi7O16 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the third Li site, Li(3) is bonded to one O(5), one O(7), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(2)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 7-13°. In the third Ni site, Ni(3) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Mg(1), and two equivalent Ni(1) atoms to form OLi3MgNi2 octahedra that share  a cornercorner with one O(1)Li3MgNi2 octahedra,  a cornercorner with one O(2)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with four equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(5)Li2Ni3 square pyramid, edges with two equivalent O(4)Li2Ni3 square pyramids, and edges with three equivalent O(3)Li2MgNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mg(1), one Ni(1), and one Ni(2) atom to form OLi3MgNi2 octahedra that share  a cornercorner with one O(1)Li3MgNi2 octahedra,  a cornercorner with one O(2)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li3MgNi2 octahedra, edges with four equivalent O(1)Li3MgNi2 octahedra,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, edges with two equivalent O(4)Li2Ni3 square pyramids, and edges with three equivalent O(3)Li2MgNi2 square pyramids. 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(2), one Mg(1), one Ni(1), and one Ni(2) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(1)Li3MgNi2 octahedra,  a cornercorner with one O(2)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with two equivalent O(4)Li2Ni3 square pyramids, corners with two equivalent O(7)Li2Ni3 square pyramids, edges with three equivalent O(1)Li3MgNi2 octahedra, edges with three equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(4)Li2Ni3 square pyramid, and  an edgeedge with one O(5)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li3MgNi2 octahedra,  a cornercorner with one O(2)Li3MgNi2 octahedra,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(3)Li2MgNi2 square pyramids, corners with two equivalent O(5)Li2Ni3 square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with two equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(3)Li2MgNi2 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 4-10°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li3MgNi2 octahedra,  a cornercorner with one O(2)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid, corners with two equivalent O(4)Li2Ni3 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(1)Li3MgNi2 octahedra,  an edgeedge with one O(2)Li3MgNi2 octahedra,  an edgeedge with one O(3)Li2MgNi2 square pyramid,  an edgeedge with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, and edges with two equivalent O(7)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 6-11°. In the sixth O site, O(6) is bonded to two equivalent Li(3), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(2)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids, corners with two equivalent O(7)Li2Ni3 square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, edges with two equivalent O(7)Li2Ni3 square pyramids, and edges with three equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 8°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li3MgNi2 octahedra,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(3)Li2MgNi2 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(2)Li3MgNi2 octahedra,  an edgeedge with one O(4)Li2Ni3 square pyramid, edges with two equivalent O(5)Li2Ni3 square pyramids, edges with two equivalent O(6)Li2Ni3 square pyramids, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the eighth O site, O(8) is bonded to two equivalent Li(3), one Ni(4), and two equivalent Ni(3) atoms to form a mixture of edge and corner-sharing OLi2Ni3 square pyramids. is represented by the CIF file [CIF]
data_Li6MgNi7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.914
_cell_length_b   5.081
_cell_length_c   11.225
_cell_angle_alpha   80.280
_cell_angle_beta   85.518
_cell_angle_gamma   79.648
_symmetry_Int_Tables_number   1
_cell_volume   271.391
_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  0.252  0.077  0.929  1.0
  Li  Li1  1  0.748  0.923  0.071  1.0
  Li  Li2  1  0.261  0.817  0.195  1.0
  Li  Li3  1  0.253  0.560  0.440  1.0
  Li  Li4  1  0.747  0.440  0.560  1.0
  Li  Li5  1  0.739  0.183  0.805  1.0
  Mg  Mg6  1  0.500  0.500  0.000  1.0
  Ni  Ni7  1  0.993  0.622  0.876  1.0
  Ni  Ni8  1  0.007  0.378  0.124  1.0
  Ni  Ni9  1  0.509  0.256  0.249  1.0
  Ni  Ni10  1  0.001  0.133  0.375  1.0
  Ni  Ni11  1  0.500  0.000  0.500  1.0
  Ni  Ni12  1  0.999  0.867  0.625  1.0
  Ni  Ni13  1  0.491  0.744  0.751  1.0
  O  O14  1  0.893  0.307  0.975  1.0
  O  O15  1  0.643  0.835  0.904  1.0
  O  O16  1  0.644  0.561  0.157  1.0
  O  O17  1  0.357  0.165  0.096  1.0
  O  O18  1  0.107  0.693  0.025  1.0
  O  O19  1  0.883  0.077  0.222  1.0
  O  O20  1  0.150  0.457  0.263  1.0
  O  O21  1  0.635  0.304  0.415  1.0
  O  O22  1  0.370  0.951  0.350  1.0
  O  O23  1  0.862  0.798  0.483  1.0
  O  O24  1  0.138  0.202  0.517  1.0
  O  O25  1  0.850  0.543  0.737  1.0
  O  O26  1  0.630  0.049  0.650  1.0
  O  O27  1  0.365  0.696  0.585  1.0
  O  O28  1  0.356  0.439  0.843  1.0
  O  O29  1  0.117  0.923  0.778  1.0
[/CIF]
.
The material described by Li6MgNi7O16 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the third Li site, Li(3) is bonded to one O(5), one O(7), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(2)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 7-13°. In the third Ni site, Ni(3) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Mg(1), and two equivalent Ni(1) atoms to form OLi3MgNi2 octahedra that share  a cornercorner with one O(1)Li3MgNi2 octahedra,  a cornercorner with one O(2)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with four equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(5)Li2Ni3 square pyramid, edges with two equivalent O(4)Li2Ni3 square pyramids, and edges with three equivalent O(3)Li2MgNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mg(1), one Ni(1), and one Ni(2) atom to form OLi3MgNi2 octahedra that share  a cornercorner with one O(1)Li3MgNi2 octahedra,  a cornercorner with one O(2)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li3MgNi2 octahedra, edges with four equivalent O(1)Li3MgNi2 octahedra,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, edges with two equivalent O(4)Li2Ni3 square pyramids, and edges with three equivalent O(3)Li2MgNi2 square pyramids. 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(2), one Mg(1), one Ni(1), and one Ni(2) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(1)Li3MgNi2 octahedra,  a cornercorner with one O(2)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with two equivalent O(4)Li2Ni3 square pyramids, corners with two equivalent O(7)Li2Ni3 square pyramids, edges with three equivalent O(1)Li3MgNi2 octahedra, edges with three equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(4)Li2Ni3 square pyramid, and  an edgeedge with one O(5)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li3MgNi2 octahedra,  a cornercorner with one O(2)Li3MgNi2 octahedra,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(3)Li2MgNi2 square pyramids, corners with two equivalent O(5)Li2Ni3 square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with two equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(3)Li2MgNi2 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 4-10°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li3MgNi2 octahedra,  a cornercorner with one O(2)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid, corners with two equivalent O(4)Li2Ni3 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(1)Li3MgNi2 octahedra,  an edgeedge with one O(2)Li3MgNi2 octahedra,  an edgeedge with one O(3)Li2MgNi2 square pyramid,  an edgeedge with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, and edges with two equivalent O(7)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 6-11°. In the sixth O site, O(6) is bonded to two equivalent Li(3), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(2)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids, corners with two equivalent O(7)Li2Ni3 square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, edges with two equivalent O(7)Li2Ni3 square pyramids, and edges with three equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 8°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li3MgNi2 octahedra,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(3)Li2MgNi2 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids, corners with two equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(2)Li3MgNi2 octahedra,  an edgeedge with one O(4)Li2Ni3 square pyramid, edges with two equivalent O(5)Li2Ni3 square pyramids, edges with two equivalent O(6)Li2Ni3 square pyramids, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the eighth O site, O(8) is bonded to two equivalent Li(3), one Ni(4), and two equivalent Ni(3) atoms to form a mixture of edge and corner-sharing OLi2Ni3 square pyramids. is represented by the CIF file [CIF]
data_Li6MgNi7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.914
_cell_length_b   5.081
_cell_length_c   11.225
_cell_angle_alpha   80.280
_cell_angle_beta   85.518
_cell_angle_gamma   79.648
_symmetry_Int_Tables_number   1
_cell_volume   271.391
_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  0.252  0.077  0.929  1.0
  Li  Li1  1  0.748  0.923  0.071  1.0
  Li  Li2  1  0.261  0.817  0.195  1.0
  Li  Li3  1  0.253  0.560  0.440  1.0
  Li  Li4  1  0.747  0.440  0.560  1.0
  Li  Li5  1  0.739  0.183  0.805  1.0
  Mg  Mg6  1  0.500  0.500  0.000  1.0
  Ni  Ni7  1  0.993  0.622  0.876  1.0
  Ni  Ni8  1  0.007  0.378  0.124  1.0
  Ni  Ni9  1  0.509  0.256  0.249  1.0
  Ni  Ni10  1  0.001  0.133  0.375  1.0
  Ni  Ni11  1  0.500  0.000  0.500  1.0
  Ni  Ni12  1  0.999  0.867  0.625  1.0
  Ni  Ni13  1  0.491  0.744  0.751  1.0
  O  O14  1  0.893  0.307  0.975  1.0
  O  O15  1  0.643  0.835  0.904  1.0
  O  O16  1  0.644  0.561  0.157  1.0
  O  O17  1  0.357  0.165  0.096  1.0
  O  O18  1  0.107  0.693  0.025  1.0
  O  O19  1  0.883  0.077  0.222  1.0
  O  O20  1  0.150  0.457  0.263  1.0
  O  O21  1  0.635  0.304  0.415  1.0
  O  O22  1  0.370  0.951  0.350  1.0
  O  O23  1  0.862  0.798  0.483  1.0
  O  O24  1  0.138  0.202  0.517  1.0
  O  O25  1  0.850  0.543  0.737  1.0
  O  O26  1  0.630  0.049  0.650  1.0
  O  O27  1  0.365  0.696  0.585  1.0
  O  O28  1  0.356  0.439  0.843  1.0
  O  O29  1  0.117  0.923  0.778  1.0
[/CIF]
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