Li(NiGe)6 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent Ni(1), two equivalent Ge(3), and six equivalent Ge(1) atoms to form distorted LiNi6Ge8 hexagonal bipyramids that share corners with six equivalent Li(2)Ni12Ge8 hexagonal bipyramids and edges with three equivalent Li(1)Ni6Ge8 hexagonal bipyramids. In the second Li site, Li(2) is bonded to twelve equivalent Ni(1), two equivalent Ge(4), and six equivalent Ge(2) atoms to form corner-sharing LiNi12Ge8 hexagonal bipyramids. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(2), two equivalent Ni(1), two equivalent Ni(2), one Ge(3), one Ge(4), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to four equivalent Ni(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Li(1), three equivalent Ni(1), three equivalent Ni(2), and one Ge(3) atom. In the second Ge site, Ge(4) is bonded in a 8-coordinate geometry to one Li(2), six equivalent Ni(1), and one Ge(4) atom. In the third Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the fourth Ge site, Ge(2) is bonded in a 7-coordinate geometry to one Li(2), two equivalent Ni(2), and four equivalent Ni(1) atoms.
Li(NiGe)6 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent Ni(1), two equivalent Ge(3), and six equivalent Ge(1) atoms to form distorted LiNi6Ge8 hexagonal bipyramids that share corners with six equivalent Li(2)Ni12Ge8 hexagonal bipyramids and edges with three equivalent Li(1)Ni6Ge8 hexagonal bipyramids. All Li(1)-Ni(1) bond lengths are 3.14 Å. Both Li(1)-Ge(3) bond lengths are 2.62 Å. All Li(1)-Ge(1) bond lengths are 2.85 Å. In the second Li site, Li(2) is bonded to twelve equivalent Ni(1), two equivalent Ge(4), and six equivalent Ge(2) atoms to form corner-sharing LiNi12Ge8 hexagonal bipyramids. All Li(2)-Ni(1) bond lengths are 3.19 Å. Both Li(2)-Ge(4) bond lengths are 2.62 Å. All Li(2)-Ge(2) bond lengths are 2.81 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(2), two equivalent Ni(1), two equivalent Ni(2), one Ge(3), one Ge(4), two equivalent Ge(1), and two equivalent Ge(2) atoms. Both Ni(1)-Ni(1) bond lengths are 2.51 Å. Both Ni(1)-Ni(2) bond lengths are 2.50 Å. The Ni(1)-Ge(3) bond length is 2.60 Å. The Ni(1)-Ge(4) bond length is 2.59 Å. Both Ni(1)-Ge(1) bond lengths are 2.41 Å. Both Ni(1)-Ge(2) bond lengths are 2.42 Å. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to four equivalent Ni(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. Both Ni(2)-Ge(1) bond lengths are 2.44 Å. Both Ni(2)-Ge(2) bond lengths are 2.40 Å. Both Ni(2)-Ge(3) bond lengths are 2.57 Å. There are four inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Li(1), three equivalent Ni(1), three equivalent Ni(2), and one Ge(3) atom. The Ge(3)-Ge(3) bond length is 2.51 Å. In the second Ge site, Ge(4) is bonded in a 8-coordinate geometry to one Li(2), six equivalent Ni(1), and one Ge(4) atom. The Ge(4)-Ge(4) bond length is 2.49 Å. In the third Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the fourth Ge site, Ge(2) is bonded in a 7-coordinate geometry to one Li(2), two equivalent Ni(2), and four equivalent Ni(1) atoms.