LaNi5In crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted hexagonal planar geometry to three equivalent Ni(2), three equivalent Ni(3), twelve equivalent Ni(4), and two equivalent In(1) atoms. In the second La site, La(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(4), and six equivalent In(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to three equivalent La(2), three equivalent Ni(4), and four equivalent In(1) atoms. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to three equivalent La(1), three equivalent Ni(3), and six equivalent Ni(4) atoms. In the third Ni site, Ni(3) is bonded in a 12-coordinate geometry to three equivalent La(1), three equivalent Ni(2), and six equivalent Ni(4) atoms. In the fourth Ni site, Ni(4) is bonded to one La(2), two equivalent La(1), one Ni(1), one Ni(2), one Ni(3), four equivalent Ni(4), and two equivalent In(1) atoms to form a mixture of edge, face, and corner-sharing NiLa3In2Ni7 cuboctahedra. In(1) is bonded in a 14-coordinate geometry to one La(1), three equivalent La(2), four equivalent Ni(1), and six equivalent Ni(4) atoms.
LaNi5In crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted hexagonal planar geometry to three equivalent Ni(2), three equivalent Ni(3), twelve equivalent Ni(4), and two equivalent In(1) atoms. All La(1)-Ni(2) bond lengths are 2.86 Å. All La(1)-Ni(3) bond lengths are 2.86 Å. All La(1)-Ni(4) bond lengths are 3.20 Å. Both La(1)-In(1) bond lengths are 3.28 Å. In the second La site, La(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(4), and six equivalent In(1) atoms. All La(2)-Ni(1) bond lengths are 3.01 Å. All La(2)-Ni(4) bond lengths are 3.26 Å. All La(2)-In(1) bond lengths are 3.32 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to three equivalent La(2), three equivalent Ni(4), and four equivalent In(1) atoms. All Ni(1)-Ni(4) bond lengths are 2.46 Å. There is one shorter (2.63 Å) and three longer (2.95 Å) Ni(1)-In(1) bond lengths. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to three equivalent La(1), three equivalent Ni(3), and six equivalent Ni(4) atoms. All Ni(2)-Ni(3) bond lengths are 2.86 Å. All Ni(2)-Ni(4) bond lengths are 2.48 Å. In the third Ni site, Ni(3) is bonded in a 12-coordinate geometry to three equivalent La(1), three equivalent Ni(2), and six equivalent Ni(4) atoms. All Ni(3)-Ni(4) bond lengths are 2.49 Å. In the fourth Ni site, Ni(4) is bonded to one La(2), two equivalent La(1), one Ni(1), one Ni(2), one Ni(3), four equivalent Ni(4), and two equivalent In(1) atoms to form a mixture of edge, face, and corner-sharing NiLa3In2Ni7 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.49 Å) Ni(4)-Ni(4) bond lengths. Both Ni(4)-In(1) bond lengths are 2.77 Å. In(1) is bonded in a 14-coordinate geometry to one La(1), three equivalent La(2), four equivalent Ni(1), and six equivalent Ni(4) atoms.