La3Ni13B2 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 18-coordinate geometry to four equivalent Ni(4), eight equivalent Ni(5), and six equivalent B(1) atoms. In the second La site, La(2) is bonded in a 18-coordinate geometry to two equivalent Ni(1), two equivalent Ni(4), four equivalent Ni(2), four equivalent Ni(5), and six equivalent Ni(3) atoms. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent La(2), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of corner, edge, and face-sharing NiLa4Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent La(2), two equivalent Ni(1), two equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of corner, edge, and face-sharing NiLa4Ni8 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to three equivalent La(2), one Ni(1), one Ni(4), two equivalent Ni(2), and two equivalent Ni(5) atoms. In the fourth Ni site, Ni(4) is bonded in a distorted L-shaped geometry to two equivalent La(1), two equivalent La(2), two equivalent Ni(3), and two equivalent B(1) atoms. In the fifth Ni site, Ni(5) is bonded in a distorted L-shaped geometry to two equivalent La(1), two equivalent La(2), two equivalent Ni(3), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent La(1), two equivalent Ni(4), and four equivalent Ni(5) atoms.
La3Ni13B2 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 18-coordinate geometry to four equivalent Ni(4), eight equivalent Ni(5), and six equivalent B(1) atoms. All La(1)-Ni(4) bond lengths are 2.93 Å. All La(1)-Ni(5) bond lengths are 2.92 Å. There are four shorter (2.92 Å) and two longer (2.93 Å) La(1)-B(1) bond lengths. In the second La site, La(2) is bonded in a 18-coordinate geometry to two equivalent Ni(1), two equivalent Ni(4), four equivalent Ni(2), four equivalent Ni(5), and six equivalent Ni(3) atoms. Both La(2)-Ni(1) bond lengths are 3.17 Å. Both La(2)-Ni(4) bond lengths are 3.35 Å. All La(2)-Ni(2) bond lengths are 3.17 Å. All La(2)-Ni(5) bond lengths are 3.34 Å. There are two shorter (2.92 Å) and four longer (2.93 Å) La(2)-Ni(3) bond lengths. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent La(2), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of corner, edge, and face-sharing NiLa4Ni8 cuboctahedra. All Ni(1)-Ni(2) bond lengths are 2.53 Å. All Ni(1)-Ni(3) bond lengths are 2.51 Å. In the second Ni site, Ni(2) is bonded to four equivalent La(2), two equivalent Ni(1), two equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of corner, edge, and face-sharing NiLa4Ni8 cuboctahedra. Both Ni(2)-Ni(2) bond lengths are 2.54 Å. All Ni(2)-Ni(3) bond lengths are 2.51 Å. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to three equivalent La(2), one Ni(1), one Ni(4), two equivalent Ni(2), and two equivalent Ni(5) atoms. The Ni(3)-Ni(4) bond length is 2.52 Å. Both Ni(3)-Ni(5) bond lengths are 2.52 Å. In the fourth Ni site, Ni(4) is bonded in a distorted L-shaped geometry to two equivalent La(1), two equivalent La(2), two equivalent Ni(3), and two equivalent B(1) atoms. Both Ni(4)-B(1) bond lengths are 2.06 Å. In the fifth Ni site, Ni(5) is bonded in a distorted L-shaped geometry to two equivalent La(1), two equivalent La(2), two equivalent Ni(3), and two equivalent B(1) atoms. Both Ni(5)-B(1) bond lengths are 2.07 Å. B(1) is bonded in a 6-coordinate geometry to three equivalent La(1), two equivalent Ni(4), and four equivalent Ni(5) atoms.