LaCoSb3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 11-coordinate geometry to two equivalent Co(1), one Sb(2), two equivalent Sb(3), two equivalent Sb(5), and four equivalent Sb(4) atoms. In the second La site, La(2) is bonded in a 11-coordinate geometry to two equivalent Co(1), one Sb(1), two equivalent Sb(3), two equivalent Sb(5), and four equivalent Sb(4) atoms. Co(1) is bonded in a 6-coordinate geometry to one La(1), one La(2), one Sb(3), one Sb(5), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one La(2) and four equivalent Co(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one La(1), four equivalent Co(1), and one Sb(5) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Co(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), and four equivalent Sb(4) atoms. In the fifth Sb site, Sb(5) is bonded in a 7-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent Co(1), and one Sb(2) atom.
LaCoSb3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 11-coordinate geometry to two equivalent Co(1), one Sb(2), two equivalent Sb(3), two equivalent Sb(5), and four equivalent Sb(4) atoms. Both La(1)-Co(1) bond lengths are 3.36 Å. The La(1)-Sb(2) bond length is 3.30 Å. Both La(1)-Sb(3) bond lengths are 3.26 Å. There is one shorter (3.32 Å) and one longer (3.37 Å) La(1)-Sb(5) bond length. There are two shorter (3.37 Å) and two longer (3.39 Å) La(1)-Sb(4) bond lengths. In the second La site, La(2) is bonded in a 11-coordinate geometry to two equivalent Co(1), one Sb(1), two equivalent Sb(3), two equivalent Sb(5), and four equivalent Sb(4) atoms. Both La(2)-Co(1) bond lengths are 3.60 Å. The La(2)-Sb(1) bond length is 3.54 Å. Both La(2)-Sb(3) bond lengths are 3.30 Å. Both La(2)-Sb(5) bond lengths are 3.27 Å. There are two shorter (3.39 Å) and two longer (3.42 Å) La(2)-Sb(4) bond lengths. Co(1) is bonded in a 6-coordinate geometry to one La(1), one La(2), one Sb(3), one Sb(5), two equivalent Sb(1), and two equivalent Sb(2) atoms. The Co(1)-Sb(3) bond length is 2.62 Å. The Co(1)-Sb(5) bond length is 2.63 Å. There is one shorter (2.61 Å) and one longer (2.66 Å) Co(1)-Sb(1) bond length. There is one shorter (2.59 Å) and one longer (2.62 Å) Co(1)-Sb(2) bond length. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one La(2) and four equivalent Co(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one La(1), four equivalent Co(1), and one Sb(5) atom. The Sb(2)-Sb(5) bond length is 3.11 Å. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Co(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), and four equivalent Sb(4) atoms. There are a spread of Sb(4)-Sb(4) bond distances ranging from 3.03-3.12 Å. In the fifth Sb site, Sb(5) is bonded in a 7-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent Co(1), and one Sb(2) atom.