CaLiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(1) and four equivalent Sb(1) atoms. Ca(1) is bonded in a distorted q6 geometry to four equivalent Li(1) and six equivalent Sb(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to four equivalent Li(1) and six equivalent Ca(1) atoms.
CaLiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(1) and four equivalent Sb(1) atoms. All Li(1)-Ca(1) bond lengths are 2.90 Å. All Li(1)-Sb(1) bond lengths are 2.90 Å. Ca(1) is bonded in a distorted q6 geometry to four equivalent Li(1) and six equivalent Sb(1) atoms. All Ca(1)-Sb(1) bond lengths are 3.35 Å. Sb(1) is bonded in a 10-coordinate geometry to four equivalent Li(1) and six equivalent Ca(1) atoms.