NaCaSb is half-Heusler structured and crystallizes in the cubic F-43m space group. Na(1) is bonded in a 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 Na(1) and six equivalent Sb(1) atoms. Sb(1) is bonded to four equivalent Na(1) and six equivalent Ca(1) atoms to form a mixture of distorted face and corner-sharing SbNa4Ca6 tetrahedra.
NaCaSb is half-Heusler structured and crystallizes in the cubic F-43m space group. Na(1) is bonded in a body-centered cubic geometry to four equivalent Ca(1) and four equivalent Sb(1) atoms. All Na(1)-Ca(1) bond lengths are 3.08 Å. All Na(1)-Sb(1) bond lengths are 3.08 Å. Ca(1) is bonded in a distorted q6 geometry to four equivalent Na(1) and six equivalent Sb(1) atoms. All Ca(1)-Sb(1) bond lengths are 3.55 Å. Sb(1) is bonded to four equivalent Na(1) and six equivalent Ca(1) atoms to form a mixture of distorted face and corner-sharing SbNa4Ca6 tetrahedra.