NaYSi is half-Heusler structured and crystallizes in the cubic F-43m space group. Na(1) is bonded in a 10-coordinate geometry to four equivalent Y(1) and six equivalent Si(1) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent Na(1) and four equivalent Si(1) atoms. Si(1) is bonded to six equivalent Na(1) and four equivalent Y(1) atoms to form a mixture of distorted corner and face-sharing SiNa6Y4 tetrahedra.
NaYSi is half-Heusler structured and crystallizes in the cubic F-43m space group. Na(1) is bonded in a 10-coordinate geometry to four equivalent Y(1) and six equivalent Si(1) atoms. All Na(1)-Y(1) bond lengths are 2.97 Å. All Na(1)-Si(1) bond lengths are 3.44 Å. Y(1) is bonded in a body-centered cubic geometry to four equivalent Na(1) and four equivalent Si(1) atoms. All Y(1)-Si(1) bond lengths are 2.97 Å. Si(1) is bonded to six equivalent Na(1) and four equivalent Y(1) atoms to form a mixture of distorted corner and face-sharing SiNa6Y4 tetrahedra.