Materials Data on Tl3Cr by Materials Project

Abstract

CrTl3 is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded to twelve equivalent Tl atoms to form CrTl12 cuboctahedra that share corners with six equivalent CrTl12 cuboctahedra, corners with twelve equivalent TlTl8Cr4 cuboctahedra, edges with eighteen equivalent TlTl8Cr4 cuboctahedra, faces with eight equivalent CrTl12 cuboctahedra, and faces with twelve equivalent TlTl8Cr4 cuboctahedra. There are six shorter (3.32 Å) and six longer (3.35 Å) Cr–Tl bond lengths. Tl is bonded to four equivalent Cr and eight equivalent Tl atoms to form TlTl8Cr4 cuboctahedra that share corners with four equivalent CrTl12 cuboctahedra, corners with fourteen equivalent TlTl8Cr4 cuboctahedra, edges with six equivalent CrTl12 cuboctahedra, edges with twelve equivalent TlTl8Cr4 cuboctahedra, faces with four equivalent CrTl12 cuboctahedra, and faces with sixteen equivalent TlTl8Cr4 cuboctahedra. There are a spread of Tl–Tl bond distances ranging from 3.27–3.43 Å.