Materials Data on U4Tc7Ge6 by Materials Project

Abstract

U4Tc7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. U is bonded to six equivalent Tc and six equivalent Ge atoms to form UTc6Ge6 cuboctahedra that share corners with twelve equivalent UTc6Ge6 cuboctahedra, corners with twelve equivalent TcU4Ge4 cuboctahedra, edges with six equivalent TcU4Ge4 cuboctahedra, faces with six equivalent UTc6Ge6 cuboctahedra, and faces with two equivalent TcGe6 octahedra. All U–Tc bond lengths are 2.95 Å. All U–Ge bond lengths are 2.99 Å. There are two inequivalent Tc sites. In the first Tc site, Tc is bonded to four equivalent U and four equivalent Ge atoms to form distorted TcU4Ge4 cuboctahedra that share corners with eight equivalent UTc6Ge6 cuboctahedra, corners with twelve equivalent TcU4Ge4 cuboctahedra, corners with four equivalent TcGe6 octahedra, edges with two equivalent TcU4Ge4 cuboctahedra, edges with four equivalent UTc6Ge6 cuboctahedra, and faces with four equivalent TcU4Ge4 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. All Tc–Ge bond lengths are 2.63 Å. In the second Tc site, Tc is bonded to six equivalent Ge atoms to form TcGe6 octahedra that share corners with twenty-four equivalent TcU4Ge4 cuboctahedra and faces with eight equivalent UTc6Ge6 cuboctahedra. All Tc–Ge bond lengths are 2.57 Å. Ge is bonded in a 9-coordinate geometry to four equivalent U and five Tc atoms.