Materials Data on Ir3W by Materials Project

Abstract

WIr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded to twelve equivalent Ir atoms to form WIr12 cuboctahedra that share corners with six equivalent WIr12 cuboctahedra, corners with twelve equivalent IrIr8W4 cuboctahedra, edges with eighteen equivalent IrIr8W4 cuboctahedra, faces with eight equivalent WIr12 cuboctahedra, and faces with twelve equivalent IrIr8W4 cuboctahedra. There are six shorter (2.74 Å) and six longer (2.78 Å) W–Ir bond lengths. Ir is bonded to four equivalent W and eight equivalent Ir atoms to form IrIr8W4 cuboctahedra that share corners with four equivalent WIr12 cuboctahedra, corners with fourteen equivalent IrIr8W4 cuboctahedra, edges with six equivalent WIr12 cuboctahedra, edges with twelve equivalent IrIr8W4 cuboctahedra, faces with four equivalent WIr12 cuboctahedra, and faces with sixteen equivalent IrIr8W4 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.74–2.78 Å.