Zr3Pd4 is delta Molybdenum Boride-like structured and crystallizes in the trigonal R-3 space group. Zr(1) is bonded in a 9-coordinate geometry to one Pd(2), one Pd(3), and seven equivalent Pd(1) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in a 6-coordinate geometry to six equivalent Zr(1) atoms. In the second Pd site, Pd(1) is bonded in a 7-coordinate geometry to seven equivalent Zr(1) atoms. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to six equivalent Zr(1) atoms.
Zr3Pd4 is delta Molybdenum Boride-like structured and crystallizes in the trigonal R-3 space group. Zr(1) is bonded in a 9-coordinate geometry to one Pd(2), one Pd(3), and seven equivalent Pd(1) atoms. The Zr(1)-Pd(2) bond length is 2.93 Å. The Zr(1)-Pd(3) bond length is 2.79 Å. There are a spread of Zr(1)-Pd(1) bond distances ranging from 2.71-3.07 Å. There are three inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in a 6-coordinate geometry to six equivalent Zr(1) atoms. In the second Pd site, Pd(1) is bonded in a 7-coordinate geometry to seven equivalent Zr(1) atoms. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to six equivalent Zr(1) atoms.