Results for “Co-Cu-S”

DOE OSTI2020

Materials Data on Co2CuS4 by Materials Project

CuCo2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Co3+ is bonded to six equivalent S2- atoms to form CoS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with six equivalent CoS6 octahedra. All Co–S bond lengths are 2.25 Å. Cu2+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent CoS6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Cu–S bond lengths are 2.26 Å. S2- is bonded to three equivalent Co3+ and one Cu2+ atom to form a mixture of distorted corner and edge-sharing SCo3Cu trigonal pyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Er2Co3Cu by Materials Project

Er2Co3Cu is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to nine equivalent Co and three equivalent Cu atoms. There are six shorter (2.94 Å) and three longer (3.02 Å) Er–Co bond lengths. All Er–Cu bond lengths are 2.95 Å. Co is bonded to six equivalent Er, four equivalent Co, and two equivalent Cu atoms to form CoEr6Co4Cu2 cuboctahedra that share corners with four equivalent CuEr6Co6 cuboctahedra, corners with fourteen equivalent CoEr6Co4Cu2 cuboctahedra, edges with six equivalent CoEr6Co4Cu2 cuboctahedra, faces with six equivalent CuEr6Co6 cuboctahedra, and faces with twelve equivalent CoEr6Co4Cu2 cuboctahedra. All Co–Co bond lengths are 2.51 Å. Both Co–Cu bond lengths are 2.54 Å. Cu is bonded to six equivalent Er and six equivalent Co atoms to form CuEr6Co6 cuboctahedra that share corners with six equivalent CuEr6Co6 cuboctahedra, corners with twelve equivalent CoEr6Co4Cu2 cuboctahedra, edges with six equivalent CuEr6Co6 cuboctahedra, and faces with eighteen equivalent CoEr6Co4Cu2 cuboctahedra.

36 MATERIALS SCIENCE↗