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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cu3Ge by Materials Project

Cu3Ge is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to eight equivalent Cu and four equivalent Ge atoms to form CuCu8Ge4 cuboctahedra that share corners with eight equivalent GeCu12 cuboctahedra, corners with ten CuCu8Ge4 cuboctahedra, edges with eighteen CuCu8Ge4 cuboctahedra, faces with six equivalent GeCu12 cuboctahedra, and faces with fourteen CuCu8Ge4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.61–2.65 Å. There are two shorter (2.63 Å) and two longer (2.66 Å) Cu–Ge bond lengths. In the second Cu site, Cu is bonded to eight Cu and four equivalent Ge atoms to form CuCu8Ge4 cuboctahedra that share corners with four equivalent GeCu12 cuboctahedra, corners with fourteen CuCu8Ge4 cuboctahedra, edges with six equivalent GeCu12 cuboctahedra, edges with twelve CuCu8Ge4 cuboctahedra, faces with four equivalent GeCu12 cuboctahedra, and faces with sixteen CuCu8Ge4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.59–2.67 Å. There are three shorter (2.60 Å) and one longer (2.67 Å) Cu–Ge bond lengths. Ge is bonded to twelve Cu atoms to form GeCu12 cuboctahedra that share corners with two equivalent GeCu12 cuboctahedra, corners with sixteen CuCu8Ge4 cuboctahedra, edges with six equivalent GeCu12 cuboctahedra, edges with twelve equivalent CuCu8Ge4 cuboctahedra, faces with six equivalent GeCu12 cuboctahedra, and faces with fourteen CuCu8Ge4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuGe3 by Materials Project

Ge3Cu is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu is bonded in a 3-coordinate geometry to eleven Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.51–2.95 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to four equivalent Cu and six Ge atoms. There are three shorter (2.85 Å) and three longer (2.95 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a distorted trigonal planar geometry to three equivalent Cu and six equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu3Ge by Materials Project

Cu3Ge is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with six equivalent CuCu12 cuboctahedra, corners with twelve equivalent GeCu6Ge6 cuboctahedra, edges with eighteen CuCu12 cuboctahedra, faces with two equivalent GeCu6Ge6 cuboctahedra, and faces with eighteen CuCu12 cuboctahedra. There are six shorter (2.55 Å) and six longer (2.73 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded to nine Cu and three equivalent Ge atoms to form CuCu9Ge3 cuboctahedra that share corners with eighteen equivalent CuCu9Ge3 cuboctahedra, edges with six equivalent GeCu6Ge6 cuboctahedra, edges with twelve CuCu12 cuboctahedra, faces with six equivalent GeCu6Ge6 cuboctahedra, and faces with fourteen CuCu12 cuboctahedra. All Cu–Cu bond lengths are 2.73 Å. All Cu–Ge bond lengths are 2.65 Å. Ge is bonded to six equivalent Cu and six equivalent Ge atoms to form GeCu6Ge6 cuboctahedra that share corners with six equivalent GeCu6Ge6 cuboctahedra, corners with twelve equivalent CuCu12 cuboctahedra, edges with six equivalent GeCu6Ge6 cuboctahedra, edges with twelve equivalent CuCu9Ge3 cuboctahedra, faces with six equivalent GeCu6Ge6 cuboctahedra, and faces with fourteen CuCu12 cuboctahedra. All Ge–Ge bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuGe3 by Materials Project

Ge3Cu is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu is bonded to twelve equivalent Ge atoms to form CuGe12 cuboctahedra that share corners with six equivalent CuGe12 cuboctahedra, corners with twelve equivalent GeCu4Ge8 cuboctahedra, edges with eighteen equivalent GeCu4Ge8 cuboctahedra, faces with eight equivalent CuGe12 cuboctahedra, and faces with twelve equivalent GeCu4Ge8 cuboctahedra. There are six shorter (2.85 Å) and six longer (2.92 Å) Cu–Ge bond lengths. Ge is bonded to four equivalent Cu and eight equivalent Ge atoms to form distorted GeCu4Ge8 cuboctahedra that share corners with four equivalent CuGe12 cuboctahedra, corners with fourteen equivalent GeCu4Ge8 cuboctahedra, edges with six equivalent CuGe12 cuboctahedra, edges with twelve equivalent GeCu4Ge8 cuboctahedra, faces with four equivalent CuGe12 cuboctahedra, and faces with sixteen equivalent GeCu4Ge8 cuboctahedra. There are a spread of Ge–Ge bond distances ranging from 2.80–3.03 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu5Ge2 by Materials Project

Cu5Ge2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Cu sites. In the first Cu site, Cu is bonded in a 11-coordinate geometry to five Cu and six Ge atoms. There are a spread of Cu–Cu bond distances ranging from 2.44–2.58 Å. There are three shorter (2.78 Å) and three longer (2.85 Å) Cu–Ge bond lengths. In the second Cu site, Cu is bonded in a 10-coordinate geometry to seven Cu and three equivalent Ge atoms. There are a spread of Cu–Cu bond distances ranging from 2.44–2.58 Å. All Cu–Ge bond lengths are 2.84 Å. In the third Cu site, Cu is bonded in a 8-coordinate geometry to four Cu and four Ge atoms. There are one shorter (2.56 Å) and three longer (2.57 Å) Cu–Ge bond lengths. In the fourth Cu site, Cu is bonded in a 4-coordinate geometry to four Cu and four Ge atoms. There are three shorter (2.45 Å) and one longer (2.46 Å) Cu–Ge bond lengths. In the fifth Cu site, Cu is bonded in a distorted body-centered cubic geometry to four Cu and four Ge atoms. There are one shorter (2.56 Å) and three longer (2.57 Å) Cu–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 11-coordinate geometry to eleven Cu atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu3Ge by Materials Project

Cu3Ge is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Cu sites. In the first Cu site, Cu is bonded to eight equivalent Cu and four equivalent Ge atoms to form CuCu8Ge4 cuboctahedra that share corners with four equivalent GeCu12 cuboctahedra, corners with fourteen CuCu8Ge4 cuboctahedra, edges with six equivalent GeCu12 cuboctahedra, edges with twelve equivalent CuCu8Ge4 cuboctahedra, faces with four equivalent GeCu12 cuboctahedra, and faces with sixteen CuCu8Ge4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.59–2.68 Å. There are two shorter (2.61 Å) and two longer (2.65 Å) Cu–Ge bond lengths. In the second Cu site, Cu is bonded to eight Cu and four equivalent Ge atoms to form CuCu8Ge4 cuboctahedra that share corners with four equivalent GeCu12 cuboctahedra, corners with fourteen CuCu8Ge4 cuboctahedra, edges with six equivalent GeCu12 cuboctahedra, edges with twelve CuCu8Ge4 cuboctahedra, faces with four equivalent GeCu12 cuboctahedra, and faces with sixteen CuCu8Ge4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.59–2.68 Å. There are two shorter (2.61 Å) and two longer (2.65 Å) Cu–Ge bond lengths. In the third Cu site, Cu is bonded to eight equivalent Cu and four equivalent Ge atoms to form CuCu8Ge4 cuboctahedra that share corners with four equivalent GeCu12 cuboctahedra, corners with fourteen CuCu8Ge4 cuboctahedra, edges with six equivalent GeCu12 cuboctahedra, edges with twelve equivalent CuCu8Ge4 cuboctahedra, faces with four equivalent GeCu12 cuboctahedra, and faces with sixteen CuCu8Ge4 cuboctahedra. There are two shorter (2.61 Å) and two longer (2.65 Å) Cu–Ge bond lengths. Ge is bonded to twelve Cu atoms to form GeCu12 cuboctahedra that share corners with six equivalent GeCu12 cuboctahedra, corners with twelve CuCu8Ge4 cuboctahedra, edges with eighteen CuCu8Ge4 cuboctahedra, faces with eight equivalent GeCu12 cuboctahedra, and faces with twelve CuCu8Ge4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu5Ge2 by Materials Project

Cu5Ge2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to six Cu and four equivalent Ge atoms. There are three shorter (2.54 Å) and three longer (2.90 Å) Cu–Cu bond lengths. There are three shorter (2.52 Å) and one longer (2.58 Å) Cu–Ge bond lengths. In the second Cu site, Cu is bonded in a 4-coordinate geometry to seven Cu and four equivalent Ge atoms. There are one shorter (2.53 Å) and three longer (2.88 Å) Cu–Cu bond lengths. There are one shorter (2.44 Å) and three longer (2.52 Å) Cu–Ge bond lengths. In the third Cu site, Cu is bonded in a 8-coordinate geometry to eight Cu and six equivalent Ge atoms. All Cu–Ge bond lengths are 2.93 Å. Ge is bonded in a distorted body-centered cubic geometry to eleven Cu atoms.

36 MATERIALS SCIENCE↗