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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on U3Co2Ge7 by Materials Project

U3Co2Ge7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 10-coordinate geometry to four equivalent Co and ten Ge atoms. All U–Co bond lengths are 3.28 Å. There are a spread of U–Ge bond distances ranging from 3.07–3.23 Å. In the second U site, U is bonded to twelve Ge atoms to form a mixture of distorted corner and face-sharing UGe12 cuboctahedra. There are a spread of U–Ge bond distances ranging from 2.94–3.03 Å. Co is bonded in a 5-coordinate geometry to four equivalent U and five Ge atoms. All Co–Ge bond lengths are 2.31 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent U, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a distorted square co-planar geometry to four equivalent U atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to four U and two equivalent Co atoms. In the fourth Ge site, Ge is bonded in a 12-coordinate geometry to four U and two equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U3Co4Ge7 by Materials Project

U3Co4Ge7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to twelve Ge atoms to form a mixture of distorted corner and face-sharing UGe12 cuboctahedra. There are four shorter (2.93 Å) and eight longer (3.04 Å) U–Ge bond lengths. In the second U site, U is bonded in a 12-coordinate geometry to eight Co and eight Ge atoms. There are four shorter (2.95 Å) and four longer (3.29 Å) U–Co bond lengths. There are four shorter (3.04 Å) and four longer (3.26 Å) U–Ge bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to four equivalent U and four equivalent Ge atoms. All Co–Ge bond lengths are 2.44 Å. In the second Co site, Co is bonded in a 5-coordinate geometry to four equivalent U and five Ge atoms. There are four shorter (2.30 Å) and one longer (2.32 Å) Co–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a square co-planar geometry to four equivalent U atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four U and two equivalent Co atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U and five Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UCoGe by Materials Project

UCoGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 1-coordinate geometry to six equivalent Co and six equivalent Ge atoms. There are a spread of U–Co bond distances ranging from 2.65–3.09 Å. There are a spread of U–Ge bond distances ranging from 2.94–3.03 Å. Co is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.45–2.72 Å. Ge is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(CoGe)2 by Materials Project

UCo2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All U–Co bond lengths are 3.13 Å. All U–Ge bond lengths are 3.11 Å. Co is bonded in a 4-coordinate geometry to four equivalent U and four equivalent Ge atoms. All Co–Ge bond lengths are 2.33 Å. Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2Co15Ge2 by Materials Project

U2Co15Ge2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of U–Co bond distances ranging from 2.81–3.19 Å. In the second U site, U is bonded to eighteen Co and two equivalent Ge atoms to form distorted UCo18Ge2 hexagonal bipyramids that share corners with six equivalent UCo18Ge2 hexagonal bipyramids and faces with twenty-four CoU2Co8Ge2 cuboctahedra. There are a spread of U–Co bond distances ranging from 2.83–3.16 Å. Both U–Ge bond lengths are 2.91 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded to two equivalent U, eight Co, and two equivalent Ge atoms to form distorted CoU2Co8Ge2 cuboctahedra that share corners with fourteen CoU2Co8Ge2 cuboctahedra, edges with six CoU3Co8Ge cuboctahedra, faces with ten CoU2Co8Ge2 cuboctahedra, and faces with two equivalent UCo18Ge2 hexagonal bipyramids. There are a spread of Co–Co bond distances ranging from 2.41–2.46 Å. Both Co–Ge bond lengths are 2.52 Å. In the second Co site, Co is bonded to two equivalent U, eight Co, and two equivalent Ge atoms to form distorted CoU2Co8Ge2 cuboctahedra that share corners with fourteen CoU2Co8Ge2 cuboctahedra, edges with six CoU3Co8Ge cuboctahedra, faces with ten CoU2Co8Ge2 cuboctahedra, and faces with two equivalent UCo18Ge2 hexagonal bipyramids. There are four shorter (2.41 Å) and four longer (2.45 Å) Co–Co bond lengths. Both Co–Ge bond lengths are 2.53 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to two U, eight Co, and two equivalent Ge atoms. There are a spread of Co–Co bond distances ranging from 2.50–2.61 Å. Both Co–Ge bond lengths are 2.86 Å. In the fourth Co site, Co is bonded in a 12-coordinate geometry to two U, eight Co, and two equivalent Ge atoms. There are a spread of Co–Co bond distances ranging from 2.50–2.60 Å. Both Co–Ge bond lengths are 2.86 Å. In the fifth Co site, Co is bonded in a 12-coordinate geometry to two U, eight Co, and two equivalent Ge atoms. There are two shorter (2.50 Å) and two longer (2.53 Å) Co–Co bond lengths. Both Co–Ge bond lengths are 2.85 Å. In the sixth Co site, Co is bonded to three U, eight Co, and one Ge atom to form distorted CoU3Co8Ge cuboctahedra that share corners with fifteen CoU2Co8Ge2 cuboctahedra, edges with eight CoU2Co8Ge2 cuboctahedra, faces with ten CoU2Co8Ge2 cuboctahedra, and faces with three equivalent UCo18Ge2 hexagonal bipyramids. Both Co–Co bond lengths are 2.33 Å. The Co–Ge bond length is 2.61 Å. In the seventh Co site, Co is bonded to three U, eight Co, and one Ge atom to form distorted CoU3Co8Ge cuboctahedra that share corners with fifteen CoU2Co8Ge2 cuboctahedra, edges with eight CoU2Co8Ge2 cuboctahedra, faces with ten CoU2Co8Ge2 cuboctahedra, and faces with three equivalent UCo18Ge2 hexagonal bipyramids. The Co–Ge bond length is 2.61 Å. Ge is bonded in a 8-coordinate geometry to one U, twelve Co, and one Ge atom. The Ge–Ge bond length is 2.48 Å.

36 MATERIALS SCIENCE↗