Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Lu”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Lu6Ta4Al43 by Materials Project

Lu6Ta4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to one Lu, one Ta, and fifteen Al atoms. The Lu–Lu bond length is 3.46 Å. The Lu–Ta bond length is 3.46 Å. There are a spread of Lu–Al bond distances ranging from 3.05–3.46 Å. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded to twelve Al atoms to form TaAl12 cuboctahedra that share edges with six equivalent AlTa2Al10 cuboctahedra. There are six shorter (2.69 Å) and six longer (2.91 Å) Ta–Al bond lengths. In the second Ta site, Ta is bonded in a 10-coordinate geometry to two equivalent Lu and ten Al atoms. There are a spread of Ta–Al bond distances ranging from 2.65–2.76 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one Lu, two Ta, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–3.07 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, one Ta, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–3.05 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Lu and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.78–3.06 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, one Ta, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–3.07 Å. In the fifth Al site, Al is bonded in a 10-coordinate geometry to two equivalent Lu, one Ta, and seven Al atoms. There are two shorter (2.82 Å) and one longer (2.89 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded to two equivalent Ta and ten Al atoms to form distorted AlTa2Al10 cuboctahedra that share corners with four equivalent AlLu3Al9 cuboctahedra, edges with two equivalent TaAl12 cuboctahedra, and faces with two equivalent AlTa2Al10 cuboctahedra. Both Al–Al bond lengths are 2.84 Å. In the seventh Al site, Al is bonded to three equivalent Lu and nine Al atoms to form AlLu3Al9 cuboctahedra that share corners with six AlTa2Al10 cuboctahedra and faces with two equivalent AlLu3Al9 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu5Ge4 by Materials Project

Lu5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.82–2.98 Å. In the second Lu site, Lu is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.92–3.56 Å. In the third Lu site, Lu is bonded to six Ge atoms to form corner-sharing LuGe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Lu–Ge bond distances ranging from 2.88–3.02 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Lu and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to eight Lu atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Lu and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu6Al43W4 by Materials Project

Lu6W4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to one Lu, one W, and fifteen Al atoms. The Lu–Lu bond length is 3.41 Å. The Lu–W bond length is 3.47 Å. There are a spread of Lu–Al bond distances ranging from 3.05–3.42 Å. There are two inequivalent W sites. In the first W site, W is bonded in a 10-coordinate geometry to two equivalent Lu and ten Al atoms. There are a spread of W–Al bond distances ranging from 2.60–2.73 Å. In the second W site, W is bonded in a cuboctahedral geometry to twelve Al atoms. There are six shorter (2.67 Å) and six longer (2.87 Å) W–Al bond lengths. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Lu, two W, and three equivalent Al atoms. There are one shorter (2.74 Å) and two longer (2.87 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Lu and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–3.04 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to two equivalent Lu, one W, and three Al atoms. There are one shorter (2.71 Å) and one longer (2.85 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a distorted linear geometry to two equivalent W atoms. In the fifth Al site, Al is bonded in a 1-coordinate geometry to two equivalent Lu, one W, and nine Al atoms. Both Al–Al bond lengths are 3.01 Å. In the sixth Al site, Al is bonded to three equivalent Lu and nine Al atoms to form a mixture of corner and face-sharing AlLu3Al9 cuboctahedra. All Al–Al bond lengths are 2.82 Å. In the seventh Al site, Al is bonded in a 1-coordinate geometry to two equivalent Lu, one W, and two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu6Al43Mo4 by Materials Project

Lu6Mo4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to one Lu, one Mo, and fifteen Al atoms. The Lu–Lu bond length is 3.40 Å. The Lu–Mo bond length is 3.46 Å. There are a spread of Lu–Al bond distances ranging from 3.05–3.43 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to two equivalent Lu and ten Al atoms. There are a spread of Mo–Al bond distances ranging from 2.60–2.72 Å. In the second Mo site, Mo is bonded in a cuboctahedral geometry to twelve Al atoms. There are six shorter (2.67 Å) and six longer (2.86 Å) Mo–Al bond lengths. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Lu, two Mo, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.74–2.87 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Lu and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–3.04 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to two equivalent Lu, one Mo, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–3.04 Å. In the fourth Al site, Al is bonded in a distorted linear geometry to two equivalent Mo and four equivalent Al atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, one Mo, and nine Al atoms. Both Al–Al bond lengths are 3.01 Å. In the sixth Al site, Al is bonded to three equivalent Lu and nine Al atoms to form a mixture of face and corner-sharing AlLu3Al9 cuboctahedra. All Al–Al bond lengths are 2.81 Å. In the seventh Al site, Al is bonded in a 1-coordinate geometry to two equivalent Lu, one Mo, and six Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu5Mg24 by Materials Project

Mg24Lu5 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two equivalent Lu atoms. There are a spread of Mg–Mg bond distances ranging from 3.00–3.36 Å. There are one shorter (3.19 Å) and one longer (3.70 Å) Mg–Lu bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Lu atoms. There are one shorter (2.83 Å) and two longer (3.02 Å) Mg–Mg bond lengths. There are a spread of Mg–Lu bond distances ranging from 3.40–3.62 Å. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Lu atoms. All Lu–Lu bond lengths are 3.54 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to fifteen Mg and one Lu atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu6Al43V4 by Materials Project

Lu6V4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to one Lu, one V, and fifteen Al atoms. The Lu–Lu bond length is 3.43 Å. The Lu–V bond length is 3.46 Å. There are a spread of Lu–Al bond distances ranging from 3.03–3.44 Å. There are two inequivalent V sites. In the first V site, V is bonded to twelve Al atoms to form VAl12 cuboctahedra that share corners with six equivalent VLu2Al10 cuboctahedra and edges with six equivalent AlAl10V2 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.84 Å) V–Al bond lengths. In the second V site, V is bonded to two equivalent Lu and ten Al atoms to form distorted VLu2Al10 cuboctahedra that share corners with four VAl12 cuboctahedra, an edgeedge with one AlAl10V2 cuboctahedra, and faces with six AlAl10V2 cuboctahedra. There are a spread of V–Al bond distances ranging from 2.58–2.68 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Lu and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–3.07 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, one V, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.99 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to two equivalent Lu, one V, and seven Al atoms. There are one shorter (2.79 Å) and two longer (2.80 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded to two equivalent V and ten Al atoms to form distorted AlAl10V2 cuboctahedra that share corners with four equivalent AlLu3Al9 cuboctahedra, edges with three VAl12 cuboctahedra, faces with two equivalent VLu2Al10 cuboctahedra, and faces with two equivalent AlAl10V2 cuboctahedra. There are two shorter (2.78 Å) and four longer (2.88 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded to three equivalent Lu and nine Al atoms to form AlLu3Al9 cuboctahedra that share corners with six AlAl10V2 cuboctahedra, faces with two equivalent AlLu3Al9 cuboctahedra, and faces with three equivalent VLu2Al10 cuboctahedra. In the sixth Al site, Al is bonded in a 12-coordinate geometry to one Lu, two V, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–2.97 Å. In the seventh Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, one V, and nine Al atoms. Both Al–Al bond lengths are 2.98 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3(CuSn)4 by Materials Project

Lu3(CuSn)4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 11-coordinate geometry to six Cu and seven Sn atoms. There are a spread of Lu–Cu bond distances ranging from 3.02–3.33 Å. There are a spread of Lu–Sn bond distances ranging from 3.15–3.46 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to four equivalent Cu and six Sn atoms. All Lu–Cu bond lengths are 3.40 Å. There are four shorter (3.01 Å) and two longer (3.15 Å) Lu–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to three equivalent Lu, three Cu, and four Sn atoms. There are one shorter (2.65 Å) and two longer (2.96 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.63–2.70 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to five Lu, one Cu, and four Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.60–2.72 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to four Lu and six Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Lu, two Cu, and one Sn atom. The Sn–Sn bond length is 2.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Mg by Materials Project

MgLu3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Lu atoms. All Mg–Mg bond lengths are 3.32 Å. All Mg–Lu bond lengths are 3.34 Å. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a distorted body-centered cubic geometry to two equivalent Mg and six Lu atoms. There are four shorter (3.32 Å) and two longer (3.35 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded in a distorted body-centered cubic geometry to eight Lu atoms. All Lu–Lu bond lengths are 3.32 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuInPd by Materials Project

LuPdIn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 11-coordinate geometry to five Pd and six In atoms. There are four shorter (2.97 Å) and one longer (3.20 Å) Lu–Pd bond lengths. There are two shorter (3.14 Å) and four longer (3.35 Å) Lu–In bond lengths. In the second Lu site, Lu is bonded in a 11-coordinate geometry to five Pd and six In atoms. There are a spread of Lu–Pd bond distances ranging from 2.98–3.16 Å. There are a spread of Lu–In bond distances ranging from 3.13–3.36 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six Lu and three In atoms. There are two shorter (2.89 Å) and one longer (2.90 Å) Pd–In bond lengths. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three Lu and six In atoms. There are four shorter (2.74 Å) and two longer (2.75 Å) Pd–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Lu and four Pd atoms. In the second In site, In is bonded in a 10-coordinate geometry to six Lu and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Th by Materials Project

ThLu3 is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Th is bonded to six equivalent Th and six equivalent Lu atoms to form ThLu6Th6 cuboctahedra that share corners with six equivalent ThLu6Th6 cuboctahedra, corners with twelve equivalent LuLu12 cuboctahedra, edges with six equivalent ThLu6Th6 cuboctahedra, edges with twelve equivalent LuLu9Th3 cuboctahedra, faces with six equivalent ThLu6Th6 cuboctahedra, and faces with fourteen LuLu12 cuboctahedra. All Th–Th bond lengths are 3.54 Å. All Th–Lu bond lengths are 3.52 Å. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded to twelve Lu atoms to form LuLu12 cuboctahedra that share corners with six equivalent LuLu12 cuboctahedra, corners with twelve equivalent ThLu6Th6 cuboctahedra, edges with eighteen LuLu12 cuboctahedra, faces with two equivalent ThLu6Th6 cuboctahedra, and faces with eighteen LuLu12 cuboctahedra. There are six shorter (3.45 Å) and six longer (3.54 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded to three equivalent Th and nine Lu atoms to form LuLu9Th3 cuboctahedra that share corners with eighteen equivalent LuLu9Th3 cuboctahedra, edges with six equivalent ThLu6Th6 cuboctahedra, edges with twelve LuLu12 cuboctahedra, faces with six equivalent ThLu6Th6 cuboctahedra, and faces with fourteen LuLu12 cuboctahedra. All Lu–Lu bond lengths are 3.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu6Ti4Al43 by Materials Project

Lu6Ti4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to one Lu, one Ti, and fifteen Al atoms. The Lu–Lu bond length is 3.47 Å. The Lu–Ti bond length is 3.47 Å. There are a spread of Lu–Al bond distances ranging from 3.07–3.46 Å. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded to twelve Al atoms to form TiAl12 cuboctahedra that share edges with six equivalent AlTi2Al10 cuboctahedra. There are six shorter (2.68 Å) and six longer (2.86 Å) Ti–Al bond lengths. In the second Ti site, Ti is bonded in a 10-coordinate geometry to two equivalent Lu and ten Al atoms. There are a spread of Ti–Al bond distances ranging from 2.61–2.72 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one Lu, two Ti, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.74–3.01 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, one Ti, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.74–3.00 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Lu and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–3.08 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, one Ti, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–3.04 Å. In the fifth Al site, Al is bonded in a 10-coordinate geometry to two equivalent Lu, one Ti, and seven Al atoms. There are two shorter (2.82 Å) and one longer (2.85 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded to two equivalent Ti and ten Al atoms to form distorted AlTi2Al10 cuboctahedra that share corners with four equivalent AlLu3Al9 cuboctahedra, edges with two equivalent TiAl12 cuboctahedra, and faces with two equivalent AlTi2Al10 cuboctahedra. Both Al–Al bond lengths are 2.81 Å. In the seventh Al site, Al is bonded to three equivalent Lu and nine Al atoms to form AlLu3Al9 cuboctahedra that share corners with six AlTi2Al10 cuboctahedra and faces with two equivalent AlLu3Al9 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2Ga3Ni by Materials Project

Lu2NiGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. There are two shorter (3.12 Å) and one longer (3.15 Å) Lu–Ni bond lengths. There are a spread of Lu–Ga bond distances ranging from 2.94–3.18 Å. In the second Lu site, Lu is bonded in a 11-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (2.93 Å) and two longer (2.99 Å) Lu–Ni bond lengths. There are a spread of Lu–Ga bond distances ranging from 2.95–3.33 Å. Ni is bonded in a 10-coordinate geometry to six Lu and four Ga atoms. There are three shorter (2.44 Å) and one longer (2.63 Å) Ni–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Lu, one Ni, and three Ga atoms. There are two shorter (2.57 Å) and one longer (2.81 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Lu, two equivalent Ni, and two Ga atoms. The Ga–Ga bond length is 2.62 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Lu, one Ni, and three Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu11(Ni10C)6 by Materials Project

Lu11Ni60C6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to fifteen Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.78–2.95 Å. In the second Lu site, Lu is bonded in a distorted linear geometry to twelve Ni and two equivalent C atoms. There are four shorter (3.08 Å) and eight longer (3.25 Å) Lu–Ni bond lengths. Both Lu–C bond lengths are 2.54 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a single-bond geometry to four equivalent Lu and one C atom. The Ni–C bond length is 1.84 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Lu and twelve Ni atoms. There are four shorter (2.58 Å) and eight longer (2.61 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a single-bond geometry to two equivalent Lu, five Ni, and one C atom. There are two shorter (2.43 Å) and two longer (2.48 Å) Ni–Ni bond lengths. The Ni–C bond length is 1.86 Å. In the fourth Ni site, Ni is bonded to three Lu and nine Ni atoms to form distorted NiLu3Ni9 cuboctahedra that share corners with four equivalent NiLu3Ni9 cuboctahedra, corners with three equivalent CLuNi5 octahedra, edges with three equivalent NiLu3Ni9 cuboctahedra, faces with eleven equivalent NiLu3Ni9 cuboctahedra, and a faceface with one CLuNi5 octahedra. The corner-sharing octahedra tilt angles range from 28–69°. There are one shorter (2.30 Å) and two longer (2.34 Å) Ni–Ni bond lengths. C is bonded to one Lu and five Ni atoms to form distorted CLuNi5 octahedra that share corners with twelve equivalent NiLu3Ni9 cuboctahedra, a cornercorner with one CLuNi5 octahedra, and faces with four equivalent NiLu3Ni9 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiLuSn by Materials Project

LiLuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to six Lu and four Sn atoms. There are a spread of Li–Lu bond distances ranging from 3.06–3.35 Å. There are a spread of Li–Sn bond distances ranging from 2.70–3.16 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to six equivalent Lu and four Sn atoms. There are three shorter (3.12 Å) and three longer (3.43 Å) Li–Lu bond lengths. There are three shorter (2.73 Å) and one longer (2.81 Å) Li–Sn bond lengths. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to six Li and six Sn atoms. There are a spread of Lu–Sn bond distances ranging from 3.13–3.33 Å. In the second Lu site, Lu is bonded in a 12-coordinate geometry to six equivalent Li and six equivalent Sn atoms. There are three shorter (3.14 Å) and three longer (3.30 Å) Lu–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to four Li and six Lu atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four Li and six equivalent Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuGa2Ni3 by Materials Project

LuNi3Ga2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 9-coordinate geometry to nine Ni and nine Ga atoms. There are six shorter (3.01 Å) and three longer (3.08 Å) Lu–Ni bond lengths. There are three shorter (3.21 Å) and six longer (3.23 Å) Lu–Ga bond lengths. In the second Lu site, Lu is bonded in a 6-coordinate geometry to twelve Ni and six equivalent Ga atoms. There are six shorter (2.81 Å) and six longer (3.28 Å) Lu–Ni bond lengths. All Lu–Ga bond lengths are 3.11 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to three Lu, two equivalent Ni, and four Ga atoms. Both Ni–Ni bond lengths are 2.52 Å. There are a spread of Ni–Ga bond distances ranging from 2.35–2.43 Å. In the second Ni site, Ni is bonded to four Lu, four equivalent Ni, and four Ga atoms to form a mixture of distorted corner and face-sharing NiLu4Ga4Ni4 cuboctahedra. There are two shorter (2.47 Å) and two longer (2.62 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Lu and six Ni atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four Lu and six Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2In by Materials Project

Lu2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to eight Lu and six equivalent In atoms. There are two shorter (3.30 Å) and six longer (3.47 Å) Lu–Lu bond lengths. All Lu–In bond lengths are 3.47 Å. In the second Lu site, Lu is bonded to six equivalent Lu and five equivalent In atoms to form a mixture of distorted face and corner-sharing LuLu6In5 trigonal bipyramids. There are three shorter (3.05 Å) and two longer (3.30 Å) Lu–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuMnGe2 by Materials Project

LuMnGe2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.85–3.00 Å. In the second Lu site, Lu is bonded to seven Ge atoms to form a mixture of distorted corner and edge-sharing LuGe7 pentagonal bipyramids. There are a spread of Lu–Ge bond distances ranging from 2.83–2.93 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.57–2.59 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.46–2.65 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to six Lu, two equivalent Mn, and two equivalent Ge atoms. There are one shorter (2.66 Å) and one longer (2.74 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Lu and four equivalent Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Lu and four equivalent Mn atoms. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to three Lu, three Mn, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the fifth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Lu and two equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Ni2Ge3 by Materials Project

Lu3Ni2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 11-coordinate geometry to four equivalent Ni and seven Ge atoms. There are a spread of Lu–Ni bond distances ranging from 2.92–3.13 Å. There are a spread of Lu–Ge bond distances ranging from 2.94–3.12 Å. In the second Lu site, Lu is bonded in a 9-coordinate geometry to four equivalent Ni and five Ge atoms. All Lu–Ni bond lengths are 3.01 Å. There are a spread of Lu–Ge bond distances ranging from 2.92–2.99 Å. Ni is bonded in a 10-coordinate geometry to six Lu and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.61 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Lu, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Lu and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗