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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Lu2Mn17C3 by Materials Project

Lu2Mn17C3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a trigonal planar geometry to eight Mn and three equivalent C atoms. There are two shorter (2.97 Å) and six longer (3.21 Å) Lu–Mn bond lengths. All Lu–C bond lengths are 2.47 Å. In the second Lu site, Lu is bonded in a trigonal planar geometry to eight Mn and three equivalent C atoms. There are two shorter (2.97 Å) and six longer (3.21 Å) Lu–Mn bond lengths. All Lu–C bond lengths are 2.47 Å. In the third Lu site, Lu is bonded in a trigonal planar geometry to three equivalent C atoms. All Lu–C bond lengths are 2.42 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to two Lu and ten Mn atoms to form distorted MnLu2Mn10 cuboctahedra that share corners with four equivalent MnLu2Mn10 cuboctahedra, corners with two equivalent CLu2Mn4 octahedra, faces with six equivalent MnLu2Mn10 cuboctahedra, and faces with four equivalent CLu2Mn4 octahedra. The corner-sharing octahedral tilt angles are 40°. There are eight shorter (2.44 Å) and two longer (2.60 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded in a single-bond geometry to four Mn and one C atom. Both Mn–Mn bond lengths are 2.63 Å. The Mn–C bond length is 1.89 Å. In the third Mn site, Mn is bonded in a 2-coordinate geometry to one Lu and thirteen Mn atoms. There are one shorter (2.37 Å) and three longer (2.65 Å) Mn–Mn bond lengths. In the fourth Mn site, Mn is bonded in a single-bond geometry to three Mn and one C atom. The Mn–C bond length is 1.88 Å. C is bonded to two Lu and four Mn atoms to form CLu2Mn4 octahedra that share corners with two equivalent MnLu2Mn10 cuboctahedra, corners with four equivalent CLu2Mn4 octahedra, and faces with four equivalent MnLu2Mn10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu4InRh by Materials Project

Lu4RhIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Rh and three equivalent In atoms. All Lu–Rh bond lengths are 2.78 Å. All Lu–In bond lengths are 3.38 Å. In the second Lu site, Lu is bonded in a distorted bent 150 degrees geometry to two equivalent Rh and two equivalent In atoms. Both Lu–Rh bond lengths are 2.77 Å. Both Lu–In bond lengths are 3.44 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent In atoms. Both Lu–Rh bond lengths are 3.41 Å. Both Lu–In bond lengths are 3.16 Å. Rh is bonded in a 6-coordinate geometry to nine Lu atoms. In is bonded in a 12-coordinate geometry to nine Lu and three equivalent In atoms. All In–In bond lengths are 3.18 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu4CdNi by Materials Project

Lu4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Lu–Ni bond lengths are 2.73 Å. All Lu–Cd bond lengths are 3.34 Å. In the second Lu site, Lu is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Lu–Ni bond lengths are 2.73 Å. Both Lu–Cd bond lengths are 3.39 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Lu–Ni bond lengths are 3.38 Å. Both Lu–Cd bond lengths are 3.15 Å. Ni is bonded in a 6-coordinate geometry to nine Lu atoms. Cd is bonded to nine Lu and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdLu9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.05 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu5Ga3 by Materials Project

Lu5Ga3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six Ga atoms. All Lu–Ga bond lengths are 3.02 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six Ga atoms. All Lu–Ga bond lengths are 3.02 Å. In the third Lu site, Lu is bonded in a 3-coordinate geometry to five Ga atoms. There are a spread of Lu–Ga bond distances ranging from 2.94–3.48 Å. In the fourth Lu site, Lu is bonded in a 3-coordinate geometry to five Ga atoms. There are a spread of Lu–Ga bond distances ranging from 2.94–3.48 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Lu atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuFe2Co2B by Materials Project

LuFe2Co2B crystallizes in the orthorhombic Cmm2 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 six equivalent Fe atoms. All Lu–Fe bond lengths are 2.89 Å. In the second Lu site, Lu is bonded in a 12-coordinate geometry to four equivalent Fe, eight Co, and six equivalent B atoms. All Lu–Fe bond lengths are 2.92 Å. There are six shorter (2.88 Å) and two longer (2.91 Å) Lu–Co bond lengths. There are four shorter (2.88 Å) and two longer (2.91 Å) Lu–B bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent Lu, two equivalent Fe, and two equivalent B atoms. Both Fe–Fe bond lengths are 2.45 Å. Both Fe–B bond lengths are 2.07 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Lu, two equivalent Fe, and four Co atoms. There are a spread of Fe–Co bond distances ranging from 2.42–2.47 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to two equivalent Lu, two equivalent Fe, and two equivalent B atoms. Both Co–B bond lengths are 2.04 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to two equivalent Lu, two equivalent Fe, and two equivalent B atoms. Both Co–B bond lengths are 2.04 Å. In the third Co site, Co is bonded in a 2-coordinate geometry to two equivalent Lu, two equivalent Fe, and two equivalent B atoms. Both Co–B bond lengths are 2.06 Å. B is bonded in a 6-coordinate geometry to three equivalent Lu, two equivalent Fe, and four Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu4CdPd by Materials Project

Lu4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Lu–Pd bond lengths are 2.80 Å. All Lu–Cd bond lengths are 3.29 Å. In the second Lu site, Lu is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Lu–Pd bond lengths are 2.81 Å. Both Lu–Cd bond lengths are 3.45 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Lu–Pd bond lengths are 3.46 Å. Both Lu–Cd bond lengths are 3.18 Å. Pd is bonded in a 6-coordinate geometry to nine Lu atoms. Cd is bonded to nine Lu and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdLu9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.15 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu4CdIr by Materials Project

Lu4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Lu–Ir bond lengths are 2.78 Å. All Lu–Cd bond lengths are 3.38 Å. In the second Lu site, Lu is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Lu–Ir bond lengths are 2.76 Å. Both Lu–Cd bond lengths are 3.43 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Lu–Ir bond lengths are 3.41 Å. Both Lu–Cd bond lengths are 3.20 Å. Ir is bonded in a 6-coordinate geometry to nine Lu atoms. Cd is bonded to nine Lu and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdLu9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.09 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu4Ni13C4 by Materials Project

Lu4Ni13C4 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 6-coordinate geometry to fourteen Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.63–2.99 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to eleven Ni and four equivalent C atoms. There are a spread of Lu–Ni bond distances ranging from 2.60–3.17 Å. All Lu–C bond lengths are 2.68 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Lu and eight Ni atoms to form NiLu4Ni8 cuboctahedra that share corners with four equivalent CNi6 octahedra and faces with two equivalent NiLu4Ni8 cuboctahedra. The corner-sharing octahedral tilt angles are 34°. There are four shorter (2.38 Å) and four longer (2.48 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a distorted bent 150 degrees geometry to four Lu and two C atoms. There is one shorter (1.87 Å) and one longer (1.89 Å) Ni–C bond length. In the third Ni site, Ni is bonded in a linear geometry to four Lu and two equivalent C atoms. Both Ni–C bond lengths are 1.90 Å. In the fourth Ni site, Ni is bonded in a single-bond geometry to four Lu, three Ni, and one C atom. Both Ni–Ni bond lengths are 2.39 Å. The Ni–C bond length is 1.85 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to three Lu and six Ni atoms. There are two inequivalent C sites. In the first C site, C is bonded to six Ni atoms to form CNi6 octahedra that share corners with two equivalent NiLu4Ni8 cuboctahedra and corners with two equivalent CNi6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second C site, C is bonded in a 7-coordinate geometry to four equivalent Lu, two equivalent Ni, and one C atom. The C–C bond length is 1.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Ga2 by Materials Project

Lu3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Lu–Ga bond distances ranging from 2.85–3.62 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Lu–Ga bond distances ranging from 2.92–3.43 Å. In the third Lu site, Lu is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Lu–Ga bond distances ranging from 2.89–3.22 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Lu atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Lu atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Lu and one Ga atom. The Ga–Ga bond length is 2.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuNiGe2 by Materials Project

LuNiGe2 crystallizes in the orthorhombic Immm 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 four equivalent Ni and ten Ge atoms. All Lu–Ni bond lengths are 3.11 Å. There are a spread of Lu–Ge bond distances ranging from 3.13–3.28 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to six equivalent Ni and eight Ge atoms. There are four shorter (3.07 Å) and two longer (3.18 Å) Lu–Ni bond lengths. There are a spread of Lu–Ge bond distances ranging from 2.87–2.92 Å. Ni is bonded in a 10-coordinate geometry to five Lu and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.34–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four Lu, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.67 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Lu, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.43 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuSeO3 by Materials Project

LuSeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to seven O atoms to form distorted edge-sharing LuO7 pentagonal bipyramids. There are a spread of Lu–O bond distances ranging from 2.12–2.45 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Lu–O bond distances ranging from 2.07–2.38 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.73–1.76 Å. In the second Se site, Se is bonded in a water-like geometry to two O atoms. There is one shorter (1.81 Å) and one longer (1.83 Å) Se–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two Lu and one Se atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Lu and one Se atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Lu and one Se atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two Lu and one Se atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Lu atoms. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two Lu and one Se atom.

36 MATERIALS SCIENCE↗
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↗