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At least 361 records · Page 20
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DOE OSTI2020

Materials Data on LuCd2 by Materials Project

LuCd2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu is bonded to two equivalent Lu and twelve equivalent Cd atoms to form a mixture of distorted corner, edge, and face-sharing LuLu2Cd12 cuboctahedra. Both Lu–Lu bond lengths are 3.37 Å. There are six shorter (3.29 Å) and six longer (3.34 Å) Lu–Cd bond lengths. Cd is bonded in a 11-coordinate geometry to six equivalent Lu and five equivalent Cd atoms. There are three shorter (2.86 Å) and two longer (3.37 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmLu3 by Materials Project

Lu3Sm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to eight equivalent Lu and four equivalent Sm atoms to form LuSm4Lu8 cuboctahedra that share corners with four equivalent SmLu12 cuboctahedra, corners with fourteen equivalent LuSm4Lu8 cuboctahedra, edges with six equivalent SmLu12 cuboctahedra, edges with twelve equivalent LuSm4Lu8 cuboctahedra, faces with four equivalent SmLu12 cuboctahedra, and faces with sixteen equivalent LuSm4Lu8 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.45–3.60 Å. There are two shorter (3.48 Å) and two longer (3.56 Å) Lu–Sm bond lengths. Sm is bonded to twelve equivalent Lu atoms to form SmLu12 cuboctahedra that share corners with six equivalent SmLu12 cuboctahedra, corners with twelve equivalent LuSm4Lu8 cuboctahedra, edges with eighteen equivalent LuSm4Lu8 cuboctahedra, faces with eight equivalent SmLu12 cuboctahedra, and faces with twelve equivalent LuSm4Lu8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Al by Materials Project

Lu3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to eight equivalent Lu and four equivalent Al atoms to form distorted LuLu8Al4 cuboctahedra that share corners with four equivalent AlLu12 cuboctahedra, corners with fourteen equivalent LuLu8Al4 cuboctahedra, edges with six equivalent AlLu12 cuboctahedra, edges with twelve equivalent LuLu8Al4 cuboctahedra, faces with four equivalent AlLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Al4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.22–3.43 Å. There are two shorter (3.22 Å) and two longer (3.33 Å) Lu–Al bond lengths. Al is bonded to twelve equivalent Lu atoms to form AlLu12 cuboctahedra that share corners with six equivalent AlLu12 cuboctahedra, corners with twelve equivalent LuLu8Al4 cuboctahedra, edges with eighteen equivalent LuLu8Al4 cuboctahedra, faces with eight equivalent AlLu12 cuboctahedra, and faces with twelve equivalent LuLu8Al4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Ga by Materials Project

Lu3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to eight equivalent Lu and four equivalent Ga atoms to form distorted LuLu8Ga4 cuboctahedra that share corners with four equivalent GaLu12 cuboctahedra, corners with fourteen equivalent LuLu8Ga4 cuboctahedra, edges with six equivalent GaLu12 cuboctahedra, edges with twelve equivalent LuLu8Ga4 cuboctahedra, faces with four equivalent GaLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Ga4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.20–3.41 Å. There are two shorter (3.20 Å) and two longer (3.30 Å) Lu–Ga bond lengths. Ga is bonded to twelve equivalent Lu atoms to form GaLu12 cuboctahedra that share corners with six equivalent GaLu12 cuboctahedra, corners with twelve equivalent LuLu8Ga4 cuboctahedra, edges with eighteen equivalent LuLu8Ga4 cuboctahedra, faces with eight equivalent GaLu12 cuboctahedra, and faces with twelve equivalent LuLu8Ga4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiLu3 by Materials Project

LiLu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Lu atoms to form LiLu12 cuboctahedra that share corners with six equivalent LiLu12 cuboctahedra, corners with twelve equivalent LuLi4Lu8 cuboctahedra, edges with eighteen equivalent LuLi4Lu8 cuboctahedra, faces with eight equivalent LiLu12 cuboctahedra, and faces with twelve equivalent LuLi4Lu8 cuboctahedra. There are six shorter (3.34 Å) and six longer (3.42 Å) Li–Lu bond lengths. Lu is bonded to four equivalent Li and eight equivalent Lu atoms to form distorted LuLi4Lu8 cuboctahedra that share corners with four equivalent LiLu12 cuboctahedra, corners with fourteen equivalent LuLi4Lu8 cuboctahedra, edges with six equivalent LiLu12 cuboctahedra, edges with twelve equivalent LuLi4Lu8 cuboctahedra, faces with four equivalent LiLu12 cuboctahedra, and faces with sixteen equivalent LuLi4Lu8 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.36–3.44 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuAlPd by Materials Project

LuPdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to five Pd and six equivalent Al atoms. There are one shorter (2.91 Å) and four longer (2.92 Å) Lu–Pd bond lengths. There are two shorter (3.16 Å) and four longer (3.23 Å) Lu–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Al atoms. All Pd–Al bond lengths are 2.63 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Al atoms. All Pd–Al bond lengths are 2.73 Å. Al is bonded in a 4-coordinate geometry to six equivalent Lu and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuSi2Ni by Materials Project

LuNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to four equivalent Ni and ten Si atoms. All Lu–Ni bond lengths are 2.99 Å. There are a spread of Lu–Si bond distances ranging from 2.96–3.09 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Lu and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.23–2.32 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Lu, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.34 Å. In the second Si site, Si is bonded in a 12-coordinate geometry to four equivalent Lu, four equivalent Ni, and four equivalent Si atoms. All Si–Si bond lengths are 2.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Ga5Ni by Materials Project

Lu3NiGa5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to one Ni and ten Ga atoms. The Lu–Ni bond length is 2.77 Å. There are four shorter (2.93 Å) and six longer (3.19 Å) Lu–Ga bond lengths. Ni is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.63 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Lu, two equivalent Ni, and four Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaLu6Ga4Ni2 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Ga atoms.

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DOE OSTI2020

Materials Data on LuCoGe2 by Materials Project

LuCoGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 4-coordinate geometry to four equivalent Co and ten Ge atoms. All Lu–Co bond lengths are 3.11 Å. There are a spread of Lu–Ge bond distances ranging from 3.08–3.27 Å. Co is bonded in a 9-coordinate geometry to four equivalent Lu and five Ge atoms. There are one shorter (2.24 Å) and four longer (2.37 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Lu and four equivalent Co atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Lu, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuFeGe2 by Materials Project

LuFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to four equivalent Fe and ten Ge atoms. All Lu–Fe bond lengths are 3.11 Å. There are a spread of Lu–Ge bond distances ranging from 3.06–3.29 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Lu and five Ge atoms. There are one shorter (2.25 Å) and four longer (2.38 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Lu and four equivalent Fe atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Lu, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2Fe17C3 by Materials Project

Lu2Fe17C3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu is bonded in a distorted trigonal planar geometry to four Fe and three equivalent C atoms. There are one shorter (3.08 Å) and three longer (3.30 Å) Lu–Fe bond lengths. All Lu–C bond lengths are 2.47 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Lu and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.40–2.71 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one C atom. Both Fe–Fe bond lengths are 2.44 Å. The Fe–C bond length is 1.85 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe and one C atom. Both Fe–Fe bond lengths are 2.46 Å. The Fe–C bond length is 1.91 Å. In the fourth Fe site, Fe is bonded to two equivalent Lu and ten Fe atoms to form distorted FeLu2Fe10 cuboctahedra that share corners with four equivalent FeLu2Fe10 cuboctahedra, corners with two equivalent CLu2Fe4 octahedra, faces with four equivalent FeLu2Fe10 cuboctahedra, and faces with four equivalent CLu2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. C is bonded to two equivalent Lu and four Fe atoms to form CLu2Fe4 octahedra that share corners with two equivalent FeLu2Fe10 cuboctahedra, corners with four equivalent CLu2Fe4 octahedra, and faces with four equivalent FeLu2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErLu3 by Materials Project

Lu3Er is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to eight equivalent Lu and four equivalent Er atoms to form LuEr4Lu8 cuboctahedra that share corners with four equivalent ErLu12 cuboctahedra, corners with fourteen equivalent LuEr4Lu8 cuboctahedra, edges with six equivalent ErLu12 cuboctahedra, edges with twelve equivalent LuEr4Lu8 cuboctahedra, faces with four equivalent ErLu12 cuboctahedra, and faces with sixteen equivalent LuEr4Lu8 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.43–3.55 Å. There are two shorter (3.43 Å) and two longer (3.54 Å) Lu–Er bond lengths. Er is bonded to twelve equivalent Lu atoms to form ErLu12 cuboctahedra that share corners with six equivalent ErLu12 cuboctahedra, corners with twelve equivalent LuEr4Lu8 cuboctahedra, edges with eighteen equivalent LuEr4Lu8 cuboctahedra, faces with eight equivalent ErLu12 cuboctahedra, and faces with twelve equivalent LuEr4Lu8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeLu3 by Materials Project

Lu3Ce is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to eight equivalent Lu and four equivalent Ce atoms to form LuCe4Lu8 cuboctahedra that share corners with four equivalent CeLu12 cuboctahedra, corners with fourteen equivalent LuCe4Lu8 cuboctahedra, edges with six equivalent CeLu12 cuboctahedra, edges with twelve equivalent LuCe4Lu8 cuboctahedra, faces with four equivalent CeLu12 cuboctahedra, and faces with sixteen equivalent LuCe4Lu8 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.44–3.51 Å. There are two shorter (3.44 Å) and two longer (3.50 Å) Lu–Ce bond lengths. Ce is bonded to twelve equivalent Lu atoms to form CeLu12 cuboctahedra that share corners with six equivalent CeLu12 cuboctahedra, corners with twelve equivalent LuCe4Lu8 cuboctahedra, edges with eighteen equivalent LuCe4Lu8 cuboctahedra, faces with eight equivalent CeLu12 cuboctahedra, and faces with twelve equivalent LuCe4Lu8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuCd2 by Materials Project

LuCd2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu is bonded to two equivalent Lu and six equivalent Cd atoms to form LuLu2Cd6 hexagonal bipyramids that share corners with two equivalent LuLu2Cd6 hexagonal bipyramids, corners with six equivalent CdLu3Cd5 hexagonal bipyramids, edges with six equivalent LuLu2Cd6 hexagonal bipyramids, and edges with eighteen equivalent CdLu3Cd5 hexagonal bipyramids. Both Lu–Lu bond lengths are 3.22 Å. All Lu–Cd bond lengths are 3.11 Å. Cd is bonded to three equivalent Lu and five equivalent Cd atoms to form distorted CdLu3Cd5 hexagonal bipyramids that share corners with three equivalent LuLu2Cd6 hexagonal bipyramids, corners with five equivalent CdLu3Cd5 hexagonal bipyramids, edges with nine equivalent LuLu2Cd6 hexagonal bipyramids, and edges with fifteen equivalent CdLu3Cd5 hexagonal bipyramids. There are three shorter (3.12 Å) and two longer (3.22 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Th by Materials Project

ThLu3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Lu atoms to form ThLu12 cuboctahedra that share corners with six equivalent ThLu12 cuboctahedra, corners with twelve equivalent LuLu8Th4 cuboctahedra, edges with eighteen equivalent LuLu8Th4 cuboctahedra, faces with eight equivalent ThLu12 cuboctahedra, and faces with twelve equivalent LuLu8Th4 cuboctahedra. There are six shorter (3.50 Å) and six longer (3.52 Å) Th–Lu bond lengths. Lu is bonded to four equivalent Th and eight equivalent Lu atoms to form LuLu8Th4 cuboctahedra that share corners with four equivalent ThLu12 cuboctahedra, corners with fourteen equivalent LuLu8Th4 cuboctahedra, edges with six equivalent ThLu12 cuboctahedra, edges with twelve equivalent LuLu8Th4 cuboctahedra, faces with four equivalent ThLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Th4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.49–3.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuSnRh by Materials Project

LuRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (2.96 Å) and one longer (3.06 Å) Lu–Rh bond lengths. There are two shorter (3.12 Å) and four longer (3.26 Å) Lu–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.74 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.83 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Lu and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuInAu by Materials Project

LuAuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.06 Å) and one longer (3.11 Å) Lu–Au bond lengths. There are two shorter (3.24 Å) and four longer (3.36 Å) Lu–In bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent In atoms. All Au–In bond lengths are 2.82 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent In atoms. All Au–In bond lengths are 2.88 Å. In is bonded in a 4-coordinate geometry to six equivalent Lu and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiLuSn2 by Materials Project

LiLuSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Lu and five Sn atoms. All Li–Lu bond lengths are 3.35 Å. There are a spread of Li–Sn bond distances ranging from 2.45–2.67 Å. Lu is bonded in a 12-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Lu–Sn bond distances ranging from 3.31–3.61 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Lu atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Lu atoms to form a mixture of edge and face-sharing SnLi4Lu4 tetrahedra.

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