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DOE OSTI2020

Materials Data on Lu3Ga8Rh3 by Materials Project

Lu3Rh3Ga8 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 to twelve Ga atoms to form distorted face-sharing LuGa12 cuboctahedra. There are eight shorter (3.12 Å) and four longer (3.23 Å) Lu–Ga bond lengths. In the second Lu site, Lu is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (2.94 Å) and two longer (2.98 Å) Lu–Rh bond lengths. There are four shorter (3.03 Å) and four longer (3.15 Å) Lu–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Lu and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.60 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Lu and six Ga atoms. There are two shorter (2.55 Å) and four longer (2.60 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Lu, three Rh, and three equivalent Ga atoms. There are two shorter (2.66 Å) and one longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Lu, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.52 Å.

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Materials Data on Lu3Ga8Ir3 by Materials Project

Lu3Ir3Ga8 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 to twelve Ga atoms to form distorted face-sharing LuGa12 cuboctahedra. There are eight shorter (3.14 Å) and four longer (3.26 Å) Lu–Ga bond lengths. In the second Lu site, Lu is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (2.93 Å) and two longer (2.95 Å) Lu–Ir bond lengths. There are four shorter (3.01 Å) and four longer (3.15 Å) Lu–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Lu and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.61 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to two equivalent Lu and six Ga atoms. There are two shorter (2.56 Å) and four longer (2.59 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Lu, three Ir, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.67 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Lu, one Ir, and four Ga atoms. The Ga–Ga bond length is 2.52 Å.

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Materials Data on Lu3Ga9Pd2 by Materials Project

Lu3Pd2Ga9 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 to twelve Ga atoms to form LuGa12 cuboctahedra that share edges with two equivalent GaLu4Ga4Pd4 cuboctahedra and faces with two equivalent LuGa12 cuboctahedra. There are eight shorter (3.13 Å) and four longer (3.17 Å) Lu–Ga bond lengths. In the second Lu site, Lu is bonded in a 10-coordinate geometry to two equivalent Pd and twelve Ga atoms. Both Lu–Pd bond lengths are 3.02 Å. There are a spread of Lu–Ga bond distances ranging from 3.06–3.35 Å. Pd is bonded in a 10-coordinate geometry to two equivalent Lu and eight Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.61–2.75 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Lu, two equivalent Pd, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.71 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Lu, one Pd, and four Ga atoms. The Ga–Ga bond length is 2.50 Å. In the third Ga site, Ga is bonded to four equivalent Lu, four equivalent Pd, and four equivalent Ga atoms to form distorted GaLu4Ga4Pd4 cuboctahedra that share edges with two equivalent LuGa12 cuboctahedra and faces with two equivalent GaLu4Ga4Pd4 cuboctahedra.

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Materials Data on Lu3AlNi8 by Materials Project

Lu3Ni8Al 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 12-coordinate geometry to twelve Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.81–3.00 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to fifteen Ni and three equivalent Al atoms. There are three shorter (2.87 Å) and twelve longer (3.17 Å) Lu–Ni bond lengths. All Lu–Al bond lengths are 2.87 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Lu, six Ni, and one Al atom to form distorted NiLu5AlNi6 cuboctahedra that share corners with two equivalent AlLu3Ni9 cuboctahedra, corners with nineteen NiLu5AlNi6 cuboctahedra, edges with eight equivalent NiLu5AlNi6 cuboctahedra, faces with three equivalent AlLu3Ni9 cuboctahedra, and faces with seventeen NiLu5AlNi6 cuboctahedra. There are two shorter (2.44 Å) and four longer (2.48 Å) Ni–Ni bond lengths. The Ni–Al bond length is 2.44 Å. In the second Ni site, Ni is bonded to three equivalent Lu, six equivalent Ni, and three equivalent Al atoms to form NiLu3Al3Ni6 cuboctahedra that share corners with three equivalent AlLu3Ni9 cuboctahedra, corners with twelve equivalent NiLu5AlNi6 cuboctahedra, edges with six equivalent NiLu3Al3Ni6 cuboctahedra, faces with three equivalent AlLu3Ni9 cuboctahedra, and faces with twenty NiLu5AlNi6 cuboctahedra. All Ni–Al bond lengths are 2.87 Å. In the third Ni site, Ni is bonded to six equivalent Lu and six equivalent Ni atoms to form NiLu6Ni6 cuboctahedra that share corners with six equivalent AlLu3Ni9 cuboctahedra, corners with twelve equivalent NiLu5AlNi6 cuboctahedra, edges with six equivalent NiLu6Ni6 cuboctahedra, and faces with twenty NiLu5AlNi6 cuboctahedra. Al is bonded to three equivalent Lu and nine Ni atoms to form distorted AlLu3Ni9 cuboctahedra that share corners with twenty-one NiLu5AlNi6 cuboctahedra, edges with six equivalent AlLu3Ni9 cuboctahedra, and faces with twenty-one NiLu5AlNi6 cuboctahedra.

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Materials Data on Lu3AlNi8 by Materials Project

Lu3Ni8Al 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 12-coordinate geometry to nine equivalent Ni and three equivalent Al atoms. There are six shorter (2.81 Å) and three longer (3.03 Å) Lu–Ni bond lengths. All Lu–Al bond lengths are 2.97 Å. In the second Lu site, Lu is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.88 Å) and twelve longer (3.19 Å) Lu–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Lu, six Ni, and one Al atom to form distorted NiLu5AlNi6 cuboctahedra that share corners with two equivalent AlLu6Ni6 cuboctahedra, corners with fifteen equivalent NiLu5AlNi6 cuboctahedra, edges with eight equivalent NiLu5AlNi6 cuboctahedra, faces with three equivalent AlLu6Ni6 cuboctahedra, and faces with eleven equivalent NiLu5AlNi6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.44–2.54 Å. The Ni–Al bond length is 2.46 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Lu and six equivalent Ni atoms. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Lu and six equivalent Ni atoms. Al is bonded to six equivalent Lu and six equivalent Ni atoms to form distorted AlLu6Ni6 cuboctahedra that share corners with twelve equivalent NiLu5AlNi6 cuboctahedra, edges with six equivalent AlLu6Ni6 cuboctahedra, and faces with eighteen equivalent NiLu5AlNi6 cuboctahedra.

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Materials Data on Lu3(GeRh)2 by Materials Project

Lu3(RhGe)2 crystallizes in the orthorhombic Pbcm 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 four equivalent Rh and five Ge atoms. There are two shorter (2.99 Å) and two longer (3.01 Å) Lu–Rh bond lengths. There are a spread of Lu–Ge bond distances ranging from 2.93–3.27 Å. In the second Lu site, Lu is bonded in a 7-coordinate geometry to four equivalent Rh and five Ge atoms. There are a spread of Lu–Rh bond distances ranging from 2.87–3.07 Å. There are a spread of Lu–Ge bond distances ranging from 2.95–3.31 Å. Rh is bonded in a 9-coordinate geometry to six Lu and three Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.52–2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Lu and two equivalent Rh atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to eight Lu and four equivalent Rh atoms.

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Materials Data on Lu12In2Fe3 by Materials Project

Lu12Fe3In2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent In atoms. Both Lu–Fe bond lengths are 2.83 Å. Both Lu–In bond lengths are 3.47 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to two Fe and two equivalent In atoms. There are one shorter (2.86 Å) and one longer (2.87 Å) Lu–Fe bond lengths. There are one shorter (3.08 Å) and one longer (3.80 Å) Lu–In bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to eight Lu and one Fe atom. The Fe–Fe bond length is 2.16 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. In is bonded to twelve Lu atoms to form a mixture of distorted corner and face-sharing InLu12 cuboctahedra.

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Materials Data on Lu12Fe2Pb3 by Materials Project

Lu12Fe2Pb3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Pb atoms. Both Lu–Fe bond lengths are 2.82 Å. Both Lu–Pb bond lengths are 3.50 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to one Fe and three Pb atoms. The Lu–Fe bond length is 2.88 Å. There are a spread of Lu–Pb bond distances ranging from 3.14–3.73 Å. Fe is bonded in a 9-coordinate geometry to eight Lu and one Fe atom. The Fe–Fe bond length is 2.42 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. In the second Pb site, Pb is bonded to twelve Lu atoms to form a mixture of distorted corner and face-sharing PbLu12 cuboctahedra.

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Materials Data on LuMnSn2 by Materials Project

LuMnSn2 crystallizes in the orthorhombic Pbam 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 Sn atoms. There are a spread of Lu–Sn bond distances ranging from 3.04–3.31 Å. In the second Lu site, Lu is bonded to seven Sn atoms to form a mixture of distorted corner and edge-sharing LuSn7 pentagonal bipyramids. There are a spread of Lu–Sn bond distances ranging from 3.02–3.25 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.71–2.87 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.85 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Lu and two equivalent Mn atoms. In the second Sn site, Sn is bonded in a 2-coordinate geometry to six Lu and two equivalent Mn atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Lu and four Mn atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to five Lu and four Mn atoms. In the fifth Sn site, Sn is bonded in a 7-coordinate geometry to three Lu, three Mn, and one Sn atom. The Sn–Sn bond length is 2.93 Å.

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Materials Data on Lu3Fe2Si3 by Materials Project

Lu3Fe2Si3 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 5-coordinate geometry to four equivalent Fe and five Si atoms. All Lu–Fe bond lengths are 3.12 Å. There are a spread of Lu–Si bond distances ranging from 2.81–3.18 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to four equivalent Fe and seven Si atoms. There are a spread of Lu–Fe bond distances ranging from 2.95–3.03 Å. There are a spread of Lu–Si bond distances ranging from 2.88–3.25 Å. Fe is bonded in a 10-coordinate geometry to six Lu and four Si atoms. There are a spread of Fe–Si bond distances ranging from 2.30–2.54 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Lu and two equivalent Fe atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to six Lu, three equivalent Fe, and one Si atom. The Si–Si bond length is 2.70 Å.

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Materials Data on Lu2Ga5Ni12 by Materials Project

Lu2Ni12Ga5 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 eighteen Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.86–3.26 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to twelve Ni and eight Ga atoms. There are six shorter (2.93 Å) and six longer (3.12 Å) Lu–Ni bond lengths. There are two shorter (2.96 Å) and six longer (3.18 Å) Lu–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to two Lu, six Ni, and four Ga atoms to form distorted NiLu2Ga4Ni6 cuboctahedra that share corners with four equivalent GaLu2Ga2Ni8 cuboctahedra, corners with twenty NiLu2Ga4Ni6 cuboctahedra, edges with two equivalent GaLu2Ga2Ni8 cuboctahedra, edges with three NiLu3Ga3Ni6 cuboctahedra, faces with four equivalent GaLu2Ga2Ni8 cuboctahedra, and faces with seventeen NiLu2Ga4Ni6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.52–2.67 Å. There are two shorter (2.47 Å) and two longer (2.86 Å) Ni–Ga bond lengths. In the second Ni site, Ni is bonded to three Lu, six Ni, and three Ga atoms to form distorted NiLu3Ga3Ni6 cuboctahedra that share corners with five equivalent GaLu2Ga2Ni8 cuboctahedra, corners with eighteen NiLu3Ga3Ni6 cuboctahedra, edges with three equivalent GaLu2Ga2Ni8 cuboctahedra, edges with seven NiLu3Ga3Ni6 cuboctahedra, faces with two equivalent GaLu2Ga2Ni8 cuboctahedra, and faces with eighteen NiLu2Ga4Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.43 Å. There are two shorter (2.42 Å) and one longer (2.62 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to one Lu, nine Ni, and four Ga atoms. There are one shorter (2.37 Å) and three longer (2.58 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to two equivalent Lu, eight Ni, and two equivalent Ga atoms to form distorted GaLu2Ga2Ni8 cuboctahedra that share corners with four equivalent GaLu2Ga2Ni8 cuboctahedra, corners with eighteen NiLu3Ga3Ni6 cuboctahedra, edges with ten NiLu3Ga3Ni6 cuboctahedra, faces with six equivalent GaLu2Ga2Ni8 cuboctahedra, and faces with twelve NiLu2Ga4Ni6 cuboctahedra.

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Materials Data on Lu6FeSb2 by Materials Project

Lu6FeSb2 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 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Lu–Fe bond lengths are 2.76 Å. Both Lu–Sb bond lengths are 3.15 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Lu–Fe bond length is 3.12 Å. All Lu–Sb bond lengths are 3.21 Å. Fe is bonded in a 9-coordinate geometry to nine Lu atoms. Sb is bonded in a 9-coordinate geometry to nine Lu atoms.

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Materials Data on Lu6Sb2Mo by Materials Project

Lu6MoSb2 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 5-coordinate geometry to one Mo and four equivalent Sb atoms. The Lu–Mo bond length is 3.12 Å. All Lu–Sb bond lengths are 3.27 Å. In the second Lu site, Lu is bonded to two equivalent Mo and two equivalent Sb atoms to form a mixture of distorted corner and edge-sharing LuSb2Mo2 tetrahedra. Both Lu–Mo bond lengths are 2.88 Å. Both Lu–Sb bond lengths are 3.11 Å. Mo is bonded in a 9-coordinate geometry to nine Lu atoms. Sb is bonded in a 9-coordinate geometry to nine Lu atoms.

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Materials Data on Lu5SbPd2 by Materials Project

Lu5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted LuSb2Pd3 trigonal bipyramids that share corners with four equivalent LuSb2Pd4 octahedra, corners with twelve equivalent LuSb2Pd3 trigonal bipyramids, edges with seven equivalent LuSb2Pd3 trigonal bipyramids, faces with two equivalent LuSb2Pd4 octahedra, and a faceface with one LuSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 44–63°. There are one shorter (2.94 Å) and two longer (2.95 Å) Lu–Pd bond lengths. Both Lu–Sb bond lengths are 3.20 Å. In the second Lu site, Lu is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted LuSb2Pd4 octahedra that share corners with six equivalent LuSb2Pd4 octahedra, corners with sixteen equivalent LuSb2Pd3 trigonal bipyramids, and faces with eight equivalent LuSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–48°. All Lu–Pd bond lengths are 2.93 Å. Both Lu–Sb bond lengths are 3.38 Å. Pd is bonded in a 8-coordinate geometry to eight Lu atoms. Sb is bonded in a 10-coordinate geometry to ten Lu atoms.

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Materials Data on Lu3Al2 by Materials Project

Lu3Al2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Lu–Al bond lengths are 3.23 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.03 Å) and four longer (3.06 Å) Lu–Al bond lengths. In the third Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.00 Å) and four longer (3.14 Å) Lu–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Lu and two equivalent Al atoms. There are one shorter (2.73 Å) and one longer (2.94 Å) Al–Al bond lengths.

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Materials Data on Li2(LuGe)3 by Materials Project

Li2(LuGe)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to four equivalent Lu and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing LiLu4Ge4 tetrahedra. There are a spread of Li–Lu bond distances ranging from 3.16–3.30 Å. There are a spread of Li–Ge bond distances ranging from 2.52–2.68 Å. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to five Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.88–3.42 Å. In the second Lu site, Lu is bonded in a 4-coordinate geometry to four equivalent Li and six Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.97–3.09 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li and seven Lu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, five Lu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

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Materials Data on Lu5Ir2 by Materials Project

Lu5Ir2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Ir atoms to form distorted edge-sharing LuIr4 tetrahedra. There are two shorter (2.82 Å) and two longer (2.88 Å) Lu–Ir bond lengths. In the second Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Ir atoms. There are a spread of Lu–Ir bond distances ranging from 2.81–2.96 Å. In the third Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Ir atoms. There are a spread of Lu–Ir bond distances ranging from 2.72–3.23 Å. Ir is bonded in a 8-coordinate geometry to eight Lu atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Lu3Th by Materials Project

ThLu3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Lu atoms to form ThLu12 cuboctahedra that share corners with four equivalent ThLu12 cuboctahedra, corners with eight equivalent LuLu8Th4 cuboctahedra, edges with eight equivalent ThLu12 cuboctahedra, edges with sixteen equivalent LuLu8Th4 cuboctahedra, faces with four equivalent ThLu12 cuboctahedra, and faces with fourteen LuLu8Th4 cuboctahedra. There are eight shorter (3.49 Å) and four longer (3.53 Å) Th–Lu bond lengths. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Th and eight Lu atoms to form LuLu8Th4 cuboctahedra that share corners with twelve equivalent LuLu8Th4 cuboctahedra, edges with eight equivalent ThLu12 cuboctahedra, edges with sixteen LuLu8Th4 cuboctahedra, faces with four equivalent ThLu12 cuboctahedra, and faces with fourteen LuLu8Th4 cuboctahedra. There are four shorter (3.49 Å) and four longer (3.53 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded to four equivalent Th and eight equivalent Lu atoms to form LuLu8Th4 cuboctahedra that share corners with four equivalent LuLu8Th4 cuboctahedra, corners with eight equivalent ThLu12 cuboctahedra, edges with twenty-four LuLu8Th4 cuboctahedra, faces with six equivalent ThLu12 cuboctahedra, and faces with twelve LuLu8Th4 cuboctahedra.

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