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DOE OSTI2020

Materials Data on Y7FeI12 by Materials Project

Y7FeI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to one Fe and five I atoms to form a mixture of distorted edge and corner-sharing YFeI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Fe bond length is 2.62 Å. There are a spread of Y–I bond distances ranging from 3.10–3.44 Å. In the second Y site, Y is bonded to six equivalent I atoms to form edge-sharing YI6 octahedra. All Y–I bond lengths are 3.05 Å. Fe is bonded in an octahedral geometry to six equivalent Y atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three equivalent Y atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Y atoms.

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Materials Data on Y2Co17 by Materials Project

Y2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Y–Co bond distances ranging from 2.91–3.15 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.95–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two Y and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.67 Å. In the second Co site, Co is bonded to two equivalent Y and ten Co atoms to form CoY2Co10 cuboctahedra that share corners with fourteen CoY3Co9 cuboctahedra, edges with six equivalent CoY3Co9 cuboctahedra, and faces with ten CoY2Co10 cuboctahedra. There are four shorter (2.41 Å) and two longer (2.56 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 2-coordinate geometry to one Y and thirteen Co atoms. There are one shorter (2.32 Å) and three longer (2.61 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to three Y and nine Co atoms to form distorted CoY3Co9 cuboctahedra that share corners with fifteen CoY3Co9 cuboctahedra, edges with eight CoY3Co9 cuboctahedra, and faces with ten CoY2Co10 cuboctahedra. Both Co–Co bond lengths are 2.42 Å.

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Materials Data on YNi4B by Materials Project

YNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Y–Ni bond lengths are 2.88 Å. All Y–B bond lengths are 2.87 Å. In the second Y site, Y is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Y–Ni bond lengths are 2.87 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Y and nine Ni atoms. There are six shorter (2.49 Å) and three longer (2.87 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Y, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Y and six equivalent Ni atoms.

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Materials Data on TbY3 by Materials Project

TbY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve Y atoms to form TbY12 cuboctahedra that share corners with four equivalent TbY12 cuboctahedra, corners with eight equivalent YTb4Y8 cuboctahedra, edges with eight equivalent TbY12 cuboctahedra, edges with sixteen equivalent YTb4Y8 cuboctahedra, faces with four equivalent TbY12 cuboctahedra, and faces with fourteen YTb4Y8 cuboctahedra. All Tb–Y bond lengths are 3.58 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Tb and eight Y atoms to form YTb4Y8 cuboctahedra that share corners with twelve equivalent YTb4Y8 cuboctahedra, edges with eight equivalent TbY12 cuboctahedra, edges with sixteen YTb4Y8 cuboctahedra, faces with four equivalent TbY12 cuboctahedra, and faces with fourteen YTb4Y8 cuboctahedra. All Y–Y bond lengths are 3.58 Å. In the second Y site, Y is bonded to four equivalent Tb and eight equivalent Y atoms to form YTb4Y8 cuboctahedra that share corners with four equivalent YTb4Y8 cuboctahedra, corners with eight equivalent TbY12 cuboctahedra, edges with twenty-four YTb4Y8 cuboctahedra, faces with six equivalent TbY12 cuboctahedra, and faces with twelve YTb4Y8 cuboctahedra.

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Materials Data on SmY3 by Materials Project

SmY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Y atoms to form SmY12 cuboctahedra that share corners with four equivalent SmY12 cuboctahedra, corners with eight equivalent YSm4Y8 cuboctahedra, edges with eight equivalent SmY12 cuboctahedra, edges with sixteen equivalent YSm4Y8 cuboctahedra, faces with four equivalent SmY12 cuboctahedra, and faces with fourteen YSm4Y8 cuboctahedra. There are four shorter (3.59 Å) and eight longer (3.60 Å) Sm–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Sm and eight Y atoms to form YSm4Y8 cuboctahedra that share corners with twelve equivalent YSm4Y8 cuboctahedra, edges with eight equivalent SmY12 cuboctahedra, edges with sixteen YSm4Y8 cuboctahedra, faces with four equivalent SmY12 cuboctahedra, and faces with fourteen YSm4Y8 cuboctahedra. There are four shorter (3.59 Å) and four longer (3.60 Å) Y–Y bond lengths. In the second Y site, Y is bonded to four equivalent Sm and eight equivalent Y atoms to form YSm4Y8 cuboctahedra that share corners with four equivalent YSm4Y8 cuboctahedra, corners with eight equivalent SmY12 cuboctahedra, edges with twenty-four YSm4Y8 cuboctahedra, faces with six equivalent SmY12 cuboctahedra, and faces with twelve YSm4Y8 cuboctahedra.

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Materials Data on NdY3 by Materials Project

NdY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded to twelve Y atoms to form NdY12 cuboctahedra that share corners with four equivalent NdY12 cuboctahedra, corners with eight equivalent YNd4Y8 cuboctahedra, edges with eight equivalent NdY12 cuboctahedra, edges with sixteen equivalent YNd4Y8 cuboctahedra, faces with four equivalent NdY12 cuboctahedra, and faces with fourteen YNd4Y8 cuboctahedra. All Nd–Y bond lengths are 3.61 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Nd and eight Y atoms to form YNd4Y8 cuboctahedra that share corners with twelve equivalent YNd4Y8 cuboctahedra, edges with eight equivalent NdY12 cuboctahedra, edges with sixteen YNd4Y8 cuboctahedra, faces with four equivalent NdY12 cuboctahedra, and faces with fourteen YNd4Y8 cuboctahedra. All Y–Y bond lengths are 3.61 Å. In the second Y site, Y is bonded to four equivalent Nd and eight equivalent Y atoms to form YNd4Y8 cuboctahedra that share corners with four equivalent YNd4Y8 cuboctahedra, corners with eight equivalent NdY12 cuboctahedra, edges with twenty-four YNd4Y8 cuboctahedra, faces with six equivalent NdY12 cuboctahedra, and faces with twelve YNd4Y8 cuboctahedra.

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Materials Data on PrY3 by Materials Project

PrY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve Y atoms to form PrY12 cuboctahedra that share corners with four equivalent PrY12 cuboctahedra, corners with eight equivalent YPr4Y8 cuboctahedra, edges with eight equivalent PrY12 cuboctahedra, edges with sixteen equivalent YPr4Y8 cuboctahedra, faces with four equivalent PrY12 cuboctahedra, and faces with fourteen YPr4Y8 cuboctahedra. All Pr–Y bond lengths are 3.62 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Pr and eight Y atoms to form YPr4Y8 cuboctahedra that share corners with twelve equivalent YPr4Y8 cuboctahedra, edges with eight equivalent PrY12 cuboctahedra, edges with sixteen YPr4Y8 cuboctahedra, faces with four equivalent PrY12 cuboctahedra, and faces with fourteen YPr4Y8 cuboctahedra. All Y–Y bond lengths are 3.62 Å. In the second Y site, Y is bonded to four equivalent Pr and eight equivalent Y atoms to form YPr4Y8 cuboctahedra that share corners with four equivalent YPr4Y8 cuboctahedra, corners with eight equivalent PrY12 cuboctahedra, edges with twenty-four YPr4Y8 cuboctahedra, faces with six equivalent PrY12 cuboctahedra, and faces with twelve YPr4Y8 cuboctahedra.

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Materials Data on CeY3 by Materials Project

CeY3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve Y atoms to form CeY12 cuboctahedra that share corners with four equivalent CeY12 cuboctahedra, corners with eight equivalent YCe4Y8 cuboctahedra, edges with eight equivalent CeY12 cuboctahedra, edges with sixteen equivalent YCe4Y8 cuboctahedra, faces with four equivalent CeY12 cuboctahedra, and faces with fourteen YCe4Y8 cuboctahedra. There are eight shorter (3.54 Å) and four longer (3.55 Å) Ce–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Ce and eight Y atoms to form YCe4Y8 cuboctahedra that share corners with twelve equivalent YCe4Y8 cuboctahedra, edges with eight equivalent CeY12 cuboctahedra, edges with sixteen YCe4Y8 cuboctahedra, faces with four equivalent CeY12 cuboctahedra, and faces with fourteen YCe4Y8 cuboctahedra. There are four shorter (3.54 Å) and four longer (3.55 Å) Y–Y bond lengths. In the second Y site, Y is bonded to four equivalent Ce and eight equivalent Y atoms to form YCe4Y8 cuboctahedra that share corners with four equivalent YCe4Y8 cuboctahedra, corners with eight equivalent CeY12 cuboctahedra, edges with twenty-four YCe4Y8 cuboctahedra, faces with six equivalent CeY12 cuboctahedra, and faces with twelve YCe4Y8 cuboctahedra.

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Materials Data on NaY3 by Materials Project

NaY3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Y atoms to form NaY12 cuboctahedra that share corners with four equivalent NaY12 cuboctahedra, edges with eight equivalent NaY12 cuboctahedra, edges with sixteen equivalent YNa4Y8 cuboctahedra, faces with four equivalent NaY12 cuboctahedra, and faces with eight equivalent YNa4Y8 cuboctahedra. There are four shorter (3.44 Å) and eight longer (3.67 Å) Na–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Na and eight Y atoms to form YNa4Y8 cuboctahedra that share corners with twelve equivalent YNa4Y8 cuboctahedra, edges with eight equivalent NaY12 cuboctahedra, edges with eight equivalent YNa4Y8 cuboctahedra, faces with four equivalent NaY12 cuboctahedra, and faces with ten equivalent YNa4Y8 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.67 Å) Y–Y bond lengths. In the second Y site, Y is bonded in a distorted square co-planar geometry to four equivalent Na and eight equivalent Y atoms.

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Materials Data on YNiP by Materials Project

YNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of face and edge-sharing YNi6P6 cuboctahedra. All Y–Ni bond lengths are 3.01 Å. All Y–P bond lengths are 2.95 Å. In the second Y site, Y is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of face and edge-sharing YNi6P6 cuboctahedra. All Y–Ni bond lengths are 2.96 Å. All Y–P bond lengths are 3.01 Å. Ni is bonded in a 3-coordinate geometry to six Y and three equivalent P atoms. All Ni–P bond lengths are 2.26 Å. P is bonded in a 3-coordinate geometry to six Y and three equivalent Ni atoms.

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Materials Data on Y2(OF)3 by Materials Project

Y2(OF)3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted q6 geometry to three equivalent O and six equivalent F atoms. All Y–O bond lengths are 2.37 Å. All Y–F bond lengths are 2.44 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to six equivalent O and three equivalent F atoms. All Y–O bond lengths are 2.34 Å. All Y–F bond lengths are 2.32 Å. O is bonded in a trigonal non-coplanar geometry to three Y atoms. F is bonded in a trigonal non-coplanar geometry to three Y atoms.

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Materials Data on YLuTh2(BRh)16 by Materials Project

Th2LuY(RhB)16 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Th–Rh bond distances ranging from 3.00–3.20 Å. There are a spread of Th–B bond distances ranging from 3.04–3.19 Å. In the second Th site, Th is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Th–Rh bond distances ranging from 3.00–3.21 Å. There are a spread of Th–B bond distances ranging from 3.04–3.20 Å. Lu is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Lu–Rh bond distances ranging from 2.94–3.19 Å. There are a spread of Lu–B bond distances ranging from 3.04–3.16 Å. Y is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Y–Rh bond distances ranging from 2.96–3.20 Å. There are a spread of Y–B bond distances ranging from 3.04–3.16 Å. There are eight inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to one Th, two equivalent Lu, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.24 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Th, one Y, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.23–2.30 Å. In the third Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Lu, one Y, and five B atoms. There are two shorter (2.22 Å) and three longer (2.23 Å) Rh–B bond lengths. In the fourth Rh site, Rh is bonded in a 5-coordinate geometry to three Th and five B atoms. There are four shorter (2.24 Å) and one longer (2.28 Å) Rh–B bond lengths. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Th, one Lu, and five B atoms. There are four shorter (2.23 Å) and one longer (2.31 Å) Rh–B bond lengths. In the sixth Rh site, Rh is bonded in a 5-coordinate geometry to one Th, two equivalent Y, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.25 Å. In the seventh Rh site, Rh is bonded in a 5-coordinate geometry to three Th and five B atoms. There are four shorter (2.24 Å) and one longer (2.28 Å) Rh–B bond lengths. In the eighth Rh site, Rh is bonded in a 5-coordinate geometry to one Lu, two equivalent Y, and five B atoms. There are four shorter (2.22 Å) and one longer (2.26 Å) Rh–B bond lengths. There are eight inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to one Th, two equivalent Lu, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent Th, one Y, five Rh, and one B atom. The B–B bond length is 1.79 Å. In the third B site, B is bonded in a 6-coordinate geometry to three Th, five Rh, and one B atom. The B–B bond length is 1.77 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to one Lu, two equivalent Y, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to two equivalent Th, one Lu, five Rh, and one B atom. The B–B bond length is 1.79 Å. In the sixth B site, B is bonded in a 6-coordinate geometry to one Th, two equivalent Y, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the seventh B site, B is bonded in a 6-coordinate geometry to two equivalent Lu, one Y, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the eighth B site, B is bonded in a 6-coordinate geometry to three Th, five Rh, and one B atom. The B–B bond length is 1.77 Å.

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Materials Data on LiY3 by Materials Project

LiY3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Y atoms. All Li–Y bond lengths are 3.38 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Y atoms. All Y–Y bond lengths are 3.38 Å. In the second Y site, Y is bonded in a distorted body-centered cubic geometry to eight equivalent Y atoms.

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Materials Data on K2Y2(PO4)3 by Materials Project

K2Y2(PO4)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 3.08–3.34 Å. In the second K site, K is bonded in a 6-coordinate geometry to six O atoms. There are three shorter (3.06 Å) and three longer (3.31 Å) K–O bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to six O atoms to form YO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Y–O bond lengths are 2.26 Å. In the second Y site, Y is bonded to six O atoms to form YO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.23 Å) and three longer (2.26 Å) Y–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four YO6 octahedra. The corner-sharing octahedra tilt angles range from 12–45°. All P–O bond lengths are 1.55 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one K, one Y, and one P atom. In the second O site, O is bonded in a 3-coordinate geometry to one K, one Y, and one P atom. In the third O site, O is bonded in a distorted linear geometry to two K, one Y, and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Y, and one P atom.

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Materials Data on PmY3 by Materials Project

PmY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pm is bonded to twelve Y atoms to form PmY12 cuboctahedra that share corners with four equivalent PmY12 cuboctahedra, corners with eight equivalent YPm4Y8 cuboctahedra, edges with eight equivalent PmY12 cuboctahedra, edges with sixteen equivalent YPm4Y8 cuboctahedra, faces with four equivalent PmY12 cuboctahedra, and faces with fourteen YPm4Y8 cuboctahedra. All Pm–Y bond lengths are 3.60 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Pm and eight Y atoms to form YPm4Y8 cuboctahedra that share corners with twelve equivalent YPm4Y8 cuboctahedra, edges with eight equivalent PmY12 cuboctahedra, edges with sixteen YPm4Y8 cuboctahedra, faces with four equivalent PmY12 cuboctahedra, and faces with fourteen YPm4Y8 cuboctahedra. All Y–Y bond lengths are 3.60 Å. In the second Y site, Y is bonded to four equivalent Pm and eight equivalent Y atoms to form YPm4Y8 cuboctahedra that share corners with four equivalent YPm4Y8 cuboctahedra, corners with eight equivalent PmY12 cuboctahedra, edges with twenty-four YPm4Y8 cuboctahedra, faces with six equivalent PmY12 cuboctahedra, and faces with twelve YPm4Y8 cuboctahedra.

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Materials Data on Y5Ni2Bi by Materials Project

Y5Ni2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Ni and two equivalent Bi atoms to form distorted YNi4Bi2 octahedra that share corners with six equivalent YNi4Bi2 octahedra, corners with sixteen equivalent YNi3Bi2 trigonal bipyramids, and faces with eight equivalent YNi3Bi2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–51°. All Y–Ni bond lengths are 3.02 Å. Both Y–Bi bond lengths are 3.41 Å. In the second Y site, Y is bonded to three equivalent Ni and two equivalent Bi atoms to form distorted YNi3Bi2 trigonal bipyramids that share corners with four equivalent YNi4Bi2 octahedra, corners with twelve equivalent YNi3Bi2 trigonal bipyramids, edges with seven equivalent YNi3Bi2 trigonal bipyramids, faces with two equivalent YNi4Bi2 octahedra, and a faceface with one YNi3Bi2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–62°. There are two shorter (2.90 Å) and one longer (2.98 Å) Y–Ni bond lengths. Both Y–Bi bond lengths are 3.31 Å. Ni is bonded in a 8-coordinate geometry to eight Y atoms. Bi is bonded in a distorted q6 geometry to ten Y atoms.

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Materials Data on Y5Al3C4 by Materials Project

Y5Al3C4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to two equivalent Al and three C atoms. Both Y–Al bond lengths are 3.11 Å. There are two shorter (2.45 Å) and one longer (2.51 Å) Y–C bond lengths. In the second Y site, Y is bonded to six C atoms to form edge-sharing YC6 octahedra. There are two shorter (2.51 Å) and four longer (2.70 Å) Y–C bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a trigonal planar geometry to three C atoms. All Al–C bond lengths are 2.07 Å. In the second Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Y atoms. There are two inequivalent C sites. In the first C site, C is bonded to four Y and two equivalent Al atoms to form a mixture of distorted corner and edge-sharing CY4Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–58°. In the second C site, C is bonded to five Y and one Al atom to form a mixture of corner and edge-sharing CY5Al octahedra. The corner-sharing octahedra tilt angles range from 0–58°.

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Materials Data on Y3Th by Materials Project

ThY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Y atoms to form ThY12 cuboctahedra that share corners with four equivalent ThY12 cuboctahedra, corners with eight equivalent YY8Th4 cuboctahedra, edges with eight equivalent ThY12 cuboctahedra, edges with sixteen equivalent YY8Th4 cuboctahedra, faces with four equivalent ThY12 cuboctahedra, and faces with fourteen YY8Th4 cuboctahedra. There are eight shorter (3.58 Å) and four longer (3.61 Å) Th–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Th and eight Y atoms to form YY8Th4 cuboctahedra that share corners with twelve equivalent YY8Th4 cuboctahedra, edges with eight equivalent ThY12 cuboctahedra, edges with sixteen YY8Th4 cuboctahedra, faces with four equivalent ThY12 cuboctahedra, and faces with fourteen YY8Th4 cuboctahedra. There are four shorter (3.58 Å) and four longer (3.61 Å) Y–Y bond lengths. In the second Y site, Y is bonded to four equivalent Th and eight equivalent Y atoms to form YY8Th4 cuboctahedra that share corners with four equivalent YY8Th4 cuboctahedra, corners with eight equivalent ThY12 cuboctahedra, edges with twenty-four YY8Th4 cuboctahedra, faces with six equivalent ThY12 cuboctahedra, and faces with twelve YY8Th4 cuboctahedra.

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