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At least 973 records · Page 54
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DOE OSTI2020

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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Materials Data on Y5SbPd2 by Materials Project

Y5Pd2Sb 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 Pd and two equivalent Sb atoms to form distorted YSb2Pd4 octahedra that share corners with six equivalent YSb2Pd4 octahedra, corners with sixteen equivalent YSb2Pd3 trigonal bipyramids, and faces with eight equivalent YSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Y–Pd bond lengths are 3.02 Å. Both Y–Sb bond lengths are 3.45 Å. In the second Y site, Y is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted YSb2Pd3 trigonal bipyramids that share corners with four equivalent YSb2Pd4 octahedra, corners with twelve equivalent YSb2Pd3 trigonal bipyramids, edges with seven equivalent YSb2Pd3 trigonal bipyramids, faces with two equivalent YSb2Pd4 octahedra, and a faceface with one YSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 44–63°. There are two shorter (3.01 Å) and one longer (3.02 Å) Y–Pd bond lengths. Both Y–Sb bond lengths are 3.29 Å. Pd is bonded in a 8-coordinate geometry to eight Y atoms. Sb is bonded in a 10-coordinate geometry to ten Y atoms.

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Materials Data on Y6MnBi2 by Materials Project

Y6MnBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to two equivalent Mn and two equivalent Bi atoms to form a mixture of distorted edge and corner-sharing YMn2Bi2 tetrahedra. Both Y–Mn bond lengths are 2.91 Å. Both Y–Bi bond lengths are 3.27 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to one Mn and four equivalent Bi atoms. The Y–Mn bond length is 3.30 Å. All Y–Bi bond lengths are 3.34 Å. Mn is bonded in a 9-coordinate geometry to nine Y atoms. Bi is bonded in a 9-coordinate geometry to nine Y atoms.

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Materials Data on NaY3 by Materials Project

NaY3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Y atoms. There are eight shorter (3.47 Å) and six longer (4.01 Å) Na–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Y atoms. All Y–Y bond lengths are 3.47 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Y atoms.

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Materials Data on YbY3 by Materials Project

YbY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Y atoms to form YbY12 cuboctahedra that share corners with four equivalent YbY12 cuboctahedra, corners with eight equivalent YYb4Y8 cuboctahedra, edges with eight equivalent YbY12 cuboctahedra, edges with sixteen equivalent YYb4Y8 cuboctahedra, faces with four equivalent YbY12 cuboctahedra, and faces with fourteen YYb4Y8 cuboctahedra. There are four shorter (3.59 Å) and eight longer (3.62 Å) Yb–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Yb and eight Y atoms to form YYb4Y8 cuboctahedra that share corners with twelve equivalent YYb4Y8 cuboctahedra, edges with eight equivalent YbY12 cuboctahedra, edges with sixteen YYb4Y8 cuboctahedra, faces with four equivalent YbY12 cuboctahedra, and faces with fourteen YYb4Y8 cuboctahedra. There are four shorter (3.59 Å) and four longer (3.62 Å) Y–Y bond lengths. In the second Y site, Y is bonded to four equivalent Yb and eight equivalent Y atoms to form YYb4Y8 cuboctahedra that share corners with four equivalent YYb4Y8 cuboctahedra, corners with eight equivalent YbY12 cuboctahedra, edges with twenty-four YYb4Y8 cuboctahedra, faces with six equivalent YbY12 cuboctahedra, and faces with twelve YYb4Y8 cuboctahedra.

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Materials Data on EuY3 by Materials Project

EuY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded to twelve Y atoms to form EuY12 cuboctahedra that share corners with four equivalent EuY12 cuboctahedra, corners with eight equivalent YEu4Y8 cuboctahedra, edges with eight equivalent EuY12 cuboctahedra, edges with sixteen equivalent YEu4Y8 cuboctahedra, faces with four equivalent EuY12 cuboctahedra, and faces with fourteen YEu4Y8 cuboctahedra. All Eu–Y bond lengths are 3.64 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Eu and eight Y atoms to form YEu4Y8 cuboctahedra that share corners with twelve equivalent YEu4Y8 cuboctahedra, edges with eight equivalent EuY12 cuboctahedra, edges with sixteen YEu4Y8 cuboctahedra, faces with four equivalent EuY12 cuboctahedra, and faces with fourteen YEu4Y8 cuboctahedra. All Y–Y bond lengths are 3.64 Å. In the second Y site, Y is bonded to four equivalent Eu and eight equivalent Y atoms to form YEu4Y8 cuboctahedra that share corners with four equivalent YEu4Y8 cuboctahedra, corners with eight equivalent EuY12 cuboctahedra, edges with twenty-four YEu4Y8 cuboctahedra, faces with six equivalent EuY12 cuboctahedra, and faces with twelve YEu4Y8 cuboctahedra.

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Materials Data on YAlCu by Materials Project

AlCuY crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to six equivalent Cu and three equivalent Al atoms. All Y–Cu bond lengths are 3.17 Å. All Y–Al bond lengths are 2.84 Å. In the second Y site, Y is bonded in a distorted q6 geometry to three equivalent Cu and six equivalent Al atoms. All Y–Cu bond lengths are 2.87 Å. All Y–Al bond lengths are 2.82 Å. Cu is bonded in a 7-coordinate geometry to five Y and two equivalent Al atoms. Both Cu–Al bond lengths are 2.61 Å. Al is bonded in a 6-coordinate geometry to four Y, two equivalent Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.82 Å.

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Materials Data on Y5Ni2Sb by Materials Project

Y5Ni2Sb 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 Sb atoms to form distorted YNi4Sb2 octahedra that share corners with six equivalent YNi4Sb2 octahedra, corners with sixteen equivalent YNi3Sb2 trigonal bipyramids, and faces with eight equivalent YNi3Sb2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–52°. All Y–Ni bond lengths are 3.01 Å. Both Y–Sb bond lengths are 3.41 Å. In the second Y site, Y is bonded to three equivalent Ni and two equivalent Sb atoms to form distorted YNi3Sb2 trigonal bipyramids that share corners with four equivalent YNi4Sb2 octahedra, corners with twelve equivalent YNi3Sb2 trigonal bipyramids, edges with seven equivalent YNi3Sb2 trigonal bipyramids, faces with two equivalent YNi4Sb2 octahedra, and a faceface with one YNi3Sb2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–62°. There are two shorter (2.89 Å) and one longer (2.98 Å) Y–Ni bond lengths. Both Y–Sb bond lengths are 3.26 Å. Ni is bonded in a 9-coordinate geometry to eight Y and one Ni atom. The Ni–Ni bond length is 2.76 Å. Sb is bonded in a 10-coordinate geometry to ten Y atoms.

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Materials Data on YRh3 by Materials Project

Rh3Y 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 12-coordinate geometry to twelve Rh atoms. There are a spread of Y–Rh bond distances ranging from 3.02–3.32 Å. In the second Y site, Y is bonded in a distorted hexagonal planar geometry to eighteen Rh atoms. There are six shorter (3.04 Å) and twelve longer (3.42 Å) Y–Rh bond lengths. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded to five Y and seven Rh atoms to form a mixture of distorted face, edge, and corner-sharing RhY5Rh7 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.63–2.69 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Y and nine Rh atoms. All Rh–Rh bond lengths are 3.04 Å. In the third Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Y and nine Rh atoms. In the fourth Rh site, Rh is bonded to six equivalent Y and six equivalent Rh atoms to form RhY6Rh6 cuboctahedra that share corners with twelve equivalent RhY5Rh7 cuboctahedra, edges with six equivalent RhY6Rh6 cuboctahedra, and faces with eighteen equivalent RhY5Rh7 cuboctahedra.

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Materials Data on Y2SnAu2 by Materials Project

Y2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.95 Å) and four longer (3.11 Å) Y–Au bond lengths. All Y–Sn bond lengths are 3.55 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.99 Å) and four longer (3.03 Å) Y–Au bond lengths. All Y–Sn bond lengths are 3.47 Å. Au is bonded in a 9-coordinate geometry to six Y and two equivalent Sn atoms. Both Au–Sn bond lengths are 3.14 Å. Sn is bonded to eight Y and four equivalent Au atoms to form a mixture of distorted corner and face-sharing SnY8Au4 cuboctahedra.

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