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At least 1,351 records · Page 75
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DOE OSTI2020

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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Materials Data on LiY3 by Materials Project

LiY3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Y atoms to form LiY12 cuboctahedra that share corners with four equivalent LiY12 cuboctahedra, edges with eight equivalent LiY12 cuboctahedra, edges with sixteen equivalent YLi4Y8 cuboctahedra, faces with four equivalent LiY12 cuboctahedra, and faces with eight equivalent YLi4Y8 cuboctahedra. There are four shorter (3.35 Å) and eight longer (3.56 Å) Li–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Li and eight Y atoms to form YLi4Y8 cuboctahedra that share corners with twelve equivalent YLi4Y8 cuboctahedra, edges with eight equivalent LiY12 cuboctahedra, edges with eight equivalent YLi4Y8 cuboctahedra, faces with four equivalent LiY12 cuboctahedra, and faces with ten equivalent YLi4Y8 cuboctahedra. There are four shorter (3.35 Å) and four longer (3.56 Å) Y–Y bond lengths. In the second Y site, Y is bonded in a distorted square co-planar geometry to four equivalent Li and eight equivalent Y atoms.

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Materials Data on Y2Fe17 by Materials Project

Y2Fe17 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 eighteen Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.99–3.29 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.93–3.20 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.36–2.78 Å. In the second Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form FeY2Fe10 cuboctahedra that share corners with fourteen FeY2Fe10 cuboctahedra, edges with six equivalent FeY3Fe9 cuboctahedra, and faces with ten FeY2Fe10 cuboctahedra. There are four shorter (2.44 Å) and four longer (2.47 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Y and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.59 Å. In the fourth Fe site, Fe is bonded to three Y and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeY3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.47 Å.

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Materials Data on LaY3 by Materials Project

LaY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded to twelve Y atoms to form LaY12 cuboctahedra that share corners with four equivalent LaY12 cuboctahedra, corners with eight equivalent YLa4Y8 cuboctahedra, edges with eight equivalent LaY12 cuboctahedra, edges with sixteen equivalent YLa4Y8 cuboctahedra, faces with four equivalent LaY12 cuboctahedra, and faces with fourteen YLa4Y8 cuboctahedra. There are eight shorter (3.63 Å) and four longer (3.65 Å) La–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent La and eight Y atoms to form YLa4Y8 cuboctahedra that share corners with twelve equivalent YLa4Y8 cuboctahedra, edges with eight equivalent LaY12 cuboctahedra, edges with sixteen YLa4Y8 cuboctahedra, faces with four equivalent LaY12 cuboctahedra, and faces with fourteen YLa4Y8 cuboctahedra. There are four shorter (3.63 Å) and four longer (3.65 Å) Y–Y bond lengths. In the second Y site, Y is bonded to four equivalent La and eight equivalent Y atoms to form YLa4Y8 cuboctahedra that share corners with four equivalent YLa4Y8 cuboctahedra, corners with eight equivalent LaY12 cuboctahedra, edges with twenty-four YLa4Y8 cuboctahedra, faces with six equivalent LaY12 cuboctahedra, and faces with twelve YLa4Y8 cuboctahedra.

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Materials Data on CeY4Mg5 by Materials Project

Mg5CeY4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Y atoms. All Mg–Ce bond lengths are 3.31 Å. All Mg–Y bond lengths are 3.29 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to eight Y atoms. All Mg–Y bond lengths are 3.31 Å. In the third Mg site, Mg is bonded in a body-centered cubic geometry to eight equivalent Y atoms. All Mg–Y bond lengths are 3.30 Å. Ce is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. There are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted body-centered cubic geometry to eight Mg atoms. In the second Y site, Y is bonded in a body-centered cubic geometry to eight Mg atoms.

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Materials Data on Y3SiS2 by Materials Project

Y3SiS2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to two equivalent Si and four equivalent S atoms to form a mixture of edge and corner-sharing YSi2S4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. Both Y–Si bond lengths are 2.82 Å. There are two shorter (2.82 Å) and two longer (2.85 Å) Y–S bond lengths. In the second Y site, Y is bonded to two equivalent Si and four equivalent S atoms to form a mixture of edge and corner-sharing YSi2S4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Y–Si bond lengths are 2.82 Å. All Y–S bond lengths are 2.83 Å. Si is bonded to six Y atoms to form SiY6 octahedra that share corners with two equivalent SiY6 octahedra, corners with four equivalent SY6 octahedra, edges with two equivalent SiY6 octahedra, and edges with ten equivalent SY6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. S is bonded to six Y atoms to form SY6 octahedra that share corners with two equivalent SiY6 octahedra, corners with four equivalent SY6 octahedra, edges with five equivalent SiY6 octahedra, and edges with seven equivalent SY6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.

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Materials Data on Y3Zn11 by Materials Project

Y3Zn11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to twelve Zn atoms to form distorted YZn12 cuboctahedra that share edges with two equivalent ZnY4Zn8 cuboctahedra and faces with two equivalent YZn12 cuboctahedra. There are four shorter (3.06 Å) and eight longer (3.26 Å) Y–Zn bond lengths. In the second Y site, Y is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Y–Zn bond distances ranging from 3.07–3.47 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Y and eight Zn atoms to form distorted ZnY4Zn8 cuboctahedra that share edges with two equivalent YZn12 cuboctahedra and faces with two equivalent ZnY4Zn8 cuboctahedra. There are four shorter (2.64 Å) and four longer (2.74 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Y and eight Zn atoms. There are two shorter (2.58 Å) and four longer (2.87 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five Y and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.48–2.72 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to four Y and six Zn atoms.

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Materials Data on Y5BiPt2 by Materials Project

Y5Pt2Bi 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 Pt and two equivalent Bi atoms to form distorted corner-sharing YBi2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Y–Pt bond lengths are 3.03 Å. Both Y–Bi bond lengths are 3.49 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Bi atoms. There are one shorter (2.96 Å) and two longer (2.99 Å) Y–Pt bond lengths. Both Y–Bi bond lengths are 3.35 Å. Pt is bonded in a 8-coordinate geometry to eight Y atoms. Bi is bonded in a 10-coordinate geometry to ten Y atoms.

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DOE OSTI2020

Materials Data on GdY3 by Materials Project

GdY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded to twelve Y atoms to form GdY12 cuboctahedra that share corners with four equivalent GdY12 cuboctahedra, corners with eight equivalent YGd4Y8 cuboctahedra, edges with eight equivalent GdY12 cuboctahedra, edges with sixteen equivalent YGd4Y8 cuboctahedra, faces with four equivalent GdY12 cuboctahedra, and faces with fourteen YGd4Y8 cuboctahedra. All Gd–Y bond lengths are 3.59 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Gd and eight Y atoms to form YGd4Y8 cuboctahedra that share corners with twelve equivalent YGd4Y8 cuboctahedra, edges with eight equivalent GdY12 cuboctahedra, edges with sixteen YGd4Y8 cuboctahedra, faces with four equivalent GdY12 cuboctahedra, and faces with fourteen YGd4Y8 cuboctahedra. All Y–Y bond lengths are 3.59 Å. In the second Y site, Y is bonded to four equivalent Gd and eight equivalent Y atoms to form YGd4Y8 cuboctahedra that share corners with four equivalent YGd4Y8 cuboctahedra, corners with eight equivalent GdY12 cuboctahedra, edges with twenty-four YGd4Y8 cuboctahedra, faces with six equivalent GdY12 cuboctahedra, and faces with twelve YGd4Y8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y6FeBi2 by Materials Project

Y6FeBi2 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 4-coordinate geometry to two equivalent Fe and two equivalent Bi atoms. Both Y–Fe bond lengths are 2.87 Å. Both Y–Bi bond lengths are 3.29 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to one Fe and four equivalent Bi atoms. The Y–Fe bond length is 3.31 Å. All Y–Bi bond lengths are 3.32 Å. Fe 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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