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At least 721 records · Page 40
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DOE OSTI2020

Materials Data on YbCuBi by Materials Project

YbCuBi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to six equivalent Cu and six equivalent Bi atoms to form a mixture of edge and face-sharing YbCu6Bi6 cuboctahedra. All Yb–Cu bond lengths are 3.32 Å. All Yb–Bi bond lengths are 3.32 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Bi atoms. All Cu–Bi bond lengths are 2.65 Å. Bi is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3Sn13Rh4 by Materials Project

Yb3Rh4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All Yb–Rh bond lengths are 3.46 Å. All Yb–Sn bond lengths are 3.44 Å. Rh is bonded in a 6-coordinate geometry to three equivalent Yb and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.68 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Yb, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 3.35 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

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Materials Data on YbBiPd by Materials Project

YbPdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted corner and face-sharing YbBi6Pd4 tetrahedra. All Yb–Pd bond lengths are 2.93 Å. All Yb–Bi bond lengths are 3.39 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.93 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbBiAu by Materials Project

YbAuBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Bi atoms. All Yb–Au bond lengths are 3.07 Å. All Yb–Bi bond lengths are 3.07 Å. Au is bonded to four equivalent Yb atoms to form AuYb4 tetrahedra that share corners with four equivalent BiYb4 tetrahedra, corners with twelve equivalent AuYb4 tetrahedra, and edges with six equivalent BiYb4 tetrahedra. Bi is bonded to four equivalent Yb atoms to form BiYb4 tetrahedra that share corners with four equivalent AuYb4 tetrahedra, corners with twelve equivalent BiYb4 tetrahedra, and edges with six equivalent AuYb4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSnPd by Materials Project

YbPdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five equivalent Pd and six equivalent Sn atoms. There are a spread of Yb–Pd bond distances ranging from 3.05–3.20 Å. There are one shorter (3.27 Å) and five longer (3.36 Å) Yb–Sn bond lengths. Pd is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.72–2.81 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent Pd atoms.

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DOE OSTI2020

Materials Data on YbSnPd2 by Materials Project

YbPd2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Yb–Pd bond lengths are 2.91 Å. All Yb–Sn bond lengths are 3.37 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.91 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Yb and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2CdPd2 by Materials Project

Yb2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.90 Å) and four longer (3.00 Å) Yb–Pd bond lengths. All Yb–Cd bond lengths are 3.42 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Yb and two equivalent Cd atoms. Both Pd–Cd bond lengths are 2.92 Å. Cd is bonded to eight equivalent Yb and four equivalent Pd atoms to form a mixture of distorted corner and face-sharing CdYb8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
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Materials Data on YbCuGe by Materials Project

YbCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing YbCu6Ge6 cuboctahedra. All Yb–Cu bond lengths are 3.05 Å. All Yb–Ge bond lengths are 3.05 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2Yb5B3O13 by Materials Project

Li2Yb5O4(BO3)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.77 Å. In the second Li1+ site, Li1+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing LiO5 trigonal bipyramids. There are a spread of Li–O bond distances ranging from 2.09–2.22 Å. There are five inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to seven O2- atoms to form distorted YbO7 pentagonal bipyramids that share corners with two equivalent YbO6 octahedra and edges with three YbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 57°. There are a spread of Yb–O bond distances ranging from 2.31–2.49 Å. In the second Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.28–2.50 Å. In the third Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with two equivalent YbO7 pentagonal bipyramids, edges with two equivalent YbO6 octahedra, and edges with two equivalent YbO7 pentagonal bipyramids. There are a spread of Yb–O bond distances ranging from 2.32–2.39 Å. In the fourth Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.27–2.73 Å. In the fifth Yb3+ site, Yb3+ is bonded to seven O2- atoms to form distorted YbO7 pentagonal bipyramids that share edges with two equivalent YbO6 octahedra and edges with five YbO7 pentagonal bipyramids. There are a spread of Yb–O bond distances ranging from 2.25–2.35 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.41 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.39 Å) B–O bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Yb3+, and one B3+ atom to form distorted corner-sharing OLi2YbB tetrahedra. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Yb3+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Yb3+ and one B3+ atom. In the fourth O2- site, O2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Yb3+ and one B3+ atom. In the sixth O2- site, O2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three Li1+, one Yb3+, and one B3+ atom. In the eighth O2- site, O2- is bonded to one Li1+, two equivalent Yb3+, and one B3+ atom to form a mixture of distorted edge and corner-sharing OLiYb2B tetrahedra. In the ninth O2- site, O2- is bonded to four Yb3+ atoms to form distorted OYb4 tetrahedra that share corners with four OYb4 tetrahedra, corners with three equivalent OLi3YbB trigonal bipyramids, and edges with two equivalent OYb4 tetrahedra. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Yb3+, and one B3+ atom. In the eleventh O2- site, O2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one B3+ atom. In the thirteenth O2- site, O2- is bonded to three equivalent Li1+, one Yb3+, and one B3+ atom to form distorted OLi3YbB trigonal bipyramids that share corners with three equivalent OYb4 tetrahedra, corners with two equivalent OLi3YbB trigonal bipyramids, and edges with two equivalent OLi3YbB trigonal bipyramids.

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Materials Data on Yb2InSn by Materials Project

Yb2InSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent In and four equivalent Sn atoms. All Yb–In bond lengths are 3.31 Å. All Yb–Sn bond lengths are 3.31 Å. In is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbHgPb by Materials Project

YbHgPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to six equivalent Hg and six equivalent Pb atoms to form a mixture of face and edge-sharing YbHg6Pb6 cuboctahedra. All Yb–Hg bond lengths are 3.49 Å. All Yb–Pb bond lengths are 3.49 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Pb atoms. All Hg–Pb bond lengths are 2.96 Å. Pb is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCuGe by Materials Project

YbCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Yb is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing YbCu6Ge6 cuboctahedra. There are three shorter (3.01 Å) and three longer (3.08 Å) Yb–Cu bond lengths. There are three shorter (3.03 Å) and three longer (3.06 Å) Yb–Ge bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.49 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
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Materials Data on YbGeIr by Materials Project

YbIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 9-coordinate geometry to four equivalent Ir and five equivalent Ge atoms. There are three shorter (3.02 Å) and one longer (3.07 Å) Yb–Ir bond lengths. There are a spread of Yb–Ge bond distances ranging from 3.00–3.09 Å. Ir is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Ge atoms. There are one shorter (2.54 Å) and three longer (2.55 Å) Ir–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Ir atoms.

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Materials Data on YbAlPd by Materials Project

YbPdAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five equivalent Pd and six equivalent Al atoms. There are a spread of Yb–Pd bond distances ranging from 2.97–3.11 Å. There are a spread of Yb–Al bond distances ranging from 3.17–3.36 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Al atoms. There are a spread of Pd–Al bond distances ranging from 2.61–2.71 Å. Al is bonded to six equivalent Yb and four equivalent Pd atoms to form a mixture of distorted edge, corner, and face-sharing AlYb6Pd4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2Ag7 by Materials Project

Yb2Ag7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of Yb–Ag bond distances ranging from 3.20–3.40 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to four equivalent Yb and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.84–3.23 Å. In the second Ag site, Ag is bonded to four equivalent Yb and eight Ag atoms to form a mixture of edge, face, and corner-sharing AgYb4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.75–2.77 Å. In the third Ag site, Ag is bonded to four equivalent Yb and eight Ag atoms to form a mixture of edge, face, and corner-sharing AgYb4Ag8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb4Sb6Rh7 by Materials Project

Yb4Rh7Sb6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Yb is bonded to six equivalent Rh and six equivalent Sb atoms to form YbSb6Rh6 cuboctahedra that share corners with twelve equivalent YbSb6Rh6 cuboctahedra, faces with six equivalent YbSb6Rh6 cuboctahedra, and faces with two equivalent RhSb6 octahedra. All Yb–Rh bond lengths are 3.10 Å. All Yb–Sb bond lengths are 3.15 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Yb and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.71 Å. In the second Rh site, Rh is bonded to six equivalent Sb atoms to form RhSb6 octahedra that share faces with eight equivalent YbSb6Rh6 cuboctahedra. All Rh–Sb bond lengths are 2.78 Å. Sb is bonded in a 9-coordinate geometry to four equivalent Yb and five Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbInCu4 by Materials Project

YbInCu4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent In atoms. All Yb–Cu bond lengths are 2.98 Å. All Yb–In bond lengths are 3.11 Å. Cu is bonded to three equivalent Yb, six equivalent Cu, and three equivalent In atoms to form a mixture of face, edge, and corner-sharing CuYb3In3Cu6 cuboctahedra. There are three shorter (2.53 Å) and three longer (2.54 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 2.97 Å. In is bonded in a 4-coordinate geometry to four equivalent Yb and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb4Ge6Rh7 by Materials Project

Yb4Rh7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Yb is bonded to six equivalent Rh and six equivalent Ge atoms to form YbGe6Rh6 cuboctahedra that share corners with twelve equivalent YbGe6Rh6 cuboctahedra, faces with six equivalent YbGe6Rh6 cuboctahedra, and faces with two equivalent RhGe6 octahedra. All Yb–Rh bond lengths are 2.95 Å. All Yb–Ge bond lengths are 3.01 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Ge atoms to form RhGe6 octahedra that share faces with eight equivalent YbGe6Rh6 cuboctahedra. All Rh–Ge bond lengths are 2.67 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Ge atoms. All Rh–Ge bond lengths are 2.57 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Yb and five Rh atoms.

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