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At least 145 records · Page 8
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DOE OSTI2020

Materials Data on Yb(SiRh)2 by Materials Project

YbRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Yb–Si bond lengths are 3.16 Å. Rh3+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing RhSi4 tetrahedra. All Rh–Si bond lengths are 2.39 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Yb2+, four equivalent Rh3+, and one Si4- atom. The Si–Si bond length is 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(MgSb)2 by Materials Project

Yb(MgSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent YbSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent YbSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–56°. There are three shorter (2.87 Å) and one longer (2.94 Å) Mg–Sb bond lengths. Yb2+ is bonded to six equivalent Sb3- atoms to form YbSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent YbSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Yb–Sb bond lengths are 3.26 Å. Sb3- is bonded to four equivalent Mg2+ and three equivalent Yb2+ atoms to form a mixture of distorted edge and corner-sharing SbYb3Mg4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbC2 by Materials Project

YbC2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded in a distorted q4 geometry to ten equivalent C1- atoms. There are two shorter (2.58 Å) and eight longer (2.77 Å) Yb–C bond lengths. C1- is bonded in a 6-coordinate geometry to five equivalent Yb2+ and one C1- atom. The C–C bond length is 1.26 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbAu4 by Materials Project

YbAu4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent Au+0.50- atoms to form a mixture of edge and face-sharing YbAu12 cuboctahedra. There are eight shorter (3.02 Å) and four longer (3.03 Å) Yb–Au bond lengths. Au+0.50- is bonded in a 12-coordinate geometry to three equivalent Yb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCuSb by Materials Project

YbCuSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Sb3- atoms to form a mixture of distorted face, edge, and corner-sharing YbSb6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are three shorter (3.11 Å) and three longer (3.29 Å) Yb–Sb bond lengths. Cu1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. There are three shorter (2.68 Å) and one longer (3.07 Å) Cu–Sb bond lengths. Sb3- is bonded in a 10-coordinate geometry to six equivalent Yb2+ and four equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbO by Materials Project

YbO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing YbO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–O bond lengths are 2.37 Å. O2- is bonded to six equivalent Yb2+ atoms to form a mixture of edge and corner-sharing OYb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(FeP3)4 by Materials Project

YbFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent P1- atoms to form YbP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Yb–P bond lengths are 2.99 Å. Fe+2.50+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent YbP12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. All Fe–P bond lengths are 2.24 Å. P1- is bonded in a 2-coordinate geometry to one Yb2+, two equivalent Fe+2.50+, and two equivalent P1- atoms. There are one shorter (2.28 Å) and one longer (2.34 Å) P–P bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(Ni2P)2 by Materials Project

YbNi4P2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent P3- atoms to form a mixture of corner and edge-sharing YbP6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two shorter (2.78 Å) and four longer (2.85 Å) Yb–P bond lengths. Ni1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. There are two shorter (2.28 Å) and one longer (2.30 Å) Ni–P bond lengths. P3- is bonded in a 9-coordinate geometry to three equivalent Yb2+ and six equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(SiAu)2 by Materials Project

YbAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded in a 8-coordinate geometry to eight equivalent Au1- atoms. All Yb–Au bond lengths are 3.32 Å. Au1- is bonded in a 4-coordinate geometry to four equivalent Yb2+ and four equivalent Si atoms. All Au–Si bond lengths are 2.57 Å. Si is bonded in a 5-coordinate geometry to four equivalent Au1- and one Si atom. The Si–Si bond length is 2.30 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbAu2 by Materials Project

YbAu2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded in a distorted q6 geometry to ten equivalent Au1- atoms. There are eight shorter (3.04 Å) and two longer (3.05 Å) Yb–Au bond lengths. Au1- is bonded in a 10-coordinate geometry to five equivalent Yb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbTe by Materials Project

YbTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing YbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–Te bond lengths are 3.18 Å. Te2- is bonded to six equivalent Yb2+ atoms to form a mixture of edge and corner-sharing TeYb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbS by Materials Project

YbS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing YbS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–S bond lengths are 2.83 Å. S2- is bonded to six equivalent Yb2+ atoms to form a mixture of edge and corner-sharing SYb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbMnSi by Materials Project

YbMnSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Yb–Si bond distances ranging from 2.97–3.07 Å. Mn2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.41–2.64 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Yb2+ and four equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbBr2 by Materials Project

YbBr2 is Hydrophilite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing YbBr6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.90 Å) and two longer (2.92 Å) Yb–Br bond lengths. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Yb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb4YbI6 by Materials Project

Rb4YbI6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent I1- atoms. All Rb–I bond lengths are 3.67 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent I1- atoms. There are a spread of Rb–I bond distances ranging from 3.82–4.00 Å. Yb2+ is bonded in an octahedral geometry to six equivalent I1- atoms. All Yb–I bond lengths are 3.15 Å. I1- is bonded to five Rb1+ and one Yb2+ atom to form a mixture of distorted edge, face, and corner-sharing IRb5Yb octahedra. The corner-sharing octahedra tilt angles range from 0–65°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSe by Materials Project

YbSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–Se bond lengths are 2.96 Å. Se2- is bonded to six equivalent Yb2+ atoms to form a mixture of edge and corner-sharing SeYb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(FeSi)2 by Materials Project

Yb(FeSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Yb–Si bond lengths are 3.10 Å. Fe3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.27 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Yb2+, four equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbPt3 by Materials Project

YbPt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent Pt+0.67- atoms to form a mixture of face and corner-sharing YbPt12 cuboctahedra. All Yb–Pt bond lengths are 2.88 Å. Pt+0.67- is bonded in a distorted square co-planar geometry to four equivalent Yb2+ atoms.

36 MATERIALS SCIENCE↗