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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↗

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↗

Materials Data on YbAu by Materials Project

AuYb is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Yb–Au bond lengths are 3.10 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗

Materials Data on YbAu3 by Materials Project

YbAu3 is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Yb3+ is bonded to twelve Au1- atoms to form a mixture of face, edge, and corner-sharing YbAu12 cuboctahedra. There are a spread of Yb–Au bond distances ranging from 2.92–3.08 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 12-coordinate geometry to four equivalent Yb3+ atoms. In the second Au1- site, Au1- is bonded in a distorted see-saw-like geometry to four equivalent Yb3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Yb5Au3 by Materials Project

Yb5Au3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to five Au atoms to form a mixture of distorted corner, edge, and face-sharing YbAu5 trigonal bipyramids. There are a spread of Yb–Au bond distances ranging from 3.00–3.27 Å. In the second Yb site, Yb is bonded in a distorted square co-planar geometry to six Au atoms. There are four shorter (3.03 Å) and two longer (3.60 Å) Yb–Au bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 8-coordinate geometry to eight Yb atoms. In the second Au site, Au is bonded in a 10-coordinate geometry to ten Yb atoms.

36 MATERIALS SCIENCE↗

Materials Data on Yb7Au3 by Materials Project

Yb7Au3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted trigonal non-coplanar geometry to three equivalent Au atoms. All Yb–Au bond lengths are 2.96 Å. In the second Yb site, Yb is bonded in a distorted water-like geometry to two equivalent Au atoms. Both Yb–Au bond lengths are 3.00 Å. In the third Yb site, Yb is bonded in a 3-coordinate geometry to three equivalent Au atoms. There are two shorter (3.00 Å) and one longer (3.06 Å) Yb–Au bond lengths. Au is bonded in a 6-coordinate geometry to six Yb atoms.

36 MATERIALS SCIENCE↗

Materials Data on Yb5Au4 by Materials Project

Yb5Au4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Yb–Au bond distances ranging from 3.08–3.71 Å. In the second Yb site, Yb is bonded to six Au atoms to form a mixture of distorted edge, face, and corner-sharing YbAu6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 37–41°. There are a spread of Yb–Au bond distances ranging from 2.96–3.08 Å. In the third Yb site, Yb is bonded to six Au atoms to form a mixture of face and corner-sharing YbAu6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Yb–Au bond distances ranging from 2.99–3.19 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to eight Yb and one Au atom. The Au–Au bond length is 2.92 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to eight Yb and one Au atom. In the third Au site, Au is bonded in a 7-coordinate geometry to eight Yb atoms.

36 MATERIALS SCIENCE↗

Materials Data on Yb2Au by Materials Project

Yb2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Au atoms to form a mixture of distorted edge and corner-sharing YbAu4 tetrahedra. There are a spread of Yb–Au bond distances ranging from 2.99–3.11 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Au atoms. There are a spread of Yb–Au bond distances ranging from 3.16–3.53 Å. Au is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗

Materials Data on YbAu3 by Materials Project

YbAu3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb3+ is bonded to twelve equivalent Au1- atoms to form a mixture of corner and face-sharing YbAu12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.07 Å) Yb–Au bond lengths. Au1- is bonded in a distorted see-saw-like geometry to four equivalent Yb3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on YbAu by Materials Project

AuYb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Yb–Au bond distances ranging from 3.04–3.14 Å. Au is bonded in a 7-coordinate geometry to seven equivalent Yb atoms.

36 MATERIALS SCIENCE↗