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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaSb2Au by Materials Project

LaAuSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.29 Å) and four longer (3.44 Å) La–Sb bond lengths. Au3+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing AuSb4 tetrahedra. All Au–Sb bond lengths are 2.89 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.18 Å. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Au3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSb2Au by Materials Project

LaAuSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a distorted hexagonal planar geometry to six Sb3- atoms. There are a spread of La–Sb bond distances ranging from 3.24–3.27 Å. Au3+ is bonded in a distorted hexagonal planar geometry to six Sb3- atoms. There are four shorter (3.24 Å) and two longer (3.25 Å) Au–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to two equivalent La3+ and four equivalent Au3+ atoms. In the second Sb3- site, Sb3- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Au3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Sb3Au by Materials Project

(LaSb)2AuSb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule, one gold molecule, and two LaSb clusters. In each LaSb cluster, La3+ is bonded in a single-bond geometry to one Sb3- atom. The La–Sb bond length is 2.71 Å. Sb3- is bonded in a single-bond geometry to one La3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSbAu2 by Materials Project

LaAu2Sb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LaAu2Sb ribbons oriented in the (1, 0, 0) direction. La3+ is bonded in a linear geometry to two equivalent Au atoms. Both La–Au bond lengths are 2.70 Å. Au is bonded in a linear geometry to one La3+ and one Sb3- atom. The Au–Sb bond length is 2.69 Å. Sb3- is bonded in a linear geometry to two equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Sb4Au3 by Materials Project

La3Au3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to four equivalent Au1- and eight equivalent Sb+1.50- atoms. All La–Au bond lengths are 3.14 Å. There are four shorter (3.52 Å) and four longer (3.58 Å) La–Sb bond lengths. Au1- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Sb+1.50- atoms. All Au–Sb bond lengths are 2.88 Å. Sb+1.50- is bonded in a 3-coordinate geometry to six equivalent La3+ and three equivalent Au1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2SbAu3 by Materials Project

La2Au3Sb is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to ten Au1- and two equivalent Sb3- atoms to form a mixture of edge and face-sharing LaSb2Au10 cuboctahedra. There are a spread of La–Au bond distances ranging from 3.33–3.40 Å. Both La–Sb bond lengths are 3.53 Å. In the second La3+ site, La3+ is bonded to eight Au1- and four equivalent Sb3- atoms to form a mixture of edge and face-sharing LaSb4Au8 cuboctahedra. There are a spread of La–Au bond distances ranging from 3.34–3.56 Å. All La–Sb bond lengths are 3.40 Å. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 9-coordinate geometry to six La3+ and three Au1- atoms. There are two shorter (2.74 Å) and one longer (2.75 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded in a 2-coordinate geometry to six La3+, one Au1-, and two equivalent Sb3- atoms. Both Au–Sb bond lengths are 2.76 Å. In the third Au1- site, Au1- is bonded in a 9-coordinate geometry to six La3+, two equivalent Au1-, and one Sb3- atom. The Au–Sb bond length is 2.80 Å. Sb3- is bonded in a 3-coordinate geometry to six La3+ and three Au1- atoms.

36 MATERIALS SCIENCE↗