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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaSbPd by Materials Project

LaPdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of face and edge-sharing LaSb6Pd6 cuboctahedra. All La–Pd bond lengths are 3.38 Å. All La–Sb bond lengths are 3.38 Å. Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.69 Å. Sb is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSbPd by Materials Project

LaPdSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. La is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of distorted edge and face-sharing LaSb6Pd6 cuboctahedra. There are three shorter (3.20 Å) and three longer (3.57 Å) La–Pd bond lengths. There are three shorter (3.31 Å) and three longer (3.45 Å) La–Sb bond lengths. Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.72 Å. Sb is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSbPd by Materials Project

LaPdSb crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sb atoms. There are three shorter (3.18 Å) and three longer (3.45 Å) La–Pd bond lengths. There are three shorter (3.36 Å) and three longer (3.67 Å) La–Sb bond lengths. Pd is bonded in a 10-coordinate geometry to six equivalent La, three equivalent Pd, and one Sb atom. All Pd–Pd bond lengths are 2.89 Å. The Pd–Sb bond length is 3.21 Å. Sb is bonded in a 10-coordinate geometry to six equivalent La, one Pd, and three equivalent Sb atoms. All Sb–Sb bond lengths are 2.89 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSb2Pd by Materials Project

LaPdSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.39 Å) and four longer (3.41 Å) La–Sb bond lengths. Pd2+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of corner and edge-sharing PdSb4 tetrahedra. All Pd–Sb bond lengths are 2.71 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.23 Å. In the second Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Pd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSbPd2 by Materials Project

LaPd2Sb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LaPd2Sb ribbons oriented in the (1, 0, 0) direction. La is bonded in a linear geometry to two equivalent Pd atoms. Both La–Pd bond lengths are 2.34 Å. Pd is bonded in a linear geometry to one La and one Sb atom. The Pd–Sb bond length is 2.57 Å. Sb is bonded in a linear geometry to two equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSb3Pd by Materials Project

LaPdSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Sb+1.67- atoms. There are a spread of La–Sb bond distances ranging from 3.30–3.39 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Sb+1.67- atoms. There are a spread of La–Sb bond distances ranging from 3.27–3.57 Å. Pd2+ is bonded to six Sb+1.67- atoms to form a mixture of edge, face, and corner-sharing PdSb6 octahedra. The corner-sharing octahedra tilt angles range from 42–48°. There are a spread of Pd–Sb bond distances ranging from 2.73–2.83 Å. There are five inequivalent Sb+1.67- sites. In the first Sb+1.67- site, Sb+1.67- is bonded in a 7-coordinate geometry to four La3+, two equivalent Pd2+, and one Sb+1.67- atom. The Sb–Sb bond length is 3.05 Å. In the second Sb+1.67- site, Sb+1.67- is bonded in a 5-coordinate geometry to one La3+ and four equivalent Pd2+ atoms. In the third Sb+1.67- site, Sb+1.67- is bonded in a 6-coordinate geometry to one La3+, four equivalent Pd2+, and one Sb+1.67- atom. In the fourth Sb+1.67- site, Sb+1.67- is bonded in a 6-coordinate geometry to four La3+ and two equivalent Pd2+ atoms. In the fifth Sb+1.67- site, Sb+1.67- is bonded in a 8-coordinate geometry to four La3+ and four equivalent Sb+1.67- atoms. There are a spread of Sb–Sb bond distances ranging from 3.13–3.35 Å.

36 MATERIALS SCIENCE↗