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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaAsPd by Materials Project

LaPdAs 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 As atoms to form a mixture of face and edge-sharing LaAs6Pd6 cuboctahedra. All La–Pd bond lengths are 3.25 Å. All La–As bond lengths are 3.25 Å. Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent As atoms. All Pd–As bond lengths are 2.56 Å. As is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(AsPd)2 by Materials Project

LaPd2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded to eight equivalent As3- atoms to form LaAs8 hexagonal bipyramids that share corners with sixteen equivalent PdAs4 tetrahedra, edges with four equivalent LaAs8 hexagonal bipyramids, edges with eight equivalent PdAs4 tetrahedra, and faces with four equivalent LaAs8 hexagonal bipyramids. All La–As bond lengths are 3.34 Å. Pd2+ is bonded to four equivalent As3- atoms to form PdAs4 tetrahedra that share corners with eight equivalent LaAs8 hexagonal bipyramids, corners with four equivalent PdAs4 tetrahedra, edges with four equivalent LaAs8 hexagonal bipyramids, and edges with four equivalent PdAs4 tetrahedra. All Pd–As bond lengths are 2.57 Å. As3- is bonded in a 9-coordinate geometry to four equivalent La2+, four equivalent Pd2+, and one As3- atom. The As–As bond length is 2.54 Å.

36 MATERIALS SCIENCE↗