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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdPPd by Materials Project

NdPdP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to six equivalent Pd and six equivalent P atoms to form a mixture of face and edge-sharing NdP6Pd6 cuboctahedra. All Nd–Pd bond lengths are 3.14 Å. All Nd–P bond lengths are 3.14 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent P atoms. All Pd–P bond lengths are 2.45 Å. P is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3(P3Pd10)2 by Materials Project

Nd3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to sixteen Pd atoms to form distorted NdPd16 tetrahedra that share edges with six equivalent NdPd16 tetrahedra and faces with four equivalent NdP6Pd12 cuboctahedra. There are four shorter (2.92 Å) and twelve longer (3.37 Å) Nd–Pd bond lengths. In the second Nd site, Nd is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing NdP6Pd12 cuboctahedra. All Nd–Pd bond lengths are 3.04 Å. All Nd–P bond lengths are 3.24 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Nd, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.08 Å. All Pd–P bond lengths are 2.52 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Nd, nine Pd, and two equivalent P atoms. There are one shorter (2.68 Å) and four longer (3.04 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.41 Å. P is bonded in a 9-coordinate geometry to one Nd and eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(PPd)2 by Materials Project

Nd(PdP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd2+ is bonded to eight equivalent P3- atoms to form NdP8 hexagonal bipyramids that share corners with sixteen equivalent PdP4 tetrahedra, edges with four equivalent NdP8 hexagonal bipyramids, edges with eight equivalent PdP4 tetrahedra, and faces with four equivalent NdP8 hexagonal bipyramids. All Nd–P bond lengths are 3.15 Å. Pd2+ is bonded to four equivalent P3- atoms to form PdP4 tetrahedra that share corners with eight equivalent NdP8 hexagonal bipyramids, corners with four equivalent PdP4 tetrahedra, edges with four equivalent NdP8 hexagonal bipyramids, and edges with four equivalent PdP4 tetrahedra. All Pd–P bond lengths are 2.49 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Nd2+, four equivalent Pd2+, and one P3- atom. The P–P bond length is 2.26 Å.

36 MATERIALS SCIENCE↗