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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdBPt3 by Materials Project

NdPt3B crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Nd3+ is bonded to twelve Pt2- atoms to form a mixture of distorted face and corner-sharing NdPt12 cuboctahedra. There are a spread of Nd–Pt bond distances ranging from 2.92–3.32 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to four equivalent Nd3+ and two equivalent B3+ atoms. Both Pt–B bond lengths are 2.23 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Nd3+ and one B3+ atom. The Pt–B bond length is 2.10 Å. B3+ is bonded in a 5-coordinate geometry to five Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdBPt2 by Materials Project

NdPt2B crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Nd3+ is bonded to eight equivalent Pt and four equivalent B3- atoms to form a mixture of face, edge, and corner-sharing NdB4Pt8 cuboctahedra. There are four shorter (3.10 Å) and four longer (3.15 Å) Nd–Pt bond lengths. All Nd–B bond lengths are 3.05 Å. Pt is bonded in a distorted bent 120 degrees geometry to four equivalent Nd3+ and two equivalent B3- atoms. Both Pt–B bond lengths are 2.12 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdBPt4 by Materials Project

NdPt4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a hexagonal planar geometry to six equivalent Pt atoms. All Nd–Pt bond lengths are 3.17 Å. In the second Nd3+ site, Nd3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt and six equivalent B3- atoms. All Nd–Pt bond lengths are 3.15 Å. All Nd–B bond lengths are 3.17 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to three equivalent Nd3+ and nine Pt atoms. There are six shorter (2.82 Å) and three longer (3.17 Å) Pt–Pt bond lengths. In the second Pt site, Pt is bonded in an L-shaped geometry to two equivalent Nd3+, two equivalent Pt, and two equivalent B3- atoms. Both Pt–B bond lengths are 2.22 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Nd3+ and six equivalent Pt atoms.

36 MATERIALS SCIENCE↗