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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrBPt3 by Materials Project

PrPt3B crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Pr3+ is bonded to twelve Pt2- atoms to form a mixture of distorted face and corner-sharing PrPt12 cuboctahedra. There are a spread of Pr–Pt bond distances ranging from 2.93–3.33 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to four equivalent Pr3+ and two equivalent B3+ atoms. Both Pt–B bond lengths are 2.24 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Pr3+ and one B3+ atom. The Pt–B bond length is 2.11 Å. B3+ is bonded in a 5-coordinate geometry to five Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrBPt4 by Materials Project

PrPt4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt and six equivalent B3- atoms. All Pr–Pt bond lengths are 3.16 Å. All Pr–B bond lengths are 3.19 Å. In the second Pr3+ site, Pr3+ is bonded in a hexagonal planar geometry to six equivalent Pt atoms. All Pr–Pt bond lengths are 3.19 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to three equivalent Pr3+ and nine Pt atoms. There are six shorter (2.81 Å) and three longer (3.19 Å) Pt–Pt bond lengths. In the second Pt site, Pt is bonded in an L-shaped geometry to two equivalent Pr3+, two equivalent Pt, and two equivalent B3- atoms. Both Pt–B bond lengths are 2.21 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Pr3+ and six equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrBPt2 by Materials Project

PrPt2B crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Pr3+ is bonded to eight equivalent Pt and four equivalent B3- atoms to form a mixture of face, edge, and corner-sharing PrB4Pt8 cuboctahedra. There are four shorter (3.12 Å) and four longer (3.14 Å) Pr–Pt bond lengths. All Pr–B bond lengths are 3.07 Å. Pt is bonded in a distorted bent 120 degrees geometry to four equivalent Pr3+ and two equivalent B3- atoms. Both Pt–B bond lengths are 2.13 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Pr3+ and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗