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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on EuBPt4 by Materials Project

EuPt4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt and six equivalent B3- atoms. All Eu–Pt bond lengths are 3.17 Å. All Eu–B bond lengths are 3.22 Å. In the second Eu3+ site, Eu3+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt atoms. All Eu–Pt bond lengths are 3.22 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in an L-shaped geometry to two equivalent Eu3+, two equivalent Pt, and two equivalent B3- atoms. Both Pt–Pt bond lengths are 2.82 Å. Both Pt–B bond lengths are 2.21 Å. In the second Pt site, Pt is bonded in a 12-coordinate geometry to three equivalent Eu3+ and nine Pt atoms. All Pt–Pt bond lengths are 3.22 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Eu3+ and six equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3B2Pt7 by Materials Project

Eu3Pt7B2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Eu+2.67+ sites. In the first Eu+2.67+ site, Eu+2.67+ is bonded in a 12-coordinate geometry to twelve Pt2- atoms. There are a spread of Eu–Pt bond distances ranging from 3.29–3.36 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded to twelve equivalent Pt2- atoms to form EuPt12 cuboctahedra that share edges with six equivalent EuPt12 cuboctahedra, edges with six equivalent PtEu6Pt6 cuboctahedra, and faces with six equivalent BPt6 pentagonal pyramids. All Eu–Pt bond lengths are 3.20 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted L-shaped geometry to five Eu+2.67+, one Pt2-, and two equivalent B3+ atoms. The Pt–Pt bond length is 2.86 Å. There are one shorter (2.20 Å) and one longer (2.25 Å) Pt–B bond lengths. In the second Pt2- site, Pt2- is bonded to six equivalent Eu+2.67+ and six equivalent Pt2- atoms to form PtEu6Pt6 cuboctahedra that share corners with six equivalent BPt6 pentagonal pyramids, edges with six equivalent EuPt12 cuboctahedra, edges with six equivalent PtEu6Pt6 cuboctahedra, and faces with two equivalent BPt6 pentagonal pyramids. B3+ is bonded to six equivalent Pt2- atoms to form distorted BPt6 pentagonal pyramids that share corners with three equivalent PtEu6Pt6 cuboctahedra, edges with three equivalent BPt6 pentagonal pyramids, a faceface with one PtEu6Pt6 cuboctahedra, and faces with three equivalent EuPt12 cuboctahedra.

36 MATERIALS SCIENCE↗