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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GdB2Ru3 by Materials Project

GdRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to two equivalent Gd, twelve equivalent Ru, and six equivalent B atoms. Both Gd–Gd bond lengths are 3.03 Å. All Gd–Ru bond lengths are 3.15 Å. All Gd–B bond lengths are 3.19 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Gd and four equivalent B atoms. All Ru–B bond lengths are 2.20 Å. B is bonded in a 6-coordinate geometry to three equivalent Gd and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdB4Ru by Materials Project

GdRuB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Gd3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Gd–B bond distances ranging from 2.65–2.79 Å. Ru3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Ru–B bond distances ranging from 2.27–2.41 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Ru3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.82–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Ru3+, and three B+1.50- atoms. There is one shorter (1.75 Å) and one longer (1.79 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Gd3+, four equivalent Ru3+, and three B+1.50- atoms. There is one shorter (1.71 Å) and one longer (1.76 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Ru3+, and three B+1.50- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(BRu)2 by Materials Project

Gd(RuB)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to four equivalent Ru and six equivalent B atoms. All Gd–Ru bond lengths are 3.00 Å. There are two shorter (2.82 Å) and four longer (3.02 Å) Gd–B bond lengths. Ru is bonded in a 4-coordinate geometry to two equivalent Gd and four equivalent B atoms. There are two shorter (2.07 Å) and two longer (2.16 Å) Ru–B bond lengths. B is bonded in a 7-coordinate geometry to three equivalent Gd and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗