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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BRh2 by Materials Project

Rh2B is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent B atoms. There are one shorter (2.09 Å) and two longer (2.34 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent B atoms. There are a spread of Rh–B bond distances ranging from 2.12–2.47 Å. B is bonded in a 7-coordinate geometry to seven Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn5(BRh2)4 by Materials Project

Zn5(Rh2B)4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Zn and four equivalent B atoms. All Rh–Zn bond lengths are 2.85 Å. All Rh–B bond lengths are 2.22 Å. In the second Rh site, Rh is bonded in a distorted body-centered cubic geometry to six Zn and two equivalent B atoms. There are a spread of Rh–Zn bond distances ranging from 2.61–2.74 Å. Both Rh–B bond lengths are 2.13 Å. In the third Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Zn and four equivalent B atoms. All Rh–Zn bond lengths are 2.72 Å. All Rh–B bond lengths are 2.23 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to eight Rh atoms. In the second Zn site, Zn is bonded in a 11-coordinate geometry to eight Rh, one Zn, and two equivalent B atoms. The Zn–Zn bond length is 2.49 Å. Both Zn–B bond lengths are 2.69 Å. In the third Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. B is bonded in a 6-coordinate geometry to six Rh and one Zn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe(BRh2)3 by Materials Project

FeRh6B3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Fe is bonded in a 2-coordinate geometry to two B atoms. There are one shorter (2.20 Å) and one longer (2.21 Å) Fe–B bond lengths. There are nine inequivalent Rh sites. In the first Rh site, Rh is bonded in a 3-coordinate geometry to three B atoms. There are a spread of Rh–B bond distances ranging from 2.10–2.23 Å. In the second Rh site, Rh is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.11 Å) and two longer (2.20 Å) Rh–B bond lengths. In the third Rh site, Rh is bonded in a 3-coordinate geometry to three B atoms. There are a spread of Rh–B bond distances ranging from 2.11–2.23 Å. In the fourth Rh site, Rh is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.09 Å) and two longer (2.20 Å) Rh–B bond lengths. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to three B atoms. There are two shorter (2.21 Å) and one longer (2.22 Å) Rh–B bond lengths. In the sixth Rh site, Rh is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.16 Å) and two longer (2.17 Å) Rh–B bond lengths. In the seventh Rh site, Rh is bonded in a distorted water-like geometry to two equivalent B atoms. Both Rh–B bond lengths are 2.13 Å. In the eighth Rh site, Rh is bonded in a 2-coordinate geometry to two B atoms. Both Rh–B bond lengths are 2.16 Å. In the ninth Rh site, Rh is bonded in a distorted water-like geometry to two equivalent B atoms. Both Rh–B bond lengths are 2.12 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to one Fe and five Rh atoms. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent Fe and four Rh atoms. In the third B site, B is bonded in a 6-coordinate geometry to six Rh atoms. In the fourth B site, B is bonded in a 6-coordinate geometry to six Rh atoms.

36 MATERIALS SCIENCE↗