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All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2020

Materials Data on Fe9B4Rh3 by Materials Project

Fe9Rh3B4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.09–2.41 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.10–2.39 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.34 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.35 Å. In the fifth Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.13–2.61 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Rh–B bond distances ranging from 2.13–2.61 Å. In the second Rh site, Rh is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Rh–B bond distances ranging from 2.15–2.61 Å. In the third Rh site, Rh is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Rh–B bond distances ranging from 2.14–2.59 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to seven Fe and two equivalent Rh atoms. In the second B site, B is bonded in a 9-coordinate geometry to eight Fe and one Rh atom. In the third B site, B is bonded in a 9-coordinate geometry to six Fe and three Rh atoms. In the fourth B site, B is bonded in a 6-coordinate geometry to six Fe and three Rh atoms.

36 MATERIALS SCIENCE↗