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DOE OSTI · 1274132

Materials Data on B4Rh5 by Materials Project

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Abstract

Rh5B4 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Rh5B4 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six B atoms. There are three shorter (2.17 Å) and three longer (2.31 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent B atoms. All Rh–B bond lengths are 2.08 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to six equivalent B atoms. All Rh–B bond lengths are 2.22 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six Rh and one B atom. The B–B bond length is 2.27 Å. In the second B site, B is bonded in a 6-coordinate geometry to six Rh and two B atoms. The B–B bond length is 2.21 Å.

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2020-07-18. Materials Data on B4Rh5 by Materials Project. https://doi.org/10.17188/1274132

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