Materials Data on Rb2GaSb2 by Materials Project

Abstract

Rb2GaSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Sb+2.50- atoms. There are a spread of Rb–Sb bond distances ranging from 3.87–4.20 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Sb+2.50- atoms. There are a spread of Rb–Sb bond distances ranging from 3.67–4.10 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Sb+2.50- atoms. There are a spread of Ga–Sb bond distances ranging from 2.63–2.68 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Sb+2.50- atoms. There are a spread of Ga–Sb bond distances ranging from 2.61–2.63 Å. There are four inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 2-coordinate geometry to six Rb1+ and two Ga3+ atoms. In the second Sb+2.50- site, Sb+2.50- is bonded in a 2-coordinate geometry to six Rb1+ and two Ga3+ atoms. In the third Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to six Rb1+, one Ga3+, and one Sb+2.50- atom. The Sb–Sb bond length is 2.88 Å. In the fourth Sb+2.50- site, Sb+2.50- is bonded in a 1-coordinate geometry to six Rb1+, one Ga3+, and one Sb+2.50- atom.