Materials Data on Ga16Rh3 by Materials Project

Abstract

Rh3Ga16 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two Rh3Ga16 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.44–2.72 Å. In the second Rh site, Rh is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.45–2.78 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a linear geometry to two Rh and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.83–2.88 Å. In the second Ga site, Ga is bonded in a distorted single-bond geometry to one Rh atom. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.71–2.86 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh and three equivalent Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.90 Å. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh and seven Ga atoms. The Ga–Ga bond length is 2.71 Å.