Materials Data on Ga21Rh4 by Materials Project

Abstract

Rh4Ga21 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two Rh4Ga21 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 2.45–2.73 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 2.48–2.78 Å. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a linear geometry to two equivalent Rh and eight equivalent Ga atoms. There are four shorter (2.86 Å) and four longer (2.87 Å) Ga–Ga bond lengths. In the second 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 third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh and three equivalent Ga atoms. There are one shorter (2.75 Å) and two longer (2.89 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a distorted single-bond geometry to one Rh atom. In the fifth 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 2.75–2.87 Å. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh and seven Ga atoms. There are one shorter (2.72 Å) and one longer (2.76 Å) Ga–Ga bond lengths. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh and seven Ga atoms. The Ga–Ga bond length is 2.70 Å.