Materials Data on Gd2Cr2C3 by Materials Project

Abstract

Gd2Cr2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd3+ is bonded in a 5-coordinate geometry to five C4- atoms. There are a spread of Gd–C bond distances ranging from 2.51–2.71 Å. Cr3+ is bonded to four C4- atoms to form a mixture of edge and corner-sharing CrC4 trigonal pyramids. There are a spread of Cr–C bond distances ranging from 1.89–1.99 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent Gd3+ and two equivalent Cr3+ atoms to form edge-sharing CGd4Cr2 octahedra. In the second C4- site, C4- is bonded in a 6-coordinate geometry to three equivalent Gd3+ and three equivalent Cr3+ atoms.