Materials Data on Ce2WC2 by Materials Project

Abstract

Ce2WC2 is Ilmenite-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to four C4- atoms. There are a spread of Ce–C bond distances ranging from 2.54–2.63 Å. W2+ is bonded to four C4- atoms to form a mixture of edge and corner-sharing WC4 trigonal pyramids. All W–C bond lengths are 2.09 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent Ce3+ and two equivalent W2+ atoms to form a mixture of edge and corner-sharing CCe4W2 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second C4- site, C4- is bonded to four equivalent Ce3+ and two equivalent W2+ atoms to form a mixture of edge and corner-sharing CCe4W2 octahedra. The corner-sharing octahedra tilt angles range from 32–52°.