Materials Data on ErWC2 by Materials Project
ErWC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded to seven C4- atoms to form distorted ErC7 pentagonal bipyramids that share corners with four equivalent ErC7 pentagonal bipyramids, corners with three equivalent WC5 trigonal bipyramids, edges with four equivalent ErC7 pentagonal bipyramids, edges with seven equivalent WC5 trigonal bipyramids, and faces with two equivalent ErC7 pentagonal bipyramids. There are a spread of Er–C bond distances ranging from 2.44–2.57 Å. W5+ is bonded to five C4- atoms to form WC5 trigonal bipyramids that share corners with three equivalent ErC7 pentagonal bipyramids, corners with four equivalent WC5 trigonal bipyramids, edges with seven equivalent ErC7 pentagonal bipyramids, and edges with two equivalent WC5 trigonal bipyramids. There are a spread of W–C bond distances ranging from 2.02–2.28 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent Er3+ and two equivalent W5+ atoms to form a mixture of corner, edge, and face-sharing CEr4W2 octahedra. The corner-sharing octahedra tilt angles range from 11–60°. In the second C4- site, C4- is bonded to three equivalent Er3+ and three equivalent W5+ atoms to form a mixture of corner, edge, and face-sharing CEr3W3 octahedra. The corner-sharing octahedra tilt angles range from 11–60°.