Materials Data on NaEuAsS4 by Materials Project

Abstract

NaEuAsS4 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Na–S bond distances ranging from 2.75–3.50 Å. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.92–3.27 Å. As5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of As–S bond distances ranging from 2.21–2.24 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Na1+, two equivalent Eu2+, and one As5+ atom. In the second S2- site, S2- is bonded to two equivalent Na1+, two equivalent Eu2+, and one As5+ atom to form distorted SNa2Eu2As trigonal bipyramids that share corners with four equivalent SNa2Eu2As trigonal bipyramids, corners with three equivalent SNaEu2As trigonal pyramids, and edges with two equivalent SNaEu2As trigonal pyramids. In the third S2- site, S2- is bonded to one Na1+, two equivalent Eu2+, and one As5+ atom to form distorted SNaEu2As trigonal pyramids that share corners with three equivalent SNa2Eu2As trigonal bipyramids, corners with two equivalent SNaEu2As trigonal pyramids, and edges with two equivalent SNa2Eu2As trigonal bipyramids.