Materials Data on KEu2CuS6 by Materials Project
KEu2CuS6 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight S1- atoms. There are a spread of K–S bond distances ranging from 3.27–3.50 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S1- atoms. There are a spread of Eu–S bond distances ranging from 2.85–3.02 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S1- atoms. There are a spread of Eu–S bond distances ranging from 2.78–3.10 Å. Cu1+ is bonded in a tetrahedral geometry to four S1- atoms. There are two shorter (2.22 Å) and two longer (2.36 Å) Cu–S bond lengths. There are three inequivalent S1- sites. In the first S1- site, S1- is bonded to four Eu2+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing SEu4Cu trigonal bipyramids. In the second S1- site, S1- is bonded in a 1-coordinate geometry to two equivalent K1+, two Eu2+, one Cu1+, and one S1- atom. The S–S bond length is 2.07 Å. In the third S1- site, S1- is bonded in a 5-coordinate geometry to two equivalent K1+, two Eu2+, and one S1- atom.