Materials Data on Er15Si9C by Materials Project

Er15Si9C crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Er–Si bond distances ranging from 2.98–3.04 Å. In the second Er site, Er is bonded in a 1-coordinate geometry to four Si and one C atom. There are a spread of Er–Si bond distances ranging from 2.93–3.15 Å. The Er–C bond length is 2.44 Å. In the third Er site, Er is bonded in a 1-coordinate geometry to five Si and one C atom. There are a spread of Er–Si bond distances ranging from 2.93–3.64 Å. The Er–C bond length is 2.44 Å. In the fourth Er site, Er is bonded in a 3-coordinate geometry to five Si atoms. There are a spread of Er–Si bond distances ranging from 2.91–3.53 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to eight Er atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Er atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to nine Er atoms. C is bonded in an octahedral geometry to six Er atoms.