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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er5Sb3 by Materials Project

Er5Sb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to five equivalent Sb atoms. There are a spread of Er–Sb bond distances ranging from 3.03–3.37 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Er–Sb bond lengths are 3.17 Å. Sb is bonded in a 9-coordinate geometry to nine Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er5Sb3 by Materials Project

Er5Sb3 crystallizes in the orthorhombic Pnma 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 Sb atoms. There are a spread of Er–Sb bond distances ranging from 3.02–3.48 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Er–Sb bond distances ranging from 2.99–3.47 Å. In the third Er site, Er is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Er–Sb bond distances ranging from 2.98–3.29 Å. In the fourth Er site, Er is bonded to five Sb atoms to form distorted edge-sharing ErSb5 square pyramids. There are a spread of Er–Sb bond distances ranging from 3.09–3.14 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Er atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Er atoms.

36 MATERIALS SCIENCE↗