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ErSi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to seven equivalent Si atoms. There are a spread of Er–Si bond distances ranging from 2.92–3.11 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Er and two equivalent Si atoms. Both Si–Si bond lengths are 2.49 Å.
ErSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 7-coordinate geometry to seven equivalent Si atoms. There are a spread of Er–Si bond distances ranging from 2.92–3.12 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Er and two equivalent Si atoms. Both Si–Si bond lengths are 2.48 Å.
ErSI crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a distorted trigonal planar geometry to three S2- and six I1- atoms. There are two shorter (2.59 Å) and one longer (2.60 Å) Er–S bond lengths. There are a spread of Er–I bond distances ranging from 3.61–3.65 Å. In the second Er3+ site, Er3+ is bonded in a trigonal planar geometry to three equivalent S2- and six equivalent I1- atoms. All Er–S bond lengths are 2.59 Å. All Er–I bond lengths are 3.66 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal planar geometry to three Er3+ and six I1- atoms. There are two shorter (3.64 Å) and four longer (3.65 Å) S–I bond lengths. In the second S2- site, S2- is bonded in a trigonal planar geometry to three equivalent Er3+ and six equivalent I1- atoms. All S–I bond lengths are 3.62 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to six Er3+ and six S2- atoms to form a mixture of distorted face and edge-sharing IEr6S6 cuboctahedra. In the second I1- site, I1- is bonded to six equivalent Er3+ and six equivalent S2- atoms to form a mixture of distorted face and edge-sharing IEr6S6 cuboctahedra.