DOE OSTI2020
SmPdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 1-coordinate geometry to six Pd2+ and six Si4- atoms. There are a spread of Sm–Pd bond distances ranging from 2.99–3.15 Å. There are a spread of Sm–Si bond distances ranging from 3.12–3.29 Å. In the second Sm2+ site, Sm2+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Sm–Si bond distances ranging from 3.00–3.15 Å. In the third Sm2+ site, Sm2+ is bonded in a 1-coordinate geometry to six Pd2+ and six Si4- atoms. There are a spread of Sm–Pd bond distances ranging from 2.96–3.17 Å. There are a spread of Sm–Si bond distances ranging from 3.09–3.28 Å. There are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a 4-coordinate geometry to five Sm2+ and three Si4- atoms. There are one shorter (2.53 Å) and two longer (2.54 Å) Pd–Si bond lengths. In the second Pd2+ site, Pd2+ is bonded in a 3-coordinate geometry to three equivalent Sm2+ and three equivalent Si4- atoms. There are two shorter (2.54 Å) and one longer (2.61 Å) Pd–Si bond lengths. In the third Pd2+ site, Pd2+ is bonded in a 6-coordinate geometry to four Sm2+ and four Si4- atoms. There are a spread of Pd–Si bond distances ranging from 2.56–2.90 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to six Sm2+ and four Pd2+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Sm2+, three equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.64 Å. In the third Si4- site, Si4- is bonded in a 10-coordinate geometry to six Sm2+, three Pd2+, and one Si4- atom.