DOE OSTI2020
U3Si is beta Cu3Ti-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent U sites. In the first U site, U is bonded in a 4-coordinate geometry to eight U and four Si atoms. There are a spread of U–U bond distances ranging from 2.90–3.14 Å. All U–Si bond lengths are 3.01 Å. In the second U site, U is bonded in a 4-coordinate geometry to eight U and four Si atoms. There are a spread of U–U bond distances ranging from 2.90–3.14 Å. All U–Si bond lengths are 3.01 Å. In the third U site, U is bonded in a 12-coordinate geometry to eight U and four Si atoms. There are two shorter (2.81 Å) and two longer (3.19 Å) U–U bond lengths. All U–Si bond lengths are 3.01 Å. In the fourth U site, U is bonded in a 12-coordinate geometry to eight U and four Si atoms. There are a spread of U–U bond distances ranging from 2.81–3.18 Å. All U–Si bond lengths are 3.01 Å. In the fifth U site, U is bonded in a 12-coordinate geometry to eight U and four Si atoms. There are three shorter (3.01 Å) and one longer (3.02 Å) U–Si bond lengths. In the sixth U site, U is bonded in a 12-coordinate geometry to eight U and four Si atoms. There are two shorter (3.01 Å) and two longer (3.02 Å) U–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to twelve U atoms to form a mixture of corner and face-sharing SiU12 cuboctahedra. In the second Si site, Si is bonded to twelve U atoms to form a mixture of corner and face-sharing SiU12 cuboctahedra.