Materials Data on U3TlF13 by Materials Project
U3TlF13 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.26–2.47 Å. In the second U4+ site, U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.23–2.46 Å. Tl1+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.80–3.38 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two U4+ and one Tl1+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent U4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent U4+ and one Tl1+ atom. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent U4+ and two equivalent Tl1+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent U4+ and one Tl1+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two U4+ and one Tl1+ atom. In the seventh F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three U4+ atoms. In the eighth F1- site, F1- is bonded in a distorted linear geometry to two equivalent U4+ atoms. In the ninth F1- site, F1- is bonded in a 3-coordinate geometry to two U4+ and one Tl1+ atom.