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Materials Data on U2TlSe6 by Materials Project

U2TlSe6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U+5.50+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.90–2.95 Å. Tl1+ is bonded in a distorted body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.39 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent U+5.50+, two equivalent Tl1+, and two equivalent Se2- atoms. There are one shorter (2.72 Å) and one longer (2.80 Å) Se–Se bond lengths. In the second Se2- site, Se2- is bonded to four equivalent U+5.50+ atoms to form a mixture of distorted corner and edge-sharing SeU4 trigonal pyramids.

36 MATERIALS SCIENCE↗