Materials Data on U(WO5)2 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1672346· OSTI ID:1672346

(UW2O9)2O2 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of four water molecules and two UW2O9 sheets oriented in the (0, 0, 1) direction. In each UW2O9 sheet, U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.79–2.57 Å. W is bonded in a 5-coordinate geometry to five O atoms. There are a spread of W–O bond distances ranging from 1.72–2.10 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one W atom. In the second O site, O is bonded in a bent 150 degrees geometry to one U and one W atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to one U and two equivalent W atoms. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to one U and two equivalent W atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1672346
• Report Number(s): mp-1196060
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
O-U-W
U(WO5)2
crystal structure