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Materials Data on WO5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1757356· OSTI ID:1757356
WO5 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of two water molecules and one WO4 sheet oriented in the (0, 1, 0) direction. In the WO4 sheet, W is bonded to six O atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–O bond distances ranging from 1.87–2.01 Å. There are four inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent W atoms. In the second O site, O is bonded in a linear geometry to two equivalent W atoms. In the third O site, O is bonded in a linear geometry to two equivalent W atoms. In the fourth O site, O is bonded in a single-bond geometry to one W atom.
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:
1757356
Report Number(s):
mp-1095323
Country of Publication:
United States
Language:
English

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