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Title: Materials Data on AlWO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1319510· OSTI ID:1319510

WO3Al is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one aluminium molecule and one WO3 framework. In the WO3 framework, W3+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.00 Å) and two longer (2.05 Å) W–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W3+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W3+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1319510
Report Number(s):
mvc-15605
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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