Materials Data on Al2(WO4)3 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1194662· OSTI ID:1194662

Al2(WO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 12–32°. There is two shorter (1.80 Å) and two longer (1.81 Å) W–O bond length. In the second W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 9–35°. There is one shorter (1.80 Å) and three longer (1.81 Å) W–O bond length. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six WO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.88–1.93 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Al3+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Al3+ atom. In the third O2- site, O2- is bonded in a linear geometry to one W6+ and one Al3+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Al3+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Al3+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one W6+ and one Al3+ 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: 1194662
• Report Number(s): mp-19516
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-O-W
Al2(WO4)3
crystal structure