Materials Data on ZnWO4 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1280499· OSTI ID:1280499

ZnWO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 pentagonal pyramids. There are a spread of W–O bond distances ranging from 1.84–2.05 Å. Zn2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Zn–O bond distances ranging from 2.09–2.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and three equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to one W6+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Zn2+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent W6+ and two equivalent Zn2+ 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: 1280499
• Report Number(s): mp-645124
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
O-W-Zn
ZnWO4
crystal structure