Materials Data on ZnWO4 by Materials Project
Abstract
ZnWO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. W6+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of W–O bond distances ranging from 1.91–2.26 Å. Zn2+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of Zn–O bond distances ranging from 2.09–2.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent W6+ and three equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent W6+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded to two equivalent W6+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2W2 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent W6+ and two equivalent Zn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1205368
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; ZnWO4; O-W-Zn
- OSTI Identifier:
- 1663940
- DOI:
- https://doi.org/10.17188/1663940
Citation Formats
The Materials Project. Materials Data on ZnWO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1663940.
The Materials Project. Materials Data on ZnWO4 by Materials Project. United States. doi:https://doi.org/10.17188/1663940
The Materials Project. 2020.
"Materials Data on ZnWO4 by Materials Project". United States. doi:https://doi.org/10.17188/1663940. https://www.osti.gov/servlets/purl/1663940. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1663940,
title = {Materials Data on ZnWO4 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnWO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. W6+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of W–O bond distances ranging from 1.91–2.26 Å. Zn2+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of Zn–O bond distances ranging from 2.09–2.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent W6+ and three equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent W6+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded to two equivalent W6+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2W2 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent W6+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1663940},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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