U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnMo2O5 by Materials Project
Abstract
ZnMo2O5 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Mo2O5 sheet oriented in the (0, 1, 0) direction and two zinc molecules. In the Mo2O5 sheet, there are two inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.07 Å. In the second Mo4+ site, Mo4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.07 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo4+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mo4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-5304
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; ZnMo2O5; Mo-O-Zn
- OSTI Identifier:
- 1321342
- DOI:
- https://doi.org/10.17188/1321342
Citation Formats
The Materials Project. Materials Data on ZnMo2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321342.
The Materials Project. Materials Data on ZnMo2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1321342
The Materials Project. 2020.
"Materials Data on ZnMo2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1321342. https://www.osti.gov/servlets/purl/1321342. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1321342,
title = {Materials Data on ZnMo2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnMo2O5 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Mo2O5 sheet oriented in the (0, 1, 0) direction and two zinc molecules. In the Mo2O5 sheet, there are two inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.07 Å. In the second Mo4+ site, Mo4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.07 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo4+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mo4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo4+ atom.},
doi = {10.17188/1321342},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}