U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MoPO7 by Materials Project
Abstract
MoPO7 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one MoPO7 ribbon oriented in the (0, 1, 0) direction. Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.61 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.51–1.74 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Mo and one P atom. In the second O site, O is bonded in a 2-coordinate geometry to one Mo and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.34 Å. In the fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mo and one O atom. In the sixth O site, O is bonded in a single-bond geometry to one Mo atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1189600
- 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; MoPO7; Mo-O-P
- OSTI Identifier:
- 1686647
- DOI:
- https://doi.org/10.17188/1686647
Citation Formats
The Materials Project. Materials Data on MoPO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1686647.
The Materials Project. Materials Data on MoPO7 by Materials Project. United States. doi:https://doi.org/10.17188/1686647
The Materials Project. 2020.
"Materials Data on MoPO7 by Materials Project". United States. doi:https://doi.org/10.17188/1686647. https://www.osti.gov/servlets/purl/1686647. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1686647,
title = {Materials Data on MoPO7 by Materials Project},
author = {The Materials Project},
abstractNote = {MoPO7 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one MoPO7 ribbon oriented in the (0, 1, 0) direction. Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.61 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.51–1.74 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Mo and one P atom. In the second O site, O is bonded in a 2-coordinate geometry to one Mo and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.34 Å. In the fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mo and one O atom. In the sixth O site, O is bonded in a single-bond geometry to one Mo atom.},
doi = {10.17188/1686647},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}