U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgPO7 by Materials Project
Abstract
MgPO7 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Mg is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.93–2.43 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Mg and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.30 Å. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a linear geometry to one Mg and one P atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.30 Å. In the sixth O site, O is bonded in a linear geometry to one Mg and one P atom. In the seventh O site, O is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-1197436
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Mg-O-P; MgPO7; crystal structure
- OSTI Identifier:
- 1700426
- DOI:
- https://doi.org/10.17188/1700426
Citation Formats
Materials Data on MgPO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1700426.
Materials Data on MgPO7 by Materials Project. United States. doi:https://doi.org/10.17188/1700426
2020.
"Materials Data on MgPO7 by Materials Project". United States. doi:https://doi.org/10.17188/1700426. https://www.osti.gov/servlets/purl/1700426. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1700426,
title = {Materials Data on MgPO7 by Materials Project},
abstractNote = {MgPO7 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Mg is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.93–2.43 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Mg and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.30 Å. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a linear geometry to one Mg and one P atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.30 Å. In the sixth O site, O is bonded in a linear geometry to one Mg and one P atom. In the seventh O site, O is bonded in a water-like geometry to one Mg and one O atom.},
doi = {10.17188/1700426},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}