U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FePO4 by Materials Project
Abstract
FePO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.88–1.91 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. All P–O bond lengths are 1.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-694541
- 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; FePO4; Fe-O-P
- OSTI Identifier:
- 1284678
- DOI:
- https://doi.org/10.17188/1284678
Citation Formats
The Materials Project. Materials Data on FePO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284678.
The Materials Project. Materials Data on FePO4 by Materials Project. United States. doi:https://doi.org/10.17188/1284678
The Materials Project. 2020.
"Materials Data on FePO4 by Materials Project". United States. doi:https://doi.org/10.17188/1284678. https://www.osti.gov/servlets/purl/1284678. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1284678,
title = {Materials Data on FePO4 by Materials Project},
author = {The Materials Project},
abstractNote = {FePO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.88–1.91 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. All P–O bond lengths are 1.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one P5+ atom.},
doi = {10.17188/1284678},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}