U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FePO4 by Materials Project
Abstract
FePO4 is quartz (alpha)-derived structured and crystallizes in the orthorhombic Pna2_1 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 is three shorter (1.88 Å) and one longer (1.89 Å) Fe–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-540111
- 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:
- 1263676
- DOI:
- https://doi.org/10.17188/1263676
Citation Formats
The Materials Project. Materials Data on FePO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263676.
The Materials Project. Materials Data on FePO4 by Materials Project. United States. doi:https://doi.org/10.17188/1263676
The Materials Project. 2020.
"Materials Data on FePO4 by Materials Project". United States. doi:https://doi.org/10.17188/1263676. https://www.osti.gov/servlets/purl/1263676. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1263676,
title = {Materials Data on FePO4 by Materials Project},
author = {The Materials Project},
abstractNote = {FePO4 is quartz (alpha)-derived structured and crystallizes in the orthorhombic Pna2_1 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 is three shorter (1.88 Å) and one longer (1.89 Å) Fe–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom.},
doi = {10.17188/1263676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}