U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeP2O7 by Materials Project
Abstract
FeP2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are two shorter (2.00 Å) and four longer (2.02 Å) Fe–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent FeO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–49°. There is three shorter (1.53 Å) and one longer (1.61 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Fe and one P atom. In the third O site, O is bonded in a linear geometry to one Fe and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Fe and one P atom.
- Publication Date:
- Other Number(s):
- mp-31793
- 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; Fe-O-P; FeP2O7; crystal structure
- OSTI Identifier:
- 1205907
- DOI:
- https://doi.org/10.17188/1205907
Citation Formats
Materials Data on FeP2O7 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1205907.
Materials Data on FeP2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1205907
2017.
"Materials Data on FeP2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1205907. https://www.osti.gov/servlets/purl/1205907. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1205907,
title = {Materials Data on FeP2O7 by Materials Project},
abstractNote = {FeP2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are two shorter (2.00 Å) and four longer (2.02 Å) Fe–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent FeO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–49°. There is three shorter (1.53 Å) and one longer (1.61 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Fe and one P atom. In the third O site, O is bonded in a linear geometry to one Fe and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Fe and one P atom.},
doi = {10.17188/1205907},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}