U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2FeP2O7 by Materials Project
Abstract
K2FeP2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to three equivalent O2- atoms. There are two shorter (2.63 Å) and one longer (2.64 Å) K–O bond lengths. Fe2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Fe–O bond lengths are 2.00 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is three shorter (1.53 Å) and one longer (1.64 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to one Fe2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191511
- 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; K2FeP2O7; Fe-K-O-P
- OSTI Identifier:
- 1688207
- DOI:
- https://doi.org/10.17188/1688207
Citation Formats
The Materials Project. Materials Data on K2FeP2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1688207.
The Materials Project. Materials Data on K2FeP2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1688207
The Materials Project. 2020.
"Materials Data on K2FeP2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1688207. https://www.osti.gov/servlets/purl/1688207. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1688207,
title = {Materials Data on K2FeP2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {K2FeP2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to three equivalent O2- atoms. There are two shorter (2.63 Å) and one longer (2.64 Å) K–O bond lengths. Fe2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Fe–O bond lengths are 2.00 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is three shorter (1.53 Å) and one longer (1.64 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to one Fe2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom.},
doi = {10.17188/1688207},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}