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Title: Materials Data on Fe(PO4)3 by Materials Project

Abstract

Fe(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Fe–O bond lengths are 2.00 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There is two shorter (1.53 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom.

Publication Date:
Other Number(s):
mp-1204434
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Fe(PO4)3; Fe-O-P
OSTI Identifier:
1686058
DOI:
https://doi.org/10.17188/1686058

Citation Formats

The Materials Project. Materials Data on Fe(PO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686058.
The Materials Project. Materials Data on Fe(PO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1686058
The Materials Project. 2020. "Materials Data on Fe(PO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1686058. https://www.osti.gov/servlets/purl/1686058. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1686058,
title = {Materials Data on Fe(PO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Fe–O bond lengths are 2.00 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There is two shorter (1.53 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom.},
doi = {10.17188/1686058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}