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Title: 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; 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; FeP2O7; Fe-O-P
OSTI Identifier:
1205907
DOI:
https://doi.org/10.17188/1205907

Citation Formats

The Materials Project. Materials Data on FeP2O7 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1205907.
The Materials Project. Materials Data on FeP2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1205907
The Materials Project. 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},
author = {The 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}
}