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Title: Materials Data on Fe2Te3O10 by Materials Project

Abstract

Fe2Te3O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.94–2.20 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.79–2.17 Å. There are three inequivalent Te+4.67+ sites. In the first Te+4.67+ site, Te+4.67+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–1.95 Å. In the second Te+4.67+ site, Te+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.65 Å. In the third Te+4.67+ site, Te+4.67+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–1.94 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and one Te+4.67+ atom. In the second O2- site, O2- is bondedmore » in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+ and two Te+4.67+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+ and two Te+4.67+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+ and one Te+4.67+ atom. In the ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Fe3+ and one Te+4.67+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Fe3+ atom.« less

Publication Date:
Other Number(s):
mp-1194329
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; Fe2Te3O10; Fe-O-Te
OSTI Identifier:
1680212
DOI:
https://doi.org/10.17188/1680212

Citation Formats

The Materials Project. Materials Data on Fe2Te3O10 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680212.
The Materials Project. Materials Data on Fe2Te3O10 by Materials Project. United States. doi:https://doi.org/10.17188/1680212
The Materials Project. 2019. "Materials Data on Fe2Te3O10 by Materials Project". United States. doi:https://doi.org/10.17188/1680212. https://www.osti.gov/servlets/purl/1680212. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1680212,
title = {Materials Data on Fe2Te3O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2Te3O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.94–2.20 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.79–2.17 Å. There are three inequivalent Te+4.67+ sites. In the first Te+4.67+ site, Te+4.67+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–1.95 Å. In the second Te+4.67+ site, Te+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.65 Å. In the third Te+4.67+ site, Te+4.67+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–1.94 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and one Te+4.67+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+ and two Te+4.67+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+ and two Te+4.67+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+ and one Te+4.67+ atom. In the ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Fe3+ and one Te+4.67+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Fe3+ atom.},
doi = {10.17188/1680212},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}