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Title: Materials Data on Te2O3F2 by Materials Project

Abstract

Te2O3F2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Te2O3F2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are a spread of Te–O bond distances ranging from 1.91–2.54 Å. The Te–F bond length is 1.96 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to three O2- and one F1- atom. There are a spread of Te–O bond distances ranging from 1.91–2.17 Å. The Te–F bond length is 2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Te4+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te4+ atom. In the second F1- site, F1- is bonded in a single-bond geometrymore » to one Te4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-29185
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; Te2O3F2; F-O-Te
OSTI Identifier:
1203472
DOI:
https://doi.org/10.17188/1203472

Citation Formats

The Materials Project. Materials Data on Te2O3F2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203472.
The Materials Project. Materials Data on Te2O3F2 by Materials Project. United States. doi:https://doi.org/10.17188/1203472
The Materials Project. 2020. "Materials Data on Te2O3F2 by Materials Project". United States. doi:https://doi.org/10.17188/1203472. https://www.osti.gov/servlets/purl/1203472. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1203472,
title = {Materials Data on Te2O3F2 by Materials Project},
author = {The Materials Project},
abstractNote = {Te2O3F2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Te2O3F2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are a spread of Te–O bond distances ranging from 1.91–2.54 Å. The Te–F bond length is 1.96 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to three O2- and one F1- atom. There are a spread of Te–O bond distances ranging from 1.91–2.17 Å. The Te–F bond length is 2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Te4+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te4+ atom.},
doi = {10.17188/1203472},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}