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Title: Materials Data on GaTeO3F by Materials Project

Abstract

GaTeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ga3+ is bonded to four O2- and two equivalent F1- atoms to form edge-sharing GaO4F2 octahedra. There are a spread of Ga–O bond distances ranging from 1.94–2.01 Å. There are one shorter (1.98 Å) and one longer (2.07 Å) Ga–F bond lengths. Te4+ is bonded in a 6-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ga3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ga3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one Te4+ atom. F1- is bonded in a distorted water-like geometry to two equivalent Ga3+ atoms.

Publication Date:
Other Number(s):
mp-558984
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; GaTeO3F; F-Ga-O-Te
OSTI Identifier:
1270592
DOI:
10.17188/1270592

Citation Formats

The Materials Project. Materials Data on GaTeO3F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270592.
The Materials Project. Materials Data on GaTeO3F by Materials Project. United States. doi:10.17188/1270592.
The Materials Project. 2020. "Materials Data on GaTeO3F by Materials Project". United States. doi:10.17188/1270592. https://www.osti.gov/servlets/purl/1270592. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1270592,
title = {Materials Data on GaTeO3F by Materials Project},
author = {The Materials Project},
abstractNote = {GaTeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ga3+ is bonded to four O2- and two equivalent F1- atoms to form edge-sharing GaO4F2 octahedra. There are a spread of Ga–O bond distances ranging from 1.94–2.01 Å. There are one shorter (1.98 Å) and one longer (2.07 Å) Ga–F bond lengths. Te4+ is bonded in a 6-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ga3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ga3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one Te4+ atom. F1- is bonded in a distorted water-like geometry to two equivalent Ga3+ atoms.},
doi = {10.17188/1270592},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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