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Title: Materials Data on Ta7InO19 by Materials Project

Abstract

Ta7InO19 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. there are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ta–O bond distances ranging from 1.93–2.45 Å. In the second Ta5+ site, Ta5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.03 Å. In3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.36 Å) and two longer (2.73 Å) In–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ta5+ and one In3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Ta5+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Ta5+ and one In3+ atom.

Publication Date:
Other Number(s):
mp-772869
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; Ta7InO19; In-O-Ta
OSTI Identifier:
1301519
DOI:
https://doi.org/10.17188/1301519

Citation Formats

The Materials Project. Materials Data on Ta7InO19 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1301519.
The Materials Project. Materials Data on Ta7InO19 by Materials Project. United States. doi:https://doi.org/10.17188/1301519
The Materials Project. 2017. "Materials Data on Ta7InO19 by Materials Project". United States. doi:https://doi.org/10.17188/1301519. https://www.osti.gov/servlets/purl/1301519. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1301519,
title = {Materials Data on Ta7InO19 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta7InO19 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. there are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ta–O bond distances ranging from 1.93–2.45 Å. In the second Ta5+ site, Ta5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.03 Å. In3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.36 Å) and two longer (2.73 Å) In–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ta5+ and one In3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Ta5+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Ta5+ and one In3+ atom.},
doi = {10.17188/1301519},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}