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Title: Materials Data on BaLa2Te5O14 by Materials Project

Abstract

BaLa2Te5O14 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–3.13 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.67 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.69 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.88 Å) and two longer (1.92 Å) Te–O bond length. In the third Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (1.88 Å) and two longer (2.20 Å) Te–O bond lengths. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one La3+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one La3+ and one Te4+ atom. In themore » third O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, two equivalent La3+, and one Te4+ atom. In the fourth O2- site, O2- is bonded to one Ba2+, two equivalent La3+, and one Te4+ atom to form distorted corner-sharing OBaLa2Te tetrahedra. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ba2+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+, one La3+, and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one La3+ and one Te4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-559703
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; BaLa2Te5O14; Ba-La-O-Te
OSTI Identifier:
1270991
DOI:
https://doi.org/10.17188/1270991

Citation Formats

The Materials Project. Materials Data on BaLa2Te5O14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270991.
The Materials Project. Materials Data on BaLa2Te5O14 by Materials Project. United States. doi:https://doi.org/10.17188/1270991
The Materials Project. 2020. "Materials Data on BaLa2Te5O14 by Materials Project". United States. doi:https://doi.org/10.17188/1270991. https://www.osti.gov/servlets/purl/1270991. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270991,
title = {Materials Data on BaLa2Te5O14 by Materials Project},
author = {The Materials Project},
abstractNote = {BaLa2Te5O14 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–3.13 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.67 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.69 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.88 Å) and two longer (1.92 Å) Te–O bond length. In the third Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (1.88 Å) and two longer (2.20 Å) Te–O bond lengths. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one La3+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one La3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, two equivalent La3+, and one Te4+ atom. In the fourth O2- site, O2- is bonded to one Ba2+, two equivalent La3+, and one Te4+ atom to form distorted corner-sharing OBaLa2Te tetrahedra. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ba2+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+, one La3+, and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one La3+ and one Te4+ atom.},
doi = {10.17188/1270991},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}