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Title: Materials Data on Ba2La2TlCu2O9 by Materials Project

Abstract

Ba2La2Cu2TlO9 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–2.97 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.77 Å. Cu+2.50+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (1.92 Å) and one longer (2.35 Å) Cu–O bond lengths. Tl3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.13 Å) and four longer (2.71 Å) Tl–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Ba2+ and one Tl3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five equivalent La3+ and one Cu+2.50+ atom. In the third O2- site, O2- is bonded to two equivalent Ba2+ and four equivalent Tl3+ atoms to form a mixture of edge and corner-sharing OBa2Tl4 octahedra. The corner-sharingmore » octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Cu+2.50+ atoms.« less

Publication Date:
Other Number(s):
mp-1214673
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; Ba2La2TlCu2O9; Ba-Cu-La-O-Tl
OSTI Identifier:
1759302
DOI:
https://doi.org/10.17188/1759302

Citation Formats

The Materials Project. Materials Data on Ba2La2TlCu2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759302.
The Materials Project. Materials Data on Ba2La2TlCu2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1759302
The Materials Project. 2020. "Materials Data on Ba2La2TlCu2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1759302. https://www.osti.gov/servlets/purl/1759302. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759302,
title = {Materials Data on Ba2La2TlCu2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2La2Cu2TlO9 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–2.97 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.77 Å. Cu+2.50+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (1.92 Å) and one longer (2.35 Å) Cu–O bond lengths. Tl3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.13 Å) and four longer (2.71 Å) Tl–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Ba2+ and one Tl3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five equivalent La3+ and one Cu+2.50+ atom. In the third O2- site, O2- is bonded to two equivalent Ba2+ and four equivalent Tl3+ atoms to form a mixture of edge and corner-sharing OBa2Tl4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Cu+2.50+ atoms.},
doi = {10.17188/1759302},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}