skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ti2CuSb3 by Materials Project

Abstract

Ti2CuSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ti4+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Ti–Sb bond distances ranging from 2.85–3.00 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.69 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Ti4+ atoms. In the second Sb3- site, Sb3- is bonded to four equivalent Ti4+ and four equivalent Cu1+ atoms to form a mixture of distorted corner and face-sharing SbTi4Cu4 hexagonal bipyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505804
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; Ti2CuSb3; Cu-Sb-Ti
OSTI Identifier:
1262766
DOI:
10.17188/1262766

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ti2CuSb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262766.
Persson, Kristin, & Project, Materials. Materials Data on Ti2CuSb3 by Materials Project. United States. doi:10.17188/1262766.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ti2CuSb3 by Materials Project". United States. doi:10.17188/1262766. https://www.osti.gov/servlets/purl/1262766. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1262766,
title = {Materials Data on Ti2CuSb3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ti2CuSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ti4+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Ti–Sb bond distances ranging from 2.85–3.00 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.69 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Ti4+ atoms. In the second Sb3- site, Sb3- is bonded to four equivalent Ti4+ and four equivalent Cu1+ atoms to form a mixture of distorted corner and face-sharing SbTi4Cu4 hexagonal bipyramids.},
doi = {10.17188/1262766},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: