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Title: Materials Data on TiTeAs by Materials Project

Abstract

TiAsTe crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ti4+ is bonded in a 8-coordinate geometry to four equivalent As2- and four equivalent Te2- atoms. All Ti–As bond lengths are 2.71 Å. There are two shorter (2.86 Å) and two longer (2.90 Å) Ti–Te bond lengths. As2- is bonded in a 6-coordinate geometry to four equivalent Ti4+ and two equivalent As2- atoms. There are one shorter (2.64 Å) and one longer (2.66 Å) As–As bond lengths. Te2- is bonded to four equivalent Ti4+ atoms to form a mixture of distorted edge and corner-sharing TeTi4 tetrahedra.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1187575
Report Number(s):
mp-11113
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; TiTeAs; As-Te-Ti

Citation Formats

The Materials Project. Materials Data on TiTeAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187575.
The Materials Project. Materials Data on TiTeAs by Materials Project. United States. https://doi.org/10.17188/1187575
The Materials Project. 2020. "Materials Data on TiTeAs by Materials Project". United States. https://doi.org/10.17188/1187575. https://www.osti.gov/servlets/purl/1187575.
@article{osti_1187575,
title = {Materials Data on TiTeAs by Materials Project},
author = {The Materials Project},
abstractNote = {TiAsTe crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ti4+ is bonded in a 8-coordinate geometry to four equivalent As2- and four equivalent Te2- atoms. All Ti–As bond lengths are 2.71 Å. There are two shorter (2.86 Å) and two longer (2.90 Å) Ti–Te bond lengths. As2- is bonded in a 6-coordinate geometry to four equivalent Ti4+ and two equivalent As2- atoms. There are one shorter (2.64 Å) and one longer (2.66 Å) As–As bond lengths. Te2- is bonded to four equivalent Ti4+ atoms to form a mixture of distorted edge and corner-sharing TeTi4 tetrahedra.},
doi = {10.17188/1187575},
url = {https://www.osti.gov/biblio/1187575}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}