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Title: Materials Data on TiMnAs by Materials Project

Abstract

TiMnAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded to four As atoms to form a mixture of distorted corner and edge-sharing TiAs4 tetrahedra. There are two shorter (2.52 Å) and two longer (2.54 Å) Ti–As bond lengths. Mn is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.65 Å) and four longer (2.75 Å) Mn–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Mn atoms. In the second As site, As is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Mn atoms.

Authors:
Publication Date:
Other Number(s):
mp-1079806
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; TiMnAs; As-Mn-Ti
OSTI Identifier:
1753616
DOI:
https://doi.org/10.17188/1753616

Citation Formats

The Materials Project. Materials Data on TiMnAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753616.
The Materials Project. Materials Data on TiMnAs by Materials Project. United States. doi:https://doi.org/10.17188/1753616
The Materials Project. 2020. "Materials Data on TiMnAs by Materials Project". United States. doi:https://doi.org/10.17188/1753616. https://www.osti.gov/servlets/purl/1753616. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753616,
title = {Materials Data on TiMnAs by Materials Project},
author = {The Materials Project},
abstractNote = {TiMnAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded to four As atoms to form a mixture of distorted corner and edge-sharing TiAs4 tetrahedra. There are two shorter (2.52 Å) and two longer (2.54 Å) Ti–As bond lengths. Mn is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.65 Å) and four longer (2.75 Å) Mn–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Mn atoms. In the second As site, As is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Mn atoms.},
doi = {10.17188/1753616},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}