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Title: Materials Data on TiCrB4 by Materials Project

Abstract

TiCrB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti4+ is bonded to twelve equivalent B+1.50- atoms to form TiB12 cuboctahedra that share edges with twelve equivalent CrB12 cuboctahedra, faces with two equivalent CrB12 cuboctahedra, and faces with six equivalent TiB12 cuboctahedra. All Ti–B bond lengths are 2.36 Å. Cr2+ is bonded to twelve equivalent B+1.50- atoms to form CrB12 cuboctahedra that share edges with twelve equivalent TiB12 cuboctahedra, faces with two equivalent TiB12 cuboctahedra, and faces with six equivalent CrB12 cuboctahedra. All Cr–B bond lengths are 2.28 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Ti4+, three equivalent Cr2+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.74 Å.

Authors:
Publication Date:
Other Number(s):
mp-1216966
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; TiCrB4; B-Cr-Ti
OSTI Identifier:
1674839
DOI:
https://doi.org/10.17188/1674839

Citation Formats

The Materials Project. Materials Data on TiCrB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1674839.
The Materials Project. Materials Data on TiCrB4 by Materials Project. United States. doi:https://doi.org/10.17188/1674839
The Materials Project. 2020. "Materials Data on TiCrB4 by Materials Project". United States. doi:https://doi.org/10.17188/1674839. https://www.osti.gov/servlets/purl/1674839. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1674839,
title = {Materials Data on TiCrB4 by Materials Project},
author = {The Materials Project},
abstractNote = {TiCrB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti4+ is bonded to twelve equivalent B+1.50- atoms to form TiB12 cuboctahedra that share edges with twelve equivalent CrB12 cuboctahedra, faces with two equivalent CrB12 cuboctahedra, and faces with six equivalent TiB12 cuboctahedra. All Ti–B bond lengths are 2.36 Å. Cr2+ is bonded to twelve equivalent B+1.50- atoms to form CrB12 cuboctahedra that share edges with twelve equivalent TiB12 cuboctahedra, faces with two equivalent TiB12 cuboctahedra, and faces with six equivalent CrB12 cuboctahedra. All Cr–B bond lengths are 2.28 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Ti4+, three equivalent Cr2+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.74 Å.},
doi = {10.17188/1674839},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}