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Title: Materials Data on Ti3Co5B2 by Materials Project

Abstract

Ti3Co5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Ti–Co bond lengths are 2.48 Å. In the second Ti site, Ti is bonded in a 1-coordinate geometry to ten Co and three equivalent B atoms. There are a spread of Ti–Co bond distances ranging from 2.58–2.72 Å. There are one shorter (2.45 Å) and two longer (2.53 Å) Ti–B bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to four equivalent Ti and four equivalent B atoms. All Co–B bond lengths are 2.10 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to six Ti and two equivalent B atoms. Both Co–B bond lengths are 2.08 Å. B is bonded in a 9-coordinate geometry to three equivalent Ti and six Co atoms.

Authors:
Publication Date:
Other Number(s):
mp-504617
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; Ti3Co5B2; B-Co-Ti
OSTI Identifier:
1261880
DOI:
https://doi.org/10.17188/1261880

Citation Formats

The Materials Project. Materials Data on Ti3Co5B2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261880.
The Materials Project. Materials Data on Ti3Co5B2 by Materials Project. United States. doi:https://doi.org/10.17188/1261880
The Materials Project. 2020. "Materials Data on Ti3Co5B2 by Materials Project". United States. doi:https://doi.org/10.17188/1261880. https://www.osti.gov/servlets/purl/1261880. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1261880,
title = {Materials Data on Ti3Co5B2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3Co5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Ti–Co bond lengths are 2.48 Å. In the second Ti site, Ti is bonded in a 1-coordinate geometry to ten Co and three equivalent B atoms. There are a spread of Ti–Co bond distances ranging from 2.58–2.72 Å. There are one shorter (2.45 Å) and two longer (2.53 Å) Ti–B bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to four equivalent Ti and four equivalent B atoms. All Co–B bond lengths are 2.10 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to six Ti and two equivalent B atoms. Both Co–B bond lengths are 2.08 Å. B is bonded in a 9-coordinate geometry to three equivalent Ti and six Co atoms.},
doi = {10.17188/1261880},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}