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Materials Data on TaTi3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1709690· OSTI ID:1709690
Ti3Ta is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Ta atoms. All Ti–Ti bond lengths are 2.83 Å. All Ti–Ta bond lengths are 2.83 Å. In the second Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Ta atoms. All Ti–Ta bond lengths are 3.27 Å. Ta is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1709690
Report Number(s):
mp-1187253
Country of Publication:
United States
Language:
English

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