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Title: Materials Data on Ti3In by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317444· OSTI ID:1317444

Ti3In 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 In atoms. All Ti–Ti bond lengths are 2.88 Å. All Ti–In bond lengths are 2.88 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent In atoms. All Ti–In bond lengths are 3.32 Å. In is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1317444
Report Number(s):
mp-998979
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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