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Title: Materials Data on Ti3Ge by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317450· OSTI ID:1317450

GeTi3 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 to four equivalent Ti and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing TiTi4Ge4 tetrahedra. All Ti–Ti bond lengths are 2.75 Å. All Ti–Ge bond lengths are 2.75 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Ge atoms. All Ti–Ge bond lengths are 3.18 Å. Ge 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:
1317450
Report Number(s):
mp-998987
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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