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Title: Materials Data on Ti3As by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1188550· OSTI ID:1188550

Ti3As crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent As atoms. Both Ti–Ti bond lengths are 2.51 Å. All Ti–As bond lengths are 2.81 Å. As is bonded to twelve equivalent Ti atoms to form a mixture of face and edge-sharing AsTi12 cuboctahedra.

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:
1188550
Report Number(s):
mp-12071
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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