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Title: Materials Data on TiSe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1276376· OSTI ID:1276376

TiSe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted face, edge, and corner-sharing TiSe6 octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of Ti–Se bond distances ranging from 2.55–2.77 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent Ti2+ 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:
1276376
Report Number(s):
mp-571651
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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