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Title: Materials Data on FeTe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195070· OSTI ID:1195070

FeTe2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent Te+1.50- atoms to form a mixture of corner and edge-sharing FeTe6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two shorter (2.56 Å) and four longer (2.57 Å) Fe–Te bond lengths. Te+1.50- is bonded in a 3-coordinate geometry to three equivalent Fe3+ 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:
1195070
Report Number(s):
mp-19880
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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