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Title: Materials Data on Tl2CuTe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1743710· OSTI ID:1743710

CuTl2Te2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu2+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Cu–Te bond lengths are 3.41 Å. Tl1+ is bonded in a 8-coordinate geometry to four equivalent Tl1+ and four equivalent Te2- atoms. All Tl–Tl bond lengths are 3.09 Å. All Tl–Te bond lengths are 3.39 Å. Te2- is bonded in a 9-coordinate geometry to four equivalent Cu2+, four equivalent Tl1+, and one Te2- atom. The Te–Te bond length is 2.89 Å.

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:
1743710
Report Number(s):
mp-1207270
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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