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Title: Materials Data on Cu2GeTe3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189208· OSTI ID:1189208

Ge1Cu2Te3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with five equivalent GeTe4 tetrahedra and corners with seven equivalent CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.57–2.59 Å. Ge4+ is bonded to four Te2- atoms to form GeTe4 tetrahedra that share corners with two equivalent GeTe4 tetrahedra and corners with ten equivalent CuTe4 tetrahedra. There are two shorter (2.65 Å) and two longer (2.74 Å) Ge–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form corner-sharing TeCu2Ge2 tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Cu1+ and one Ge4+ atom to form corner-sharing TeCu3Ge tetrahedra.

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:
1189208
Report Number(s):
mp-12806
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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