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Title: Materials Data on CuAgTe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204231· OSTI ID:1204231

AgCuTe2 is Vulcanite-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is two-dimensional and consists of one AgCuTe2 sheet oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 2-coordinate geometry to two equivalent Ag1+, four equivalent Cu2+, and four Te+1.50- atoms. Both Ag–Ag bond lengths are 3.15 Å. All Ag–Cu bond lengths are 2.81 Å. There are two shorter (2.76 Å) and two longer (2.95 Å) Ag–Te bond lengths. Cu2+ is bonded in a 2-coordinate geometry to four equivalent Ag1+ and four Te+1.50- atoms. There are two shorter (2.67 Å) and two longer (3.07 Å) Cu–Te bond lengths. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to two equivalent Ag1+, two equivalent Cu2+, and two equivalent Te+1.50- atoms. Both Te–Te bond lengths are 3.15 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to two equivalent Ag1+, two equivalent Cu2+, and two equivalent Te+1.50- atoms. Both Te–Te bond lengths are 3.15 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:
1204231
Report Number(s):
mp-2977
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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