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Title: Materials Data on Te2Br by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1201844· OSTI ID:1201844

Te2Br crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four Te2Br ribbons oriented in the (1, 0, 0) direction. there are four inequivalent Te sites. In the first Te site, Te is bonded in a distorted T-shaped geometry to three Te atoms. There are two shorter (2.87 Å) and one longer (3.00 Å) Te–Te bond lengths. In the second Te site, Te is bonded in a distorted rectangular see-saw-like geometry to two equivalent Te and two equivalent Br atoms. Both Te–Br bond lengths are 2.98 Å. In the third Te site, Te is bonded in a distorted T-shaped geometry to three Te atoms. Both Te–Te bond lengths are 2.89 Å. In the fourth Te site, Te is bonded in a distorted rectangular see-saw-like geometry to two equivalent Te and two equivalent Br atoms. Both Te–Br bond lengths are 2.92 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded in an L-shaped geometry to two equivalent Te atoms. In the second Br site, Br is bonded in an L-shaped geometry to two equivalent Te 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:
1201844
Report Number(s):
mp-27648
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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