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Materials Data on Nd3TlTe6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1751460· OSTI ID:1751460
TlNd3Te6 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two neodymium molecules; four tellurium molecules; and one Nd2TlTe4 sheet oriented in the (0, 0, 1) direction. In the Nd2TlTe4 sheet, Nd3+ is bonded in a linear geometry to two equivalent Te2- atoms. Both Nd–Te bond lengths are 2.88 Å. Tl3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Te2- atoms. All Tl–Te bond lengths are 3.44 Å. Te2- is bonded in a 2-coordinate geometry to one Nd3+, one Tl3+, and one Te2- atom. The Te–Te bond length is 3.28 Å.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1751460
Report Number(s):
mp-1207323
Country of Publication:
United States
Language:
English

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