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Materials Data on NdTeF by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189087· OSTI ID:1189087
NdTeF is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to five equivalent Te2- and four equivalent F1- atoms. There are four shorter (3.22 Å) and one longer (3.38 Å) Nd–Te bond lengths. All Nd–F bond lengths are 2.60 Å. Te2- is bonded in a 9-coordinate geometry to five equivalent Nd3+ and four equivalent F1- atoms. All Te–F bond lengths are 3.47 Å. F1- is bonded to four equivalent Nd3+ and four equivalent Te2- atoms to form a mixture of edge and face-sharing FNd4Te4 tetrahedra.
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:
1189087
Report Number(s):
mp-12621
Country of Publication:
United States
Language:
English

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