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Materials Data on LuSe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1350341· OSTI ID:1350341
LuSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Lu–Se bond distances ranging from 2.90–3.02 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded to five equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing SeLu5 trigonal bipyramids. In the second Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Lu3+ atoms.
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:
1350341
Report Number(s):
mp-1018793
Country of Publication:
United States
Language:
English

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