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Materials Data on ZrSeO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1290489· OSTI ID:1290489
ZrSeO crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Zr4+ is bonded in a 3-coordinate geometry to four equivalent Se2- and three equivalent O2- atoms. There are one shorter (2.68 Å) and three longer (2.87 Å) Zr–Se bond lengths. All Zr–O bond lengths are 2.13 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Zr4+ and seven equivalent O2- atoms. There are a spread of Se–O bond distances ranging from 3.11–3.19 Å. O2- is bonded in a trigonal planar geometry to three equivalent Zr4+ and seven equivalent Se2- 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:
1290489
Report Number(s):
mp-756361
Country of Publication:
United States
Language:
English

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