Title: Materials Data on HfIN by Materials Project

Abstract

HfNI crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three HfNI sheets oriented in the (0, 0, 1) direction. Hf4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent I1- atoms. There are one shorter (2.13 Å) and three longer (2.18 Å) Hf–N bond lengths. All Hf–I bond lengths are 3.07 Å. N3- is bonded to four equivalent Hf4+ atoms to form a mixture of distorted corner and edge-sharing NHf4 trigonal pyramids. I1- is bonded in a 12-coordinate geometry to three equivalent Hf4+ atoms.

Publication Date:
Other Number(s):
mp-567441
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Hf-I-N; HfIN
OSTI Identifier:
1273876
DOI:
https://doi.org/10.17188/1273876

Citation Formats

Materials Data on HfIN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273876.
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Materials Data on HfIN by Materials Project. United States. doi:https://doi.org/10.17188/1273876
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2020. "Materials Data on HfIN by Materials Project". United States. doi:https://doi.org/10.17188/1273876. https://www.osti.gov/servlets/purl/1273876. Pub date:Mon Jul 13 20:00:00 EDT 2020
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@article{osti_1273876,
title = {Materials Data on HfIN by Materials Project},
abstractNote = {HfNI crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three HfNI sheets oriented in the (0, 0, 1) direction. Hf4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent I1- atoms. There are one shorter (2.13 Å) and three longer (2.18 Å) Hf–N bond lengths. All Hf–I bond lengths are 3.07 Å. N3- is bonded to four equivalent Hf4+ atoms to form a mixture of distorted corner and edge-sharing NHf4 trigonal pyramids. I1- is bonded in a 12-coordinate geometry to three equivalent Hf4+ atoms.},
doi = {10.17188/1273876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1273876
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