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Title: Materials Data on Hf3N2 by Materials Project

Abstract

Hf3N2 is MAX Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Hf3N2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a distorted T-shaped geometry to three equivalent N atoms. All Hf–N bond lengths are 2.29 Å. In the second Hf site, Hf is bonded to six equivalent N atoms to form edge-sharing HfN6 octahedra. All Hf–N bond lengths are 2.26 Å. N is bonded to six Hf atoms to form a mixture of edge and corner-sharing NHf6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1224388
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Hf3N2; Hf-N
OSTI Identifier:
1656252
DOI:
https://doi.org/10.17188/1656252

Citation Formats

The Materials Project. Materials Data on Hf3N2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656252.
The Materials Project. Materials Data on Hf3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1656252
The Materials Project. 2020. "Materials Data on Hf3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1656252. https://www.osti.gov/servlets/purl/1656252. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1656252,
title = {Materials Data on Hf3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf3N2 is MAX Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Hf3N2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a distorted T-shaped geometry to three equivalent N atoms. All Hf–N bond lengths are 2.29 Å. In the second Hf site, Hf is bonded to six equivalent N atoms to form edge-sharing HfN6 octahedra. All Hf–N bond lengths are 2.26 Å. N is bonded to six Hf atoms to form a mixture of edge and corner-sharing NHf6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1656252},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}