DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na2HfN2 by Materials Project

Abstract

Na2HfN2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Na2HfN2 sheet oriented in the (0, 0, 1) direction. Na1+ is bonded in a distorted T-shaped geometry to three equivalent N3- atoms. All Na–N bond lengths are 2.41 Å. Hf4+ is bonded to six equivalent N3- atoms to form edge-sharing HfN6 octahedra. All Hf–N bond lengths are 2.23 Å. N3- is bonded to three equivalent Na1+ and three equivalent Hf4+ atoms to form a mixture of edge and corner-sharing NNa3Hf3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1029309
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na2HfN2; Hf-N-Na
OSTI Identifier:
1748865
DOI:
https://doi.org/10.17188/1748865

Citation Formats

The Materials Project. Materials Data on Na2HfN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748865.
The Materials Project. Materials Data on Na2HfN2 by Materials Project. United States. doi:https://doi.org/10.17188/1748865
The Materials Project. 2020. "Materials Data on Na2HfN2 by Materials Project". United States. doi:https://doi.org/10.17188/1748865. https://www.osti.gov/servlets/purl/1748865. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748865,
title = {Materials Data on Na2HfN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2HfN2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Na2HfN2 sheet oriented in the (0, 0, 1) direction. Na1+ is bonded in a distorted T-shaped geometry to three equivalent N3- atoms. All Na–N bond lengths are 2.41 Å. Hf4+ is bonded to six equivalent N3- atoms to form edge-sharing HfN6 octahedra. All Hf–N bond lengths are 2.23 Å. N3- is bonded to three equivalent Na1+ and three equivalent Hf4+ atoms to form a mixture of edge and corner-sharing NNa3Hf3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1748865},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}