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Title: Materials Data on ThCuN2 by Materials Project

Abstract

ThCuN2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Th–N bond lengths are 2.60 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 1.99 Å. N3- is bonded to four equivalent Th4+ and two equivalent Cu2+ atoms to form a mixture of edge, face, and corner-sharing NTh4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°.

Publication Date:
Other Number(s):
mp-1147759
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; ThCuN2; Cu-N-Th
OSTI Identifier:
1664049
DOI:
https://doi.org/10.17188/1664049

Citation Formats

The Materials Project. Materials Data on ThCuN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664049.
The Materials Project. Materials Data on ThCuN2 by Materials Project. United States. doi:https://doi.org/10.17188/1664049
The Materials Project. 2020. "Materials Data on ThCuN2 by Materials Project". United States. doi:https://doi.org/10.17188/1664049. https://www.osti.gov/servlets/purl/1664049. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1664049,
title = {Materials Data on ThCuN2 by Materials Project},
author = {The Materials Project},
abstractNote = {ThCuN2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Th–N bond lengths are 2.60 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 1.99 Å. N3- is bonded to four equivalent Th4+ and two equivalent Cu2+ atoms to form a mixture of edge, face, and corner-sharing NTh4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°.},
doi = {10.17188/1664049},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}