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

Title: Materials Data on Cr3AsN by Materials Project

Abstract

Cr3AsN crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a distorted bent 150 degrees geometry to two equivalent As3- and two equivalent N3- atoms. Both Cr–As bond lengths are 2.42 Å. Both Cr–N bond lengths are 1.95 Å. In the second Cr2+ site, Cr2+ is bonded in a linear geometry to four equivalent As3- and two equivalent N3- atoms. All Cr–As bond lengths are 2.67 Å. Both Cr–N bond lengths are 1.98 Å. As3- is bonded in a 12-coordinate geometry to eight Cr2+ atoms. N3- is bonded to six Cr2+ atoms to form corner-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-22209
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; Cr3AsN; As-Cr-N
OSTI Identifier:
1197424
DOI:
10.17188/1197424

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cr3AsN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197424.
Persson, Kristin, & Project, Materials. Materials Data on Cr3AsN by Materials Project. United States. doi:10.17188/1197424.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cr3AsN by Materials Project". United States. doi:10.17188/1197424. https://www.osti.gov/servlets/purl/1197424. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197424,
title = {Materials Data on Cr3AsN by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cr3AsN crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a distorted bent 150 degrees geometry to two equivalent As3- and two equivalent N3- atoms. Both Cr–As bond lengths are 2.42 Å. Both Cr–N bond lengths are 1.95 Å. In the second Cr2+ site, Cr2+ is bonded in a linear geometry to four equivalent As3- and two equivalent N3- atoms. All Cr–As bond lengths are 2.67 Å. Both Cr–N bond lengths are 1.98 Å. As3- is bonded in a 12-coordinate geometry to eight Cr2+ atoms. N3- is bonded to six Cr2+ atoms to form corner-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°.},
doi = {10.17188/1197424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: