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Title: Materials Data on U2CrN3 by Materials Project

Abstract

U2CrN3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U3+ is bonded to seven N3- atoms to form a mixture of distorted corner, edge, and face-sharing UN7 pentagonal bipyramids. There are a spread of U–N bond distances ranging from 2.27–2.50 Å. Cr3+ is bonded in a square co-planar geometry to four N3- atoms. There is two shorter (1.85 Å) and two longer (2.06 Å) Cr–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent U3+ and two equivalent Cr3+ atoms to form NU4Cr2 octahedra that share corners with fourteen NU4Cr2 octahedra, edges with two equivalent NU4Cr2 octahedra, and faces with four equivalent NU5Cr octahedra. The corner-sharing octahedra tilt angles range from 0–58°. In the second N3- site, N3- is bonded to five equivalent U3+ and one Cr3+ atom to form distorted NU5Cr octahedra that share corners with eleven NU4Cr2 octahedra, edges with eight equivalent NU5Cr octahedra, and faces with two equivalent NU4Cr2 octahedra. The corner-sharing octahedra tilt angles range from 0–58°.

Publication Date:
Other Number(s):
mp-10247
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; U2CrN3; Cr-N-U
OSTI Identifier:
1186846
DOI:
10.17188/1186846

Citation Formats

The Materials Project. Materials Data on U2CrN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186846.
The Materials Project. Materials Data on U2CrN3 by Materials Project. United States. doi:10.17188/1186846.
The Materials Project. 2020. "Materials Data on U2CrN3 by Materials Project". United States. doi:10.17188/1186846. https://www.osti.gov/servlets/purl/1186846. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1186846,
title = {Materials Data on U2CrN3 by Materials Project},
author = {The Materials Project},
abstractNote = {U2CrN3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U3+ is bonded to seven N3- atoms to form a mixture of distorted corner, edge, and face-sharing UN7 pentagonal bipyramids. There are a spread of U–N bond distances ranging from 2.27–2.50 Å. Cr3+ is bonded in a square co-planar geometry to four N3- atoms. There is two shorter (1.85 Å) and two longer (2.06 Å) Cr–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent U3+ and two equivalent Cr3+ atoms to form NU4Cr2 octahedra that share corners with fourteen NU4Cr2 octahedra, edges with two equivalent NU4Cr2 octahedra, and faces with four equivalent NU5Cr octahedra. The corner-sharing octahedra tilt angles range from 0–58°. In the second N3- site, N3- is bonded to five equivalent U3+ and one Cr3+ atom to form distorted NU5Cr octahedra that share corners with eleven NU4Cr2 octahedra, edges with eight equivalent NU5Cr octahedra, and faces with two equivalent NU4Cr2 octahedra. The corner-sharing octahedra tilt angles range from 0–58°.},
doi = {10.17188/1186846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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