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Title: Materials Data on Mg2CrN2 by Materials Project

Abstract

Mg2CrN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing MgN5 square pyramids. There are a spread of Mg–N bond distances ranging from 2.23–2.33 Å. In the second Mg2+ site, Mg2+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of Mg–N bond distances ranging from 2.12–2.24 Å. Cr2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of Cr–N bond distances ranging from 1.80–1.91 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Mg2+ and one Cr2+ atom to form a mixture of edge and corner-sharing NMg5Cr octahedra. The corner-sharing octahedra tilt angles range from 2–29°. In the second N3- site, N3- is bonded to four Mg2+ and two equivalent Cr2+ atoms to form a mixture of edge and corner-sharing NMg4Cr2 octahedra. The corner-sharing octahedra tilt angles range from 5–29°.

Publication Date:
Other Number(s):
mvc-15331
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; Mg2CrN2; Cr-Mg-N
OSTI Identifier:
1319429
DOI:
10.17188/1319429

Citation Formats

The Materials Project. Materials Data on Mg2CrN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319429.
The Materials Project. Materials Data on Mg2CrN2 by Materials Project. United States. doi:10.17188/1319429.
The Materials Project. 2020. "Materials Data on Mg2CrN2 by Materials Project". United States. doi:10.17188/1319429. https://www.osti.gov/servlets/purl/1319429. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1319429,
title = {Materials Data on Mg2CrN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2CrN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing MgN5 square pyramids. There are a spread of Mg–N bond distances ranging from 2.23–2.33 Å. In the second Mg2+ site, Mg2+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of Mg–N bond distances ranging from 2.12–2.24 Å. Cr2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of Cr–N bond distances ranging from 1.80–1.91 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Mg2+ and one Cr2+ atom to form a mixture of edge and corner-sharing NMg5Cr octahedra. The corner-sharing octahedra tilt angles range from 2–29°. In the second N3- site, N3- is bonded to four Mg2+ and two equivalent Cr2+ atoms to form a mixture of edge and corner-sharing NMg4Cr2 octahedra. The corner-sharing octahedra tilt angles range from 5–29°.},
doi = {10.17188/1319429},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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