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

Title: Materials Data on MgNi3C by Materials Project

Abstract

MgCNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ni atoms to form MgNi12 cuboctahedra that share corners with twelve equivalent MgNi12 cuboctahedra, faces with six equivalent MgNi12 cuboctahedra, and faces with eight equivalent CNi6 octahedra. All Mg–Ni bond lengths are 2.69 Å. Ni is bonded in a distorted linear geometry to four equivalent Mg and two equivalent C atoms. Both Ni–C bond lengths are 1.91 Å. C is bonded to six equivalent Ni atoms to form CNi6 octahedra that share corners with six equivalent CNi6 octahedra and faces with eight equivalent MgNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-10700
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; MgNi3C; C-Mg-Ni
OSTI Identifier:
1187303
DOI:
https://doi.org/10.17188/1187303

Citation Formats

The Materials Project. Materials Data on MgNi3C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187303.
The Materials Project. Materials Data on MgNi3C by Materials Project. United States. doi:https://doi.org/10.17188/1187303
The Materials Project. 2020. "Materials Data on MgNi3C by Materials Project". United States. doi:https://doi.org/10.17188/1187303. https://www.osti.gov/servlets/purl/1187303. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187303,
title = {Materials Data on MgNi3C by Materials Project},
author = {The Materials Project},
abstractNote = {MgCNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ni atoms to form MgNi12 cuboctahedra that share corners with twelve equivalent MgNi12 cuboctahedra, faces with six equivalent MgNi12 cuboctahedra, and faces with eight equivalent CNi6 octahedra. All Mg–Ni bond lengths are 2.69 Å. Ni is bonded in a distorted linear geometry to four equivalent Mg and two equivalent C atoms. Both Ni–C bond lengths are 1.91 Å. C is bonded to six equivalent Ni atoms to form CNi6 octahedra that share corners with six equivalent CNi6 octahedra and faces with eight equivalent MgNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1187303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}