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Title: Materials Data on Mn3NiN by Materials Project

Abstract

Mn3NiN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Ni and two equivalent N atoms. All Mn–Ni bond lengths are 2.71 Å. Both Mn–N bond lengths are 1.92 Å. Ni is bonded to twelve equivalent Mn atoms to form NiMn12 cuboctahedra that share corners with twelve equivalent NiMn12 cuboctahedra, faces with six equivalent NiMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent NiMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-20362
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; Mn3NiN; Mn-N-Ni
OSTI Identifier:
1195484
DOI:
https://doi.org/10.17188/1195484

Citation Formats

The Materials Project. Materials Data on Mn3NiN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195484.
The Materials Project. Materials Data on Mn3NiN by Materials Project. United States. doi:https://doi.org/10.17188/1195484
The Materials Project. 2020. "Materials Data on Mn3NiN by Materials Project". United States. doi:https://doi.org/10.17188/1195484. https://www.osti.gov/servlets/purl/1195484. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195484,
title = {Materials Data on Mn3NiN by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3NiN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Ni and two equivalent N atoms. All Mn–Ni bond lengths are 2.71 Å. Both Mn–N bond lengths are 1.92 Å. Ni is bonded to twelve equivalent Mn atoms to form NiMn12 cuboctahedra that share corners with twelve equivalent NiMn12 cuboctahedra, faces with six equivalent NiMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent NiMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1195484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}