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Title: Materials Data on Mn6Ga2CN by Materials Project

Abstract

(Mn3Ga)4(C)2N2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one ammonia molecule, one methane molecule, and one Mn3Ga framework. In the Mn3Ga framework, there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.36 Å. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.34 Å. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.35 Å. Ga is bonded to six Mn atoms to form corner-sharing GaMn6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.

Authors:
Publication Date:
Other Number(s):
mp-1221614
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; Mn6Ga2CN; C-Ga-Mn-N
OSTI Identifier:
1741953
DOI:
https://doi.org/10.17188/1741953

Citation Formats

The Materials Project. Materials Data on Mn6Ga2CN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741953.
The Materials Project. Materials Data on Mn6Ga2CN by Materials Project. United States. doi:https://doi.org/10.17188/1741953
The Materials Project. 2020. "Materials Data on Mn6Ga2CN by Materials Project". United States. doi:https://doi.org/10.17188/1741953. https://www.osti.gov/servlets/purl/1741953. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1741953,
title = {Materials Data on Mn6Ga2CN by Materials Project},
author = {The Materials Project},
abstractNote = {(Mn3Ga)4(C)2N2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one ammonia molecule, one methane molecule, and one Mn3Ga framework. In the Mn3Ga framework, there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.36 Å. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.34 Å. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.35 Å. Ga is bonded to six Mn atoms to form corner-sharing GaMn6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.},
doi = {10.17188/1741953},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}