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Title: Materials Data on Mn6ZnGaC2 by Materials Project

Abstract

Mn6ZnGa(C)2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of two methane molecules and one Mn6ZnGa framework. In the Mn6ZnGa framework, there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a linear geometry to one Zn and one Ga atom. The Mn–Zn bond length is 2.29 Å. The Mn–Ga bond length is 2.32 Å. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.31 Å. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Zn atoms. Both Mn–Zn bond lengths are 2.31 Å. Zn is bonded to six Mn atoms to form ZnMn6 octahedra that share corners with two equivalent GaMn6 octahedra and corners with four equivalent ZnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°. Ga is bonded to six Mn atoms to form GaMn6 octahedra that share corners with two equivalent ZnMn6 octahedra and corners with four equivalent GaMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1221882
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; Mn6ZnGaC2; C-Ga-Mn-Zn
OSTI Identifier:
1656426
DOI:
https://doi.org/10.17188/1656426

Citation Formats

The Materials Project. Materials Data on Mn6ZnGaC2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1656426.
The Materials Project. Materials Data on Mn6ZnGaC2 by Materials Project. United States. doi:https://doi.org/10.17188/1656426
The Materials Project. 2019. "Materials Data on Mn6ZnGaC2 by Materials Project". United States. doi:https://doi.org/10.17188/1656426. https://www.osti.gov/servlets/purl/1656426. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1656426,
title = {Materials Data on Mn6ZnGaC2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn6ZnGa(C)2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of two methane molecules and one Mn6ZnGa framework. In the Mn6ZnGa framework, there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a linear geometry to one Zn and one Ga atom. The Mn–Zn bond length is 2.29 Å. The Mn–Ga bond length is 2.32 Å. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.31 Å. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Zn atoms. Both Mn–Zn bond lengths are 2.31 Å. Zn is bonded to six Mn atoms to form ZnMn6 octahedra that share corners with two equivalent GaMn6 octahedra and corners with four equivalent ZnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°. Ga is bonded to six Mn atoms to form GaMn6 octahedra that share corners with two equivalent ZnMn6 octahedra and corners with four equivalent GaMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1656426},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}