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Title: Materials Data on Mn3ZnC by Materials Project

Abstract

Mn3ZnC is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one methane molecule and one Mn3Zn framework. In the Mn3Zn framework, there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a linear geometry to two equivalent Zn atoms. Both Mn–Zn bond lengths are 2.30 Å. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Zn atoms. Both Mn–Zn bond lengths are 2.30 Å. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Zn atoms. Both Mn–Zn bond lengths are 2.29 Å. Zn is bonded to six Mn atoms to form corner-sharing ZnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-672229
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; Mn3ZnC; C-Mn-Zn
OSTI Identifier:
1281788
DOI:
10.17188/1281788

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mn3ZnC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281788.
Persson, Kristin, & Project, Materials. Materials Data on Mn3ZnC by Materials Project. United States. doi:10.17188/1281788.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mn3ZnC by Materials Project". United States. doi:10.17188/1281788. https://www.osti.gov/servlets/purl/1281788. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1281788,
title = {Materials Data on Mn3ZnC by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mn3ZnC is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one methane molecule and one Mn3Zn framework. In the Mn3Zn framework, there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a linear geometry to two equivalent Zn atoms. Both Mn–Zn bond lengths are 2.30 Å. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Zn atoms. Both Mn–Zn bond lengths are 2.30 Å. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Zn atoms. Both Mn–Zn bond lengths are 2.29 Å. Zn is bonded to six Mn atoms to form corner-sharing ZnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1281788},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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