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Title: Materials Data on Mn8Zn14Ga27 by Materials Project

Abstract

Mn8Zn14Ga27 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 10-coordinate geometry to three Zn and seven Ga atoms. There are a spread of Mn–Zn bond distances ranging from 2.69–2.78 Å. There are a spread of Mn–Ga bond distances ranging from 2.43–2.50 Å. In the second Mn site, Mn is bonded in a 10-coordinate geometry to four Zn and six Ga atoms. There are one shorter (2.71 Å) and three longer (2.81 Å) Mn–Zn bond lengths. There are three shorter (2.43 Å) and three longer (2.47 Å) Mn–Ga bond lengths. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 8-coordinate geometry to two equivalent Mn and six equivalent Ga atoms. All Zn–Ga bond lengths are 2.73 Å. In the second Zn site, Zn is bonded in a 11-coordinate geometry to two Mn, five Zn, and four Ga atoms. There are a spread of Zn–Zn bond distances ranging from 2.74–2.80 Å. There are a spread of Zn–Ga bond distances ranging from 2.72–2.82 Å. In the third Zn site, Zn is bonded in a 11-coordinate geometry tomore » two equivalent Mn, five Zn, and four Ga atoms. All Zn–Zn bond lengths are 2.77 Å. There are a spread of Zn–Ga bond distances ranging from 2.71–2.83 Å. In the fourth Zn site, Zn is bonded in a cuboctahedral geometry to twelve Zn atoms. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mn, two equivalent Zn, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.78 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two Mn, two equivalent Zn, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.88 Å. In the third Ga site, Ga is bonded in a 8-coordinate geometry to two Mn, one Zn, and five Ga atoms. There are one shorter (2.71 Å) and one longer (2.81 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mn, two Zn, and five Ga atoms. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Mn, four Zn, and four Ga atoms.« less

Publication Date:
Other Number(s):
mp-580480
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; Mn8Zn14Ga27; Ga-Mn-Zn
OSTI Identifier:
1276774
DOI:
https://doi.org/10.17188/1276774

Citation Formats

The Materials Project. Materials Data on Mn8Zn14Ga27 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276774.
The Materials Project. Materials Data on Mn8Zn14Ga27 by Materials Project. United States. doi:https://doi.org/10.17188/1276774
The Materials Project. 2020. "Materials Data on Mn8Zn14Ga27 by Materials Project". United States. doi:https://doi.org/10.17188/1276774. https://www.osti.gov/servlets/purl/1276774. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1276774,
title = {Materials Data on Mn8Zn14Ga27 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn8Zn14Ga27 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 10-coordinate geometry to three Zn and seven Ga atoms. There are a spread of Mn–Zn bond distances ranging from 2.69–2.78 Å. There are a spread of Mn–Ga bond distances ranging from 2.43–2.50 Å. In the second Mn site, Mn is bonded in a 10-coordinate geometry to four Zn and six Ga atoms. There are one shorter (2.71 Å) and three longer (2.81 Å) Mn–Zn bond lengths. There are three shorter (2.43 Å) and three longer (2.47 Å) Mn–Ga bond lengths. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 8-coordinate geometry to two equivalent Mn and six equivalent Ga atoms. All Zn–Ga bond lengths are 2.73 Å. In the second Zn site, Zn is bonded in a 11-coordinate geometry to two Mn, five Zn, and four Ga atoms. There are a spread of Zn–Zn bond distances ranging from 2.74–2.80 Å. There are a spread of Zn–Ga bond distances ranging from 2.72–2.82 Å. In the third Zn site, Zn is bonded in a 11-coordinate geometry to two equivalent Mn, five Zn, and four Ga atoms. All Zn–Zn bond lengths are 2.77 Å. There are a spread of Zn–Ga bond distances ranging from 2.71–2.83 Å. In the fourth Zn site, Zn is bonded in a cuboctahedral geometry to twelve Zn atoms. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mn, two equivalent Zn, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.78 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two Mn, two equivalent Zn, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.88 Å. In the third Ga site, Ga is bonded in a 8-coordinate geometry to two Mn, one Zn, and five Ga atoms. There are one shorter (2.71 Å) and one longer (2.81 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mn, two Zn, and five Ga atoms. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Mn, four Zn, and four Ga atoms.},
doi = {10.17188/1276774},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}