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Title: Materials Data on Mn5Ge2 by Materials Project

Abstract

Mn5Ge2 crystallizes in the trigonal P3c1 space group. The structure is three-dimensional. there are seven inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four Mn and four Ge atoms. There are a spread of Mn–Mn bond distances ranging from 2.60–2.65 Å. There are a spread of Mn–Ge bond distances ranging from 2.41–2.45 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to one Mn and four Ge atoms. The Mn–Mn bond length is 2.60 Å. There are a spread of Mn–Ge bond distances ranging from 2.47–2.56 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to six Mn and four Ge atoms. All Mn–Mn bond lengths are 2.51 Å. There are three shorter (2.49 Å) and one longer (2.68 Å) Mn–Ge bond lengths. In the fourth Mn site, Mn is bonded in a 3-coordinate geometry to one Mn and four Ge atoms. The Mn–Mn bond length is 2.52 Å. There are a spread of Mn–Ge bond distances ranging from 2.52–2.86 Å. In the fifth Mn site, Mn is bonded in a 1-coordinate geometry to six Mn and five Ge atoms. There are a spreadmore » of Mn–Ge bond distances ranging from 2.49–2.70 Å. In the sixth Mn site, Mn is bonded in a 4-coordinate geometry to four Ge atoms. There are three shorter (2.52 Å) and one longer (2.64 Å) Mn–Ge bond lengths. In the seventh Mn site, Mn is bonded in a 4-coordinate geometry to four Ge atoms. There are three shorter (2.52 Å) and one longer (2.64 Å) Mn–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to eleven Mn atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-704981
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; Mn5Ge2; Ge-Mn
OSTI Identifier:
1285798
DOI:
10.17188/1285798

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mn5Ge2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285798.
Persson, Kristin, & Project, Materials. Materials Data on Mn5Ge2 by Materials Project. United States. doi:10.17188/1285798.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mn5Ge2 by Materials Project". United States. doi:10.17188/1285798. https://www.osti.gov/servlets/purl/1285798. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1285798,
title = {Materials Data on Mn5Ge2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mn5Ge2 crystallizes in the trigonal P3c1 space group. The structure is three-dimensional. there are seven inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four Mn and four Ge atoms. There are a spread of Mn–Mn bond distances ranging from 2.60–2.65 Å. There are a spread of Mn–Ge bond distances ranging from 2.41–2.45 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to one Mn and four Ge atoms. The Mn–Mn bond length is 2.60 Å. There are a spread of Mn–Ge bond distances ranging from 2.47–2.56 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to six Mn and four Ge atoms. All Mn–Mn bond lengths are 2.51 Å. There are three shorter (2.49 Å) and one longer (2.68 Å) Mn–Ge bond lengths. In the fourth Mn site, Mn is bonded in a 3-coordinate geometry to one Mn and four Ge atoms. The Mn–Mn bond length is 2.52 Å. There are a spread of Mn–Ge bond distances ranging from 2.52–2.86 Å. In the fifth Mn site, Mn is bonded in a 1-coordinate geometry to six Mn and five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.49–2.70 Å. In the sixth Mn site, Mn is bonded in a 4-coordinate geometry to four Ge atoms. There are three shorter (2.52 Å) and one longer (2.64 Å) Mn–Ge bond lengths. In the seventh Mn site, Mn is bonded in a 4-coordinate geometry to four Ge atoms. There are three shorter (2.52 Å) and one longer (2.64 Å) Mn–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to eleven Mn atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to ten Mn atoms.},
doi = {10.17188/1285798},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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