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Title: Materials Data on Mn5Ge2 by Materials Project

Abstract

Mn5Ge2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are one shorter (2.58 Å) and one longer (2.65 Å) Mn–Mn bond lengths. All Mn–Ge bond lengths are 2.53 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. Both Mn–Mn bond lengths are 2.51 Å. There are a spread of Mn–Ge bond distances ranging from 2.56–2.66 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are one shorter (2.58 Å) and one longer (2.65 Å) Mn–Mn bond lengths. There are one shorter (2.52 Å) and three longer (2.53 Å) Mn–Ge bond lengths. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are one shorter (2.54 Å) and one longer (2.64 Å) Mn–Mn bond lengths. There are two shorter (2.53 Å) and two longer (2.56 Å) Mn–Ge bond lengths. In the fifth Mn site, Mn is bonded to eightmore » Mn and four Ge atoms to form a mixture of distorted face and corner-sharing MnMn8Ge4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.51–2.66 Å. There are a spread of Mn–Ge bond distances ranging from 2.52–2.55 Å. In the sixth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. The Mn–Mn bond length is 2.51 Å. There are a spread of Mn–Ge bond distances ranging from 2.55–2.66 Å. In the seventh Mn site, Mn is bonded in a 4-coordinate geometry to two 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 2.56–2.65 Å. In the eighth Mn site, Mn is bonded in a 4-coordinate geometry to six Mn and four Ge atoms. There are one shorter (2.50 Å) and one longer (2.55 Å) Mn–Mn bond lengths. There are a spread of Mn–Ge bond distances ranging from 2.55–2.66 Å. In the ninth Mn site, Mn is bonded to eight Mn and four Ge atoms to form a mixture of distorted face and corner-sharing MnMn8Ge4 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.55 Å) Mn–Ge bond lengths. In the tenth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.57 Å. 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 10-coordinate geometry to ten 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-632686
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:
1279334
DOI:
10.17188/1279334

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mn5Ge2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279334.
Persson, Kristin, & Project, Materials. Materials Data on Mn5Ge2 by Materials Project. United States. doi:10.17188/1279334.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mn5Ge2 by Materials Project". United States. doi:10.17188/1279334. https://www.osti.gov/servlets/purl/1279334. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1279334,
title = {Materials Data on Mn5Ge2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mn5Ge2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are one shorter (2.58 Å) and one longer (2.65 Å) Mn–Mn bond lengths. All Mn–Ge bond lengths are 2.53 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. Both Mn–Mn bond lengths are 2.51 Å. There are a spread of Mn–Ge bond distances ranging from 2.56–2.66 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are one shorter (2.58 Å) and one longer (2.65 Å) Mn–Mn bond lengths. There are one shorter (2.52 Å) and three longer (2.53 Å) Mn–Ge bond lengths. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are one shorter (2.54 Å) and one longer (2.64 Å) Mn–Mn bond lengths. There are two shorter (2.53 Å) and two longer (2.56 Å) Mn–Ge bond lengths. In the fifth Mn site, Mn is bonded to eight Mn and four Ge atoms to form a mixture of distorted face and corner-sharing MnMn8Ge4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.51–2.66 Å. There are a spread of Mn–Ge bond distances ranging from 2.52–2.55 Å. In the sixth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. The Mn–Mn bond length is 2.51 Å. There are a spread of Mn–Ge bond distances ranging from 2.55–2.66 Å. In the seventh Mn site, Mn is bonded in a 4-coordinate geometry to two 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 2.56–2.65 Å. In the eighth Mn site, Mn is bonded in a 4-coordinate geometry to six Mn and four Ge atoms. There are one shorter (2.50 Å) and one longer (2.55 Å) Mn–Mn bond lengths. There are a spread of Mn–Ge bond distances ranging from 2.55–2.66 Å. In the ninth Mn site, Mn is bonded to eight Mn and four Ge atoms to form a mixture of distorted face and corner-sharing MnMn8Ge4 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.55 Å) Mn–Ge bond lengths. In the tenth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and four Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.57 Å. 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 10-coordinate geometry to ten 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 = {10.17188/1279334},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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