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Title: Materials Data on Mn4Nb7Ge8 by Materials Project

Abstract

Nb7Mn4Ge8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Nb sites. In the first Nb site, Nb is bonded to seven Ge atoms to form a mixture of distorted face and corner-sharing NbGe7 pentagonal bipyramids. There are a spread of Nb–Ge bond distances ranging from 2.76–2.97 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.63–3.02 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.68–2.98 Å. In the fourth Nb site, Nb is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.67–2.74 Å. In the fifth Nb site, Nb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.62–2.91 Å. In the sixth Nb site, Nb is bonded to seven Ge atoms to form a mixture of distorted edge, face, and corner-sharing NbGe7 pentagonal bipyramids. There are a spread of Nb–Ge bond distances rangingmore » from 2.60–2.84 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.56–2.63 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.47–2.79 Å. In the third Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.48–2.82 Å. There are seven inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Nb atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Nb and three Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Nb and four Mn atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to five Nb, two Mn, and two equivalent Ge atoms. There are one shorter (2.57 Å) and one longer (2.67 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to four Nb and five Mn atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to four Nb and four Mn atoms. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to four Nb and four Mn atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-29906
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mn4Nb7Ge8; Ge-Mn-Nb
OSTI Identifier:
1204335
DOI:
https://doi.org/10.17188/1204335

Citation Formats

The Materials Project. Materials Data on Mn4Nb7Ge8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204335.
The Materials Project. Materials Data on Mn4Nb7Ge8 by Materials Project. United States. doi:https://doi.org/10.17188/1204335
The Materials Project. 2020. "Materials Data on Mn4Nb7Ge8 by Materials Project". United States. doi:https://doi.org/10.17188/1204335. https://www.osti.gov/servlets/purl/1204335. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1204335,
title = {Materials Data on Mn4Nb7Ge8 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb7Mn4Ge8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Nb sites. In the first Nb site, Nb is bonded to seven Ge atoms to form a mixture of distorted face and corner-sharing NbGe7 pentagonal bipyramids. There are a spread of Nb–Ge bond distances ranging from 2.76–2.97 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.63–3.02 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.68–2.98 Å. In the fourth Nb site, Nb is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.67–2.74 Å. In the fifth Nb site, Nb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.62–2.91 Å. In the sixth Nb site, Nb is bonded to seven Ge atoms to form a mixture of distorted edge, face, and corner-sharing NbGe7 pentagonal bipyramids. There are a spread of Nb–Ge bond distances ranging from 2.60–2.84 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.56–2.63 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.47–2.79 Å. In the third Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.48–2.82 Å. There are seven inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Nb atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Nb and three Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Nb and four Mn atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to five Nb, two Mn, and two equivalent Ge atoms. There are one shorter (2.57 Å) and one longer (2.67 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to four Nb and five Mn atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to four Nb and four Mn atoms. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to four Nb and four Mn atoms.},
doi = {10.17188/1204335},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}