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Title: Materials Data on Dy2Mn9(CrGe4)3 by Materials Project

Abstract

Dy2Mn9(CrGe4)3 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four Cr and eight Ge atoms to form a mixture of distorted edge and face-sharing DyCr4Ge8 hexagonal bipyramids. All Dy–Cr bond lengths are 3.30 Å. There are a spread of Dy–Ge bond distances ranging from 2.84–2.97 Å. In the second Dy site, Dy is bonded to four Mn and eight Ge atoms to form a mixture of distorted edge and face-sharing DyMn4Ge8 hexagonal bipyramids. There are two shorter (3.29 Å) and two longer (3.30 Å) Dy–Mn bond lengths. There are a spread of Dy–Ge bond distances ranging from 2.84–2.97 Å. There are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, two equivalent Mn, and six Ge atoms. Both Cr–Cr bond lengths are 2.56 Å. Both Cr–Mn bond lengths are 2.57 Å. There are four shorter (2.56 Å) and two longer (2.68 Å) Cr–Ge bond lengths. In the second Cr site, Cr is bonded in a 12-coordinate geometry to four Mn and six Ge atoms. There are two shortermore » (2.56 Å) and two longer (2.57 Å) Cr–Mn bond lengths. There are four shorter (2.55 Å) and two longer (2.68 Å) Cr–Ge bond lengths. In the third Cr site, Cr is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, two equivalent Mn, and six Ge atoms. Both Cr–Mn bond lengths are 2.56 Å. There are a spread of Cr–Ge bond distances ranging from 2.55–2.69 Å. There are nine inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, two equivalent Mn, and six Ge atoms. Both Mn–Mn bond lengths are 2.56 Å. There are four shorter (2.55 Å) and two longer (2.69 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded in a 10-coordinate geometry to four Cr and six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.55–2.68 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, two equivalent Mn, and six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.54–2.68 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.68 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are four shorter (2.52 Å) and two longer (2.68 Å) Mn–Ge bond lengths. In the sixth Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are four shorter (2.52 Å) and two longer (2.69 Å) Mn–Ge bond lengths. In the seventh Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.51–2.69 Å. In the eighth Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.50–2.68 Å. In the ninth Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.51–2.69 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, four Cr, two equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, two equivalent Cr, four Mn, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, six Mn, and one Ge atom. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, six Mn, and one Ge atom. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two Cr and four Mn atoms. In the sixth Ge site, Ge is bonded in a 6-coordinate geometry to one Cr and five Mn atoms. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Dy, one Cr, and five Mn atoms. In the eighth Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Dy, two Cr, and four Mn atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1225977
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; Dy2Mn9(CrGe4)3; Cr-Dy-Ge-Mn
OSTI Identifier:
1708350
DOI:
https://doi.org/10.17188/1708350

Citation Formats

The Materials Project. Materials Data on Dy2Mn9(CrGe4)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1708350.
The Materials Project. Materials Data on Dy2Mn9(CrGe4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1708350
The Materials Project. 2019. "Materials Data on Dy2Mn9(CrGe4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1708350. https://www.osti.gov/servlets/purl/1708350. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1708350,
title = {Materials Data on Dy2Mn9(CrGe4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2Mn9(CrGe4)3 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four Cr and eight Ge atoms to form a mixture of distorted edge and face-sharing DyCr4Ge8 hexagonal bipyramids. All Dy–Cr bond lengths are 3.30 Å. There are a spread of Dy–Ge bond distances ranging from 2.84–2.97 Å. In the second Dy site, Dy is bonded to four Mn and eight Ge atoms to form a mixture of distorted edge and face-sharing DyMn4Ge8 hexagonal bipyramids. There are two shorter (3.29 Å) and two longer (3.30 Å) Dy–Mn bond lengths. There are a spread of Dy–Ge bond distances ranging from 2.84–2.97 Å. There are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, two equivalent Mn, and six Ge atoms. Both Cr–Cr bond lengths are 2.56 Å. Both Cr–Mn bond lengths are 2.57 Å. There are four shorter (2.56 Å) and two longer (2.68 Å) Cr–Ge bond lengths. In the second Cr site, Cr is bonded in a 12-coordinate geometry to four Mn and six Ge atoms. There are two shorter (2.56 Å) and two longer (2.57 Å) Cr–Mn bond lengths. There are four shorter (2.55 Å) and two longer (2.68 Å) Cr–Ge bond lengths. In the third Cr site, Cr is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, two equivalent Mn, and six Ge atoms. Both Cr–Mn bond lengths are 2.56 Å. There are a spread of Cr–Ge bond distances ranging from 2.55–2.69 Å. There are nine inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, two equivalent Mn, and six Ge atoms. Both Mn–Mn bond lengths are 2.56 Å. There are four shorter (2.55 Å) and two longer (2.69 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded in a 10-coordinate geometry to four Cr and six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.55–2.68 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, two equivalent Mn, and six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.54–2.68 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.68 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are four shorter (2.52 Å) and two longer (2.68 Å) Mn–Ge bond lengths. In the sixth Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are four shorter (2.52 Å) and two longer (2.69 Å) Mn–Ge bond lengths. In the seventh Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.51–2.69 Å. In the eighth Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.50–2.68 Å. In the ninth Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.51–2.69 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, four Cr, two equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, two equivalent Cr, four Mn, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, six Mn, and one Ge atom. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, six Mn, and one Ge atom. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two Cr and four Mn atoms. In the sixth Ge site, Ge is bonded in a 6-coordinate geometry to one Cr and five Mn atoms. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Dy, one Cr, and five Mn atoms. In the eighth Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Dy, two Cr, and four Mn atoms.},
doi = {10.17188/1708350},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}