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Title: Materials Data on Tm2Mn12GaGe11 by Materials Project

Abstract

Tm2Mn12GaGe11 crystallizes in the hexagonal P6mm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to one Ga and seven Ge atoms to form distorted TmGaGe7 hexagonal bipyramids that share a cornercorner with one GeTmMn6Ga hexagonal bipyramid and edges with six equivalent TmGaGe7 hexagonal bipyramids. The Tm–Ga bond length is 2.79 Å. There are one shorter (2.80 Å) and six longer (2.99 Å) Tm–Ge bond lengths. In the second Tm site, Tm is bonded to eight Ge atoms to form distorted edge-sharing TmGe8 hexagonal bipyramids. There are a spread of Tm–Ge bond distances ranging from 2.78–2.99 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ga and four Ge atoms. Both Mn–Ga bond lengths are 2.70 Å. There are two shorter (2.50 Å) and two longer (2.52 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are four shorter (2.52 Å) and two longer (2.70 Å) Mn–Ge bond lengths. In the third Mn site, Mn is bonded in a 12-coordinate geometry to six Gemore » atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.70 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 2.52–2.69 Å. Ga is bonded in a 8-coordinate geometry to one Tm, six equivalent Mn, and one Ge atom. The Ga–Ge bond length is 2.54 Å. There are seven inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Tm and six Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Tm and six Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six Mn atoms. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to six Mn atoms. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to one Tm, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the sixth Ge site, Ge is bonded to one Tm, six equivalent Mn, and one Ga atom to form distorted GeTmMn6Ga hexagonal bipyramids that share a cornercorner with one TmGaGe7 hexagonal bipyramid and corners with six equivalent GeTmMn6Ga hexagonal bipyramids. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to one Tm, six equivalent Mn, and one Ge atom.« less

Publication Date:
Other Number(s):
mp-1216985
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; Tm2Mn12GaGe11; Ga-Ge-Mn-Tm
OSTI Identifier:
1729075
DOI:
https://doi.org/10.17188/1729075

Citation Formats

The Materials Project. Materials Data on Tm2Mn12GaGe11 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729075.
The Materials Project. Materials Data on Tm2Mn12GaGe11 by Materials Project. United States. doi:https://doi.org/10.17188/1729075
The Materials Project. 2019. "Materials Data on Tm2Mn12GaGe11 by Materials Project". United States. doi:https://doi.org/10.17188/1729075. https://www.osti.gov/servlets/purl/1729075. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1729075,
title = {Materials Data on Tm2Mn12GaGe11 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm2Mn12GaGe11 crystallizes in the hexagonal P6mm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to one Ga and seven Ge atoms to form distorted TmGaGe7 hexagonal bipyramids that share a cornercorner with one GeTmMn6Ga hexagonal bipyramid and edges with six equivalent TmGaGe7 hexagonal bipyramids. The Tm–Ga bond length is 2.79 Å. There are one shorter (2.80 Å) and six longer (2.99 Å) Tm–Ge bond lengths. In the second Tm site, Tm is bonded to eight Ge atoms to form distorted edge-sharing TmGe8 hexagonal bipyramids. There are a spread of Tm–Ge bond distances ranging from 2.78–2.99 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ga and four Ge atoms. Both Mn–Ga bond lengths are 2.70 Å. There are two shorter (2.50 Å) and two longer (2.52 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are four shorter (2.52 Å) and two longer (2.70 Å) Mn–Ge bond lengths. In the third 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 2.52–2.70 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 2.52–2.69 Å. Ga is bonded in a 8-coordinate geometry to one Tm, six equivalent Mn, and one Ge atom. The Ga–Ge bond length is 2.54 Å. There are seven inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Tm and six Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Tm and six Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six Mn atoms. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to six Mn atoms. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to one Tm, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the sixth Ge site, Ge is bonded to one Tm, six equivalent Mn, and one Ga atom to form distorted GeTmMn6Ga hexagonal bipyramids that share a cornercorner with one TmGaGe7 hexagonal bipyramid and corners with six equivalent GeTmMn6Ga hexagonal bipyramids. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to one Tm, six equivalent Mn, and one Ge atom.},
doi = {10.17188/1729075},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}