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Title: Materials Data on TmMn6GaGe5 by Materials Project

Abstract

TmMn6Ge5Ga1 crystallizes in the hexagonal P6mm space group. The structure is three-dimensional. 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 2.81 Å. There are one shorter (2.80 Å) and six longer (2.99 Å) Tm–Ge bond lengths. There are two inequivalent Mn sites. In the first 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 second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ga and four Ge atoms. Both Mn–Ga bond lengths are 2.72 Å. There are two shorter (2.51 Å) and two longer (2.52 Å) Mn–Ge bond lengths. Ga is bonded in a 8-coordinate geometry to one Tm, six equivalent Mn, and one Ge atom. The Ga–Ge bond length is 2.51 Å. There are three 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 inmore » a 6-coordinate geometry to six Mn atoms. In the third 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.« less

Authors:
Publication Date:
Other Number(s):
mp-1216795
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; TmMn6GaGe5; Ga-Ge-Mn-Tm
OSTI Identifier:
1651662
DOI:
https://doi.org/10.17188/1651662

Citation Formats

The Materials Project. Materials Data on TmMn6GaGe5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1651662.
The Materials Project. Materials Data on TmMn6GaGe5 by Materials Project. United States. doi:https://doi.org/10.17188/1651662
The Materials Project. 2019. "Materials Data on TmMn6GaGe5 by Materials Project". United States. doi:https://doi.org/10.17188/1651662. https://www.osti.gov/servlets/purl/1651662. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1651662,
title = {Materials Data on TmMn6GaGe5 by Materials Project},
author = {The Materials Project},
abstractNote = {TmMn6Ge5Ga1 crystallizes in the hexagonal P6mm space group. The structure is three-dimensional. 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 2.81 Å. There are one shorter (2.80 Å) and six longer (2.99 Å) Tm–Ge bond lengths. There are two inequivalent Mn sites. In the first 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 second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ga and four Ge atoms. Both Mn–Ga bond lengths are 2.72 Å. There are two shorter (2.51 Å) and two longer (2.52 Å) Mn–Ge bond lengths. Ga is bonded in a 8-coordinate geometry to one Tm, six equivalent Mn, and one Ge atom. The Ga–Ge bond length is 2.51 Å. There are three 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 6-coordinate geometry to six Mn atoms. In the third 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.},
doi = {10.17188/1651662},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}