U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-1216795
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ga-Ge-Mn-Tm; TmMn6GaGe5; crystal structure
- OSTI Identifier:
- 1651662
- DOI:
- https://doi.org/10.17188/1651662
Citation Formats
Materials Data on TmMn6GaGe5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1651662.
Materials Data on TmMn6GaGe5 by Materials Project. United States. doi:https://doi.org/10.17188/1651662
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:Fri Jan 11 23:00:00 EST 2019
@article{osti_1651662,
title = {Materials Data on TmMn6GaGe5 by 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}
}