U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LuMnGe2 by Materials Project
Abstract
LuMnGe2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.85–3.00 Å. In the second Lu site, Lu is bonded to seven Ge atoms to form a mixture of distorted corner and edge-sharing LuGe7 pentagonal bipyramids. There are a spread of Lu–Ge bond distances ranging from 2.83–2.93 Å. 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 2.57–2.59 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 2.46–2.65 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to six Lu, two equivalent Mn, and two equivalent Ge atoms. There are one shorter (2.66 Å) and one longer (2.74 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry tomore »
- Publication Date:
- Other Number(s):
- mp-28516
- 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; Ge-Lu-Mn; LuMnGe2; crystal structure
- OSTI Identifier:
- 1202608
- DOI:
- https://doi.org/10.17188/1202608
Citation Formats
Materials Data on LuMnGe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202608.
Materials Data on LuMnGe2 by Materials Project. United States. doi:https://doi.org/10.17188/1202608
2020.
"Materials Data on LuMnGe2 by Materials Project". United States. doi:https://doi.org/10.17188/1202608. https://www.osti.gov/servlets/purl/1202608. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1202608,
title = {Materials Data on LuMnGe2 by Materials Project},
abstractNote = {LuMnGe2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.85–3.00 Å. In the second Lu site, Lu is bonded to seven Ge atoms to form a mixture of distorted corner and edge-sharing LuGe7 pentagonal bipyramids. There are a spread of Lu–Ge bond distances ranging from 2.83–2.93 Å. 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 2.57–2.59 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 2.46–2.65 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to six Lu, two equivalent Mn, and two equivalent Ge atoms. There are one shorter (2.66 Å) and one longer (2.74 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Lu and four equivalent Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Lu and four equivalent Mn atoms. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to three Lu, three Mn, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the fifth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Lu and two equivalent Mn atoms.},
doi = {10.17188/1202608},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}