U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaFe(Ni2Ge)4 by Materials Project
Abstract
LaFe(Ni2Ge)4 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to two equivalent Fe, fourteen Ni, and eight Ge atoms. Both La–Fe bond lengths are 3.26 Å. There are a spread of La–Ni bond distances ranging from 3.22–3.43 Å. There are a spread of La–Ge bond distances ranging from 3.27–3.32 Å. Fe is bonded in a 4-coordinate geometry to two equivalent La, one Fe, five Ni, and four Ge atoms. The Fe–Fe bond length is 2.73 Å. There are one shorter (2.52 Å) and four longer (2.56 Å) Fe–Ni bond lengths. There are a spread of Fe–Ge bond distances ranging from 2.37–2.46 Å. There are seven inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent La, six Ni, and four Ge atoms to form a mixture of distorted corner and face-sharing NiLa2Ni6Ge4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.41–2.56 Å. There are a spread of Ni–Ge bond distances ranging from 2.52–2.60 Å. In the second Ni site, Ni is bonded to two equivalent La, one Fe, five Ni, and four Ge atoms to form a mixture of distorted corner and face-sharingmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1224721
- 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; LaFe(Ni2Ge)4; Fe-Ge-La-Ni
- OSTI Identifier:
- 1742280
- DOI:
- https://doi.org/10.17188/1742280
Citation Formats
The Materials Project. Materials Data on LaFe(Ni2Ge)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1742280.
The Materials Project. Materials Data on LaFe(Ni2Ge)4 by Materials Project. United States. doi:https://doi.org/10.17188/1742280
The Materials Project. 2020.
"Materials Data on LaFe(Ni2Ge)4 by Materials Project". United States. doi:https://doi.org/10.17188/1742280. https://www.osti.gov/servlets/purl/1742280. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1742280,
title = {Materials Data on LaFe(Ni2Ge)4 by Materials Project},
author = {The Materials Project},
abstractNote = {LaFe(Ni2Ge)4 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to two equivalent Fe, fourteen Ni, and eight Ge atoms. Both La–Fe bond lengths are 3.26 Å. There are a spread of La–Ni bond distances ranging from 3.22–3.43 Å. There are a spread of La–Ge bond distances ranging from 3.27–3.32 Å. Fe is bonded in a 4-coordinate geometry to two equivalent La, one Fe, five Ni, and four Ge atoms. The Fe–Fe bond length is 2.73 Å. There are one shorter (2.52 Å) and four longer (2.56 Å) Fe–Ni bond lengths. There are a spread of Fe–Ge bond distances ranging from 2.37–2.46 Å. There are seven inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent La, six Ni, and four Ge atoms to form a mixture of distorted corner and face-sharing NiLa2Ni6Ge4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.41–2.56 Å. There are a spread of Ni–Ge bond distances ranging from 2.52–2.60 Å. In the second Ni site, Ni is bonded to two equivalent La, one Fe, five Ni, and four Ge atoms to form a mixture of distorted corner and face-sharing NiLa2FeNi5Ge4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.41–2.57 Å. There are a spread of Ni–Ge bond distances ranging from 2.50–2.58 Å. In the third Ni site, Ni is bonded to eight Ni and four Ge atoms to form distorted NiNi8Ge4 cuboctahedra that share corners with four equivalent NiLa2FeNi5Ge4 cuboctahedra and faces with eight NiLa2Ni6Ge4 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.55 Å) Ni–Ni bond lengths. There are two shorter (2.40 Å) and two longer (2.42 Å) Ni–Ge bond lengths. In the fourth Ni site, Ni is bonded to two equivalent Fe, six Ni, and four Ge atoms to form a mixture of distorted corner and face-sharing NiFe2Ni6Ge4 cuboctahedra. Both Ni–Ni bond lengths are 2.56 Å. There are two shorter (2.40 Å) and two longer (2.42 Å) Ni–Ge bond lengths. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent La, three Ni, and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.37–2.50 Å. In the sixth Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent La, three Ni, and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.36–2.49 Å. In the seventh Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent La, two equivalent Fe, four Ni, and four Ge atoms. The Ni–Ni bond length is 2.82 Å. There are a spread of Ni–Ge bond distances ranging from 2.37–2.47 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to two equivalent La, one Fe, and eight Ni atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to two equivalent La, two equivalent Fe, and seven Ni atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to two equivalent La, one Fe, and eight Ni atoms. In the fourth Ge site, Ge is bonded in a 12-coordinate geometry to two equivalent La and nine Ni atoms.},
doi = {10.17188/1742280},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}