U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er3Ga8Ir3 by Materials Project
Abstract
Er3Ir3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve Ga atoms to form distorted face-sharing ErGa12 cuboctahedra. There are eight shorter (3.18 Å) and four longer (3.23 Å) Er–Ga bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (2.96 Å) and two longer (2.99 Å) Er–Ir bond lengths. There are four shorter (3.03 Å) and four longer (3.16 Å) Er–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Er and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.62 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to two equivalent Er and six Ga atoms. There are two shorter (2.56 Å) and four longer (2.60 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Er, three Ir, and three equivalent Ga atoms. There are two shorter (2.67 Å) andmore »
- Publication Date:
- Other Number(s):
- mp-1104360
- 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; Er-Ga-Ir; Er3Ga8Ir3; crystal structure
- OSTI Identifier:
- 1700784
- DOI:
- https://doi.org/10.17188/1700784
Citation Formats
Materials Data on Er3Ga8Ir3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1700784.
Materials Data on Er3Ga8Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1700784
2020.
"Materials Data on Er3Ga8Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1700784. https://www.osti.gov/servlets/purl/1700784. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1700784,
title = {Materials Data on Er3Ga8Ir3 by Materials Project},
abstractNote = {Er3Ir3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve Ga atoms to form distorted face-sharing ErGa12 cuboctahedra. There are eight shorter (3.18 Å) and four longer (3.23 Å) Er–Ga bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (2.96 Å) and two longer (2.99 Å) Er–Ir bond lengths. There are four shorter (3.03 Å) and four longer (3.16 Å) Er–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Er and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.62 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to two equivalent Er and six Ga atoms. There are two shorter (2.56 Å) and four longer (2.60 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Er, three Ir, and three equivalent Ga atoms. There are two shorter (2.67 Å) and one longer (2.69 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Ir, and four Ga atoms. The Ga–Ga bond length is 2.54 Å.},
doi = {10.17188/1700784},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}