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Title: Materials Data on Tm3Ga8Rh3 by Materials Project

Abstract

Tm3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to twelve Ga atoms to form distorted face-sharing TmGa12 cuboctahedra. There are eight shorter (3.16 Å) and four longer (3.22 Å) Tm–Ga bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (2.96 Å) and two longer (2.97 Å) Tm–Rh bond lengths. There are four shorter (3.03 Å) and four longer (3.16 Å) Tm–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Tm and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Tm and six Ga atoms. There are two shorter (2.55 Å) and four longer (2.59 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Tm, three Rh, and three equivalent Ga atoms. There are two shorter (2.66more » Å) and one longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tm, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.53 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1104655
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; Tm3Ga8Rh3; Ga-Rh-Tm
OSTI Identifier:
1740962
DOI:
https://doi.org/10.17188/1740962

Citation Formats

The Materials Project. Materials Data on Tm3Ga8Rh3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740962.
The Materials Project. Materials Data on Tm3Ga8Rh3 by Materials Project. United States. doi:https://doi.org/10.17188/1740962
The Materials Project. 2020. "Materials Data on Tm3Ga8Rh3 by Materials Project". United States. doi:https://doi.org/10.17188/1740962. https://www.osti.gov/servlets/purl/1740962. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740962,
title = {Materials Data on Tm3Ga8Rh3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to twelve Ga atoms to form distorted face-sharing TmGa12 cuboctahedra. There are eight shorter (3.16 Å) and four longer (3.22 Å) Tm–Ga bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (2.96 Å) and two longer (2.97 Å) Tm–Rh bond lengths. There are four shorter (3.03 Å) and four longer (3.16 Å) Tm–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Tm and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Tm and six Ga atoms. There are two shorter (2.55 Å) and four longer (2.59 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Tm, three Rh, and three equivalent Ga atoms. There are two shorter (2.66 Å) and one longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tm, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.53 Å.},
doi = {10.17188/1740962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}