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Title: Materials Data on Sm8Ga21Ru11 by Materials Project

Abstract

Sm8Ru11Ga21 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 11-coordinate geometry to three Ru and ten Ga atoms. There are two shorter (3.22 Å) and one longer (3.43 Å) Sm–Ru bond lengths. There are a spread of Sm–Ga bond distances ranging from 2.96–3.43 Å. In the second Sm site, Sm is bonded in a 11-coordinate geometry to four Ru and nine Ga atoms. There are a spread of Sm–Ru bond distances ranging from 3.21–3.44 Å. There are a spread of Sm–Ga bond distances ranging from 2.99–3.39 Å. There are five inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Sm, two equivalent Ru, and six Ga atoms. Both Ru–Ru bond lengths are 2.83 Å. There are four shorter (2.57 Å) and two longer (2.91 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a 6-coordinate geometry to two equivalent Sm and six Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.54–2.60 Å. In the third Ru site, Ru is bonded in a 12-coordinate geometrymore » to four equivalent Sm, two equivalent Ru, and six Ga atoms. There are four shorter (2.57 Å) and two longer (2.90 Å) Ru–Ga bond lengths. In the fourth Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Sm and eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.57–2.90 Å. In the fifth Ru site, Ru is bonded in a 6-coordinate geometry to two equivalent Sm and six Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.53–2.60 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Sm, two equivalent Ru, and six Ga atoms to form distorted corner-sharing GaSm4Ga6Ru2 cuboctahedra. There are four shorter (2.62 Å) and two longer (2.97 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four Sm, four Ru, and one Ga atom. The Ga–Ga bond length is 2.77 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four Sm, four Ru, and one Ga atom. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to four Sm, two equivalent Ru, and five Ga atoms. There are two shorter (2.81 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to four Sm, three Ru, and four Ga atoms. There are two shorter (2.75 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to four Sm, three Ru, and four Ga atoms. Both Ga–Ga bond lengths are 2.75 Å. In the seventh Ga site, Ga is bonded in a 11-coordinate geometry to four Sm, three Ru, and four Ga atoms. Both Ga–Ga bond lengths are 2.72 Å. In the eighth Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Sm, three Ru, and three Ga atoms. In the ninth Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Sm, four Ru, and two Ga atoms.« less

Publication Date:
Other Number(s):
mp-1219444
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sm8Ga21Ru11; Ga-Ru-Sm
OSTI Identifier:
1678636
DOI:
https://doi.org/10.17188/1678636

Citation Formats

The Materials Project. Materials Data on Sm8Ga21Ru11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678636.
The Materials Project. Materials Data on Sm8Ga21Ru11 by Materials Project. United States. doi:https://doi.org/10.17188/1678636
The Materials Project. 2020. "Materials Data on Sm8Ga21Ru11 by Materials Project". United States. doi:https://doi.org/10.17188/1678636. https://www.osti.gov/servlets/purl/1678636. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1678636,
title = {Materials Data on Sm8Ga21Ru11 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm8Ru11Ga21 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 11-coordinate geometry to three Ru and ten Ga atoms. There are two shorter (3.22 Å) and one longer (3.43 Å) Sm–Ru bond lengths. There are a spread of Sm–Ga bond distances ranging from 2.96–3.43 Å. In the second Sm site, Sm is bonded in a 11-coordinate geometry to four Ru and nine Ga atoms. There are a spread of Sm–Ru bond distances ranging from 3.21–3.44 Å. There are a spread of Sm–Ga bond distances ranging from 2.99–3.39 Å. There are five inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Sm, two equivalent Ru, and six Ga atoms. Both Ru–Ru bond lengths are 2.83 Å. There are four shorter (2.57 Å) and two longer (2.91 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a 6-coordinate geometry to two equivalent Sm and six Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.54–2.60 Å. In the third Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Sm, two equivalent Ru, and six Ga atoms. There are four shorter (2.57 Å) and two longer (2.90 Å) Ru–Ga bond lengths. In the fourth Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Sm and eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.57–2.90 Å. In the fifth Ru site, Ru is bonded in a 6-coordinate geometry to two equivalent Sm and six Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.53–2.60 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Sm, two equivalent Ru, and six Ga atoms to form distorted corner-sharing GaSm4Ga6Ru2 cuboctahedra. There are four shorter (2.62 Å) and two longer (2.97 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four Sm, four Ru, and one Ga atom. The Ga–Ga bond length is 2.77 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four Sm, four Ru, and one Ga atom. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to four Sm, two equivalent Ru, and five Ga atoms. There are two shorter (2.81 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to four Sm, three Ru, and four Ga atoms. There are two shorter (2.75 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to four Sm, three Ru, and four Ga atoms. Both Ga–Ga bond lengths are 2.75 Å. In the seventh Ga site, Ga is bonded in a 11-coordinate geometry to four Sm, three Ru, and four Ga atoms. Both Ga–Ga bond lengths are 2.72 Å. In the eighth Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Sm, three Ru, and three Ga atoms. In the ninth Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Sm, four Ru, and two Ga atoms.},
doi = {10.17188/1678636},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}