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Title: Materials Data on SbAsRu by Materials Project

Abstract

RuSbAs crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Ru6+ sites. In the first Ru6+ site, Ru6+ is bonded to four equivalent Sb3- and two equivalent As3- atoms to form RuSb4As2 octahedra that share corners with eight equivalent RuSb2As4 octahedra, corners with two equivalent AsAsRu3 tetrahedra, and edges with two equivalent RuSb4As2 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. All Ru–Sb bond lengths are 2.63 Å. Both Ru–As bond lengths are 2.55 Å. In the second Ru6+ site, Ru6+ is bonded to two equivalent Sb3- and four equivalent As3- atoms to form RuSb2As4 octahedra that share corners with eight equivalent RuSb4As2 octahedra, corners with four equivalent AsAsRu3 tetrahedra, and edges with two equivalent RuSb2As4 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. Both Ru–Sb bond lengths are 2.59 Å. All Ru–As bond lengths are 2.56 Å. Sb3- is bonded in a 4-coordinate geometry to three Ru6+ and three equivalent Sb3- atoms. There are one shorter (2.79 Å) and two longer (3.13 Å) Sb–Sb bond lengths. As3- is bonded to three Ru6+ and one As3- atom to form distorted AsAsRu3 tetrahedra that share corners with three RuSb4As2 octahedra, corners with fivemore » equivalent AsAsRu3 tetrahedra, and an edgeedge with one AsAsRu3 tetrahedra. The corner-sharing octahedral tilt angles are 71°. The As–As bond length is 2.77 Å.« less

Publication Date:
Other Number(s):
mp-1219464
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; SbAsRu; As-Ru-Sb
OSTI Identifier:
1663753
DOI:
https://doi.org/10.17188/1663753

Citation Formats

The Materials Project. Materials Data on SbAsRu by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1663753.
The Materials Project. Materials Data on SbAsRu by Materials Project. United States. doi:https://doi.org/10.17188/1663753
The Materials Project. 2019. "Materials Data on SbAsRu by Materials Project". United States. doi:https://doi.org/10.17188/1663753. https://www.osti.gov/servlets/purl/1663753. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1663753,
title = {Materials Data on SbAsRu by Materials Project},
author = {The Materials Project},
abstractNote = {RuSbAs crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Ru6+ sites. In the first Ru6+ site, Ru6+ is bonded to four equivalent Sb3- and two equivalent As3- atoms to form RuSb4As2 octahedra that share corners with eight equivalent RuSb2As4 octahedra, corners with two equivalent AsAsRu3 tetrahedra, and edges with two equivalent RuSb4As2 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. All Ru–Sb bond lengths are 2.63 Å. Both Ru–As bond lengths are 2.55 Å. In the second Ru6+ site, Ru6+ is bonded to two equivalent Sb3- and four equivalent As3- atoms to form RuSb2As4 octahedra that share corners with eight equivalent RuSb4As2 octahedra, corners with four equivalent AsAsRu3 tetrahedra, and edges with two equivalent RuSb2As4 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. Both Ru–Sb bond lengths are 2.59 Å. All Ru–As bond lengths are 2.56 Å. Sb3- is bonded in a 4-coordinate geometry to three Ru6+ and three equivalent Sb3- atoms. There are one shorter (2.79 Å) and two longer (3.13 Å) Sb–Sb bond lengths. As3- is bonded to three Ru6+ and one As3- atom to form distorted AsAsRu3 tetrahedra that share corners with three RuSb4As2 octahedra, corners with five equivalent AsAsRu3 tetrahedra, and an edgeedge with one AsAsRu3 tetrahedra. The corner-sharing octahedral tilt angles are 71°. The As–As bond length is 2.77 Å.},
doi = {10.17188/1663753},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}