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Title: Materials Data on As2Ru by Materials Project

Abstract

RuAs2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ru6+ is bonded to six equivalent As3- atoms to form RuAs6 octahedra that share corners with eight equivalent RuAs6 octahedra, corners with six equivalent AsAsRu3 tetrahedra, and edges with two equivalent RuAs6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are two shorter (2.47 Å) and four longer (2.50 Å) Ru–As bond lengths. As3- is bonded to three equivalent Ru6+ and one As3- atom to form distorted AsAsRu3 tetrahedra that share corners with three equivalent RuAs6 octahedra, corners with thirteen equivalent AsAsRu3 tetrahedra, and an edgeedge with one AsAsRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 70–72°. The As–As bond length is 2.52 Å.

Publication Date:
Other Number(s):
mp-766
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; As2Ru; As-Ru
OSTI Identifier:
1296484
DOI:
10.17188/1296484

Citation Formats

The Materials Project. Materials Data on As2Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1296484.
The Materials Project. Materials Data on As2Ru by Materials Project. United States. doi:10.17188/1296484.
The Materials Project. 2020. "Materials Data on As2Ru by Materials Project". United States. doi:10.17188/1296484. https://www.osti.gov/servlets/purl/1296484. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1296484,
title = {Materials Data on As2Ru by Materials Project},
author = {The Materials Project},
abstractNote = {RuAs2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ru6+ is bonded to six equivalent As3- atoms to form RuAs6 octahedra that share corners with eight equivalent RuAs6 octahedra, corners with six equivalent AsAsRu3 tetrahedra, and edges with two equivalent RuAs6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are two shorter (2.47 Å) and four longer (2.50 Å) Ru–As bond lengths. As3- is bonded to three equivalent Ru6+ and one As3- atom to form distorted AsAsRu3 tetrahedra that share corners with three equivalent RuAs6 octahedra, corners with thirteen equivalent AsAsRu3 tetrahedra, and an edgeedge with one AsAsRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 70–72°. The As–As bond length is 2.52 Å.},
doi = {10.17188/1296484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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