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Title: Materials Data on ScRu3C by Materials Project

Abstract

ScRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Ru atoms to form ScRu12 cuboctahedra that share corners with twelve equivalent ScRu12 cuboctahedra, faces with six equivalent ScRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Sc–Ru bond lengths are 2.89 Å. Ru is bonded in a distorted linear geometry to four equivalent Sc and two equivalent C atoms. Both Ru–C bond lengths are 2.04 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent ScRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7130
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; ScRu3C; C-Ru-Sc
OSTI Identifier:
1286623
DOI:
10.17188/1286623

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ScRu3C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286623.
Persson, Kristin, & Project, Materials. Materials Data on ScRu3C by Materials Project. United States. doi:10.17188/1286623.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ScRu3C by Materials Project". United States. doi:10.17188/1286623. https://www.osti.gov/servlets/purl/1286623. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1286623,
title = {Materials Data on ScRu3C by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ScRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Ru atoms to form ScRu12 cuboctahedra that share corners with twelve equivalent ScRu12 cuboctahedra, faces with six equivalent ScRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Sc–Ru bond lengths are 2.89 Å. Ru is bonded in a distorted linear geometry to four equivalent Sc and two equivalent C atoms. Both Ru–C bond lengths are 2.04 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent ScRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1286623},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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