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Title: Materials Data on TaRu3C by Materials Project

Abstract

TaCRu3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Ru atoms to form TaRu12 cuboctahedra that share corners with twelve equivalent TaRu12 cuboctahedra, faces with six equivalent TaRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Ta–Ru bond lengths are 2.87 Å. Ru is bonded in a distorted linear geometry to four equivalent Ta and two equivalent C atoms. Both Ru–C bond lengths are 2.03 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 TaRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-22087
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; TaRu3C; C-Ru-Ta
OSTI Identifier:
1197342
DOI:
https://doi.org/10.17188/1197342

Citation Formats

The Materials Project. Materials Data on TaRu3C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197342.
The Materials Project. Materials Data on TaRu3C by Materials Project. United States. doi:https://doi.org/10.17188/1197342
The Materials Project. 2020. "Materials Data on TaRu3C by Materials Project". United States. doi:https://doi.org/10.17188/1197342. https://www.osti.gov/servlets/purl/1197342. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197342,
title = {Materials Data on TaRu3C by Materials Project},
author = {The Materials Project},
abstractNote = {TaCRu3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Ru atoms to form TaRu12 cuboctahedra that share corners with twelve equivalent TaRu12 cuboctahedra, faces with six equivalent TaRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Ta–Ru bond lengths are 2.87 Å. Ru is bonded in a distorted linear geometry to four equivalent Ta and two equivalent C atoms. Both Ru–C bond lengths are 2.03 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 TaRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1197342},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}