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Title: Materials Data on PuRu3C by Materials Project

Abstract

PuRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Ru atoms to form PuRu12 cuboctahedra that share corners with twelve equivalent PuRu12 cuboctahedra, faces with six equivalent PuRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Pu–Ru bond lengths are 2.95 Å. Ru is bonded to four equivalent Pu and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RuPu4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.08 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 PuRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-19828
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; PuRu3C; C-Pu-Ru
OSTI Identifier:
1195023
DOI:
https://doi.org/10.17188/1195023

Citation Formats

The Materials Project. Materials Data on PuRu3C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195023.
The Materials Project. Materials Data on PuRu3C by Materials Project. United States. doi:https://doi.org/10.17188/1195023
The Materials Project. 2020. "Materials Data on PuRu3C by Materials Project". United States. doi:https://doi.org/10.17188/1195023. https://www.osti.gov/servlets/purl/1195023. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195023,
title = {Materials Data on PuRu3C by Materials Project},
author = {The Materials Project},
abstractNote = {PuRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Ru atoms to form PuRu12 cuboctahedra that share corners with twelve equivalent PuRu12 cuboctahedra, faces with six equivalent PuRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Pu–Ru bond lengths are 2.95 Å. Ru is bonded to four equivalent Pu and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RuPu4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.08 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 PuRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1195023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}