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Title: Materials Data on PaAgO3 by Materials Project

Abstract

PaAgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent AgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.17 Å. Ag1+ is bonded to twelve equivalent O2- atoms to form AgO12 cuboctahedra that share corners with twelve equivalent AgO12 cuboctahedra, faces with six equivalent AgO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Ag–O bond lengths are 3.07 Å. O2- is bonded in a distorted linear geometry to two equivalent Pa5+ and four equivalent Ag1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-977455
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; PaAgO3; Ag-O-Pa
OSTI Identifier:
1315752
DOI:
https://doi.org/10.17188/1315752

Citation Formats

The Materials Project. Materials Data on PaAgO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315752.
The Materials Project. Materials Data on PaAgO3 by Materials Project. United States. doi:https://doi.org/10.17188/1315752
The Materials Project. 2020. "Materials Data on PaAgO3 by Materials Project". United States. doi:https://doi.org/10.17188/1315752. https://www.osti.gov/servlets/purl/1315752. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1315752,
title = {Materials Data on PaAgO3 by Materials Project},
author = {The Materials Project},
abstractNote = {PaAgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent AgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.17 Å. Ag1+ is bonded to twelve equivalent O2- atoms to form AgO12 cuboctahedra that share corners with twelve equivalent AgO12 cuboctahedra, faces with six equivalent AgO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Ag–O bond lengths are 3.07 Å. O2- is bonded in a distorted linear geometry to two equivalent Pa5+ and four equivalent Ag1+ atoms.},
doi = {10.17188/1315752},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}