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Title: Materials Data on PaSiO3 by Materials Project

Abstract

PaSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent O atoms to form PaO12 cuboctahedra that share corners with twelve equivalent PaO12 cuboctahedra, faces with six equivalent PaO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Pa–O bond lengths are 2.70 Å. Si is bonded to six equivalent O atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.91 Å. O is bonded in a distorted linear geometry to four equivalent Pa and two equivalent Si atoms.

Authors:
Publication Date:
Other Number(s):
mp-1186401
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; PaSiO3; O-Pa-Si
OSTI Identifier:
1749061
DOI:
https://doi.org/10.17188/1749061

Citation Formats

The Materials Project. Materials Data on PaSiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749061.
The Materials Project. Materials Data on PaSiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1749061
The Materials Project. 2020. "Materials Data on PaSiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1749061. https://www.osti.gov/servlets/purl/1749061. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749061,
title = {Materials Data on PaSiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {PaSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent O atoms to form PaO12 cuboctahedra that share corners with twelve equivalent PaO12 cuboctahedra, faces with six equivalent PaO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Pa–O bond lengths are 2.70 Å. Si is bonded to six equivalent O atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.91 Å. O is bonded in a distorted linear geometry to four equivalent Pa and two equivalent Si atoms.},
doi = {10.17188/1749061},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}