skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on AcScO3 by Materials Project

Abstract

AcScO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent O2- atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent ScO6 octahedra. All Ac–O bond lengths are 2.92 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.06 Å. O2- is bonded in a distorted linear geometry to four equivalent Ac3+ and two equivalent Sc3+ atoms.

Publication Date:
Other Number(s):
mp-1183152
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; AcScO3; Ac-O-Sc
OSTI Identifier:
1710602
DOI:
https://doi.org/10.17188/1710602

Citation Formats

The Materials Project. Materials Data on AcScO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710602.
The Materials Project. Materials Data on AcScO3 by Materials Project. United States. doi:https://doi.org/10.17188/1710602
The Materials Project. 2020. "Materials Data on AcScO3 by Materials Project". United States. doi:https://doi.org/10.17188/1710602. https://www.osti.gov/servlets/purl/1710602. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1710602,
title = {Materials Data on AcScO3 by Materials Project},
author = {The Materials Project},
abstractNote = {AcScO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent O2- atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent ScO6 octahedra. All Ac–O bond lengths are 2.92 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.06 Å. O2- is bonded in a distorted linear geometry to four equivalent Ac3+ and two equivalent Sc3+ atoms.},
doi = {10.17188/1710602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}