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Title: Materials Data on KScO3 by Materials Project

Abstract

KScO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent ScO6 octahedra. All K–O bond lengths are 2.98 Å. Sc is bonded to six equivalent O atoms to form ScO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.11 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Sc atoms.

Authors:
Publication Date:
Other Number(s):
mp-973960
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; KScO3; K-O-Sc
OSTI Identifier:
1314373
DOI:
https://doi.org/10.17188/1314373

Citation Formats

The Materials Project. Materials Data on KScO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314373.
The Materials Project. Materials Data on KScO3 by Materials Project. United States. doi:https://doi.org/10.17188/1314373
The Materials Project. 2020. "Materials Data on KScO3 by Materials Project". United States. doi:https://doi.org/10.17188/1314373. https://www.osti.gov/servlets/purl/1314373. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1314373,
title = {Materials Data on KScO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KScO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent ScO6 octahedra. All K–O bond lengths are 2.98 Å. Sc is bonded to six equivalent O atoms to form ScO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.11 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Sc atoms.},
doi = {10.17188/1314373},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}