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Title: Materials Data on KCaO3 by Materials Project

Abstract

KCaO3 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 CaO6 octahedra. All K–O bond lengths are 3.23 Å. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.28 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Ca atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1316462
Report Number(s):
mp-982885
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; KCaO3; Ca-K-O

Citation Formats

The Materials Project. Materials Data on KCaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316462.
The Materials Project. Materials Data on KCaO3 by Materials Project. United States. https://doi.org/10.17188/1316462
The Materials Project. 2020. "Materials Data on KCaO3 by Materials Project". United States. https://doi.org/10.17188/1316462. https://www.osti.gov/servlets/purl/1316462.
@article{osti_1316462,
title = {Materials Data on KCaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KCaO3 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 CaO6 octahedra. All K–O bond lengths are 3.23 Å. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.28 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Ca atoms.},
doi = {10.17188/1316462},
url = {https://www.osti.gov/biblio/1316462}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}