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Title: Materials Data on CaMnO2 by Materials Project

Abstract

CaMnO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with six equivalent CaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ca–O bond lengths are 2.37 Å. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent CaO6 octahedra, edges with six equivalent CaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Mn–O bond lengths are 2.30 Å. O2- is bonded to three equivalent Ca2+ and three equivalent Mn2+ atoms to form a mixture of edge and corner-sharing OCa3Mn3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1003402
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; CaMnO2; Ca-Mn-O
OSTI Identifier:
1282293
DOI:
10.17188/1282293

Citation Formats

Persson, Kristin. Materials Data on CaMnO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282293.
Persson, Kristin. Materials Data on CaMnO2 by Materials Project. United States. doi:10.17188/1282293.
Persson, Kristin. 2020. "Materials Data on CaMnO2 by Materials Project". United States. doi:10.17188/1282293. https://www.osti.gov/servlets/purl/1282293. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1282293,
title = {Materials Data on CaMnO2 by Materials Project},
author = {Persson, Kristin},
abstractNote = {CaMnO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with six equivalent CaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ca–O bond lengths are 2.37 Å. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent CaO6 octahedra, edges with six equivalent CaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Mn–O bond lengths are 2.30 Å. O2- is bonded to three equivalent Ca2+ and three equivalent Mn2+ atoms to form a mixture of edge and corner-sharing OCa3Mn3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1282293},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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