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Title: Materials Data on CaO10 by Materials Project

Abstract

CaO10 crystallizes in the tetragonal P4/mcc space group. The structure is two-dimensional and consists of two molecular oxygen molecules and two CaO8 sheets oriented in the (0, 0, 1) direction. In each CaO8 sheet, Ca is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Ca–O bond lengths are 2.47 Å. O is bonded in a distorted bent 120 degrees geometry to one Ca and one O atom. The O–O bond length is 1.28 Å.

Publication Date:
Other Number(s):
mp-1182183
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; CaO10; Ca-O
OSTI Identifier:
1743711
DOI:
https://doi.org/10.17188/1743711

Citation Formats

The Materials Project. Materials Data on CaO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743711.
The Materials Project. Materials Data on CaO10 by Materials Project. United States. doi:https://doi.org/10.17188/1743711
The Materials Project. 2020. "Materials Data on CaO10 by Materials Project". United States. doi:https://doi.org/10.17188/1743711. https://www.osti.gov/servlets/purl/1743711. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1743711,
title = {Materials Data on CaO10 by Materials Project},
author = {The Materials Project},
abstractNote = {CaO10 crystallizes in the tetragonal P4/mcc space group. The structure is two-dimensional and consists of two molecular oxygen molecules and two CaO8 sheets oriented in the (0, 0, 1) direction. In each CaO8 sheet, Ca is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Ca–O bond lengths are 2.47 Å. O is bonded in a distorted bent 120 degrees geometry to one Ca and one O atom. The O–O bond length is 1.28 Å.},
doi = {10.17188/1743711},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}