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Title: Materials Data on K2O2 by Materials Project

Abstract

K2O2 is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six O atoms. There are four shorter (2.65 Å) and two longer (2.77 Å) K–O bond lengths. In the second K site, K is bonded in a 6-coordinate geometry to six O atoms. There are two shorter (2.74 Å) and four longer (2.89 Å) K–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 7-coordinate geometry to six K and one O atom. The O–O bond length is 1.53 Å. In the second O site, O is bonded to six K and one O atom to form a mixture of distorted face, edge, and corner-sharing OK6O pentagonal bipyramids. The O–O bond length is 1.54 Å.

Publication Date:
Other Number(s):
mp-998917
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; K2O2; K-O
OSTI Identifier:
1317425
DOI:
10.17188/1317425

Citation Formats

The Materials Project. Materials Data on K2O2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317425.
The Materials Project. Materials Data on K2O2 by Materials Project. United States. doi:10.17188/1317425.
The Materials Project. 2020. "Materials Data on K2O2 by Materials Project". United States. doi:10.17188/1317425. https://www.osti.gov/servlets/purl/1317425. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1317425,
title = {Materials Data on K2O2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2O2 is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six O atoms. There are four shorter (2.65 Å) and two longer (2.77 Å) K–O bond lengths. In the second K site, K is bonded in a 6-coordinate geometry to six O atoms. There are two shorter (2.74 Å) and four longer (2.89 Å) K–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 7-coordinate geometry to six K and one O atom. The O–O bond length is 1.53 Å. In the second O site, O is bonded to six K and one O atom to form a mixture of distorted face, edge, and corner-sharing OK6O pentagonal bipyramids. The O–O bond length is 1.54 Å.},
doi = {10.17188/1317425},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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