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Title: Materials Data on NaO2 by Materials Project

Abstract

NaO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Na sites. In the first Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the second Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.72 Å. In the third Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the fourth Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the fifth Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the sixth Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the seventh Na site, Na is bonded in a 9-coordinate geometry to ninemore » O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.74 Å. In the eighth Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.74 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.37 Å. In the second O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.37 Å. In the third O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.37 Å. In the fourth O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.36 Å. In the fifth O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.36 Å. In the sixth O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.36 Å. In the seventh O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.37 Å. In the eighth O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.36 Å. In the ninth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the tenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the eleventh O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the twelfth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the thirteenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the fourteenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the fifteenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the sixteenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1180165
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; NaO2; Na-O
OSTI Identifier:
1749414
DOI:
https://doi.org/10.17188/1749414

Citation Formats

The Materials Project. Materials Data on NaO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749414.
The Materials Project. Materials Data on NaO2 by Materials Project. United States. doi:https://doi.org/10.17188/1749414
The Materials Project. 2020. "Materials Data on NaO2 by Materials Project". United States. doi:https://doi.org/10.17188/1749414. https://www.osti.gov/servlets/purl/1749414. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1749414,
title = {Materials Data on NaO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Na sites. In the first Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the second Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.72 Å. In the third Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the fourth Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the fifth Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the sixth Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.73 Å. In the seventh Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.74 Å. In the eighth Na site, Na is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.74 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.37 Å. In the second O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.37 Å. In the third O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.37 Å. In the fourth O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.36 Å. In the fifth O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.36 Å. In the sixth O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.36 Å. In the seventh O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.37 Å. In the eighth O site, O is bonded in a 6-coordinate geometry to five Na and one O atom. The O–O bond length is 1.36 Å. In the ninth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the tenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the eleventh O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the twelfth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the thirteenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the fourteenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the fifteenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom. In the sixteenth O site, O is bonded in a 5-coordinate geometry to four Na and one O atom.},
doi = {10.17188/1749414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}