Materials Data on NaO2 by Materials Project

doi:10.17188/1749414

Title: Materials Data on NaO2 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

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

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                    The Materials Project. Materials Data on NaO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749414.

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                    The Materials Project. Materials Data on NaO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749414

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1749414

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