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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaO8 by Materials Project

NaO8 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaO8 sheets oriented in the (0, 1, 0) direction. Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.41–2.71 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a water-like geometry to one Na and one O atom. In the third O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.33 Å) and one longer (1.35 Å) O–O bond length. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one O atom. In the fifth O site, O is bonded in a water-like geometry to one Na and one O atom. The O–O bond length is 1.34 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.29 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. In the eighth O site, O is bonded in a water-like geometry to one Na and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2O2 by Materials Project

Na2O2 is Tungsten Carbide-like structured and crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Na is bonded to six equivalent O atoms to form a mixture of distorted edge, corner, and face-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 31–52°. There are a spread of Na–O bond distances ranging from 2.40–2.43 Å. O is bonded to six equivalent Na atoms to form a mixture of distorted edge and corner-sharing ONa6 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaO2 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2O9 by Materials Project

Na2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 8-coordinate geometry to nine O atoms. There are a spread of Na–O bond distances ranging from 2.34–2.91 Å. In the second Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.39–2.89 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two Na and one O atom. The O–O bond length is 1.31 Å. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.25 Å. In the third O site, O is bonded in a 4-coordinate geometry to three Na and one O atom. The O–O bond length is 1.30 Å. In the fourth O site, O is bonded in a 2-coordinate geometry to two Na and two O atoms. There is one shorter (1.28 Å) and one longer (1.99 Å) O–O bond length. In the fifth O site, O is bonded in a 1-coordinate geometry to two Na and two O atoms. In the sixth O site, O is bonded in a 3-coordinate geometry to two Na and one O atom. In the seventh O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one O atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.29 Å. In the ninth O site, O is bonded in a 3-coordinate geometry to two Na and one O atom.

36 MATERIALS SCIENCE↗