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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaSbO3 by Materials Project

NaSbO3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.56 Å. Sb5+ is bonded to six equivalent O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sb–O bond lengths are 2.01 Å. O2- is bonded to two equivalent Na1+ and two equivalent Sb5+ atoms to form a mixture of distorted edge and corner-sharing ONa2Sb2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaSbO3 by Materials Project

NaSbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.74 Å. Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are four shorter (2.01 Å) and two longer (2.02 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sb5+ atoms to form distorted corner-sharing ONa2Sb2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaSbO3 by Materials Project

NaSbO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with nine equivalent SbO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are three shorter (2.35 Å) and three longer (2.61 Å) Na–O bond lengths. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with nine equivalent NaO6 octahedra, edges with three equivalent SbO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are three shorter (2.01 Å) and three longer (2.04 Å) Sb–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaSbO3 by Materials Project

NaSbO3 is Ilmenite-like structured and crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with six equivalent SbO6 octahedra, edges with three equivalent SbO6 octahedra, and faces with two equivalent NaO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 41–62°. There are two shorter (2.20 Å) and four longer (2.49 Å) Na–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with six equivalent NaO6 pentagonal pyramids, edges with two equivalent SbO6 octahedra, and edges with three equivalent NaO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Sb–O bond distances ranging from 2.00–2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sb5+ atoms to form a mixture of distorted edge and corner-sharing ONa2Sb2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
NASA NTRS1976

New solid conductors of Na/+/ and K/+/ ions

About 40 structure types for solid conductors of Na(+) and K(+) ions are surveyed. Five compounds in three structure types are discovered to be good solid conductors of alkali metal ions, capable of ion transport with conductivities in the vicinity of 0.00001/ohm-cm at 25 C. These compounds are a bcc form of NaSbO3, an orthorhombic layer structure of the composition 2M2O.3Nb2O5 with M equal to Na or K, and the Na pyrochlores NaTa2O5F and NaTaWO6. Ion exchange is required to produce each of these Na compounds. Only the 2K2O.3Nb2O5 can so far be synthesized directly from the oxides and thus is the only one which can be sintered readily. The niobate is about as good a conductor of K(+) ion as is K-beta alumina. The NaSbO3 compares well with Na beta at 280 C. A number of phase diagrams are developed.

Singer, J.↗
NASA NTRS1975

Search for solid conductors of Na(+) and K(+) ions: Five new conductors

Five conductors of three structure types were discovered which, as solids, can transport Na(+) or K(+) ions with conductivities of approximately .00001/(omega cm) at 300 K. These compounds are: (1) the pyrochlores NaTaWO6 and NaTa2O5F, both with an activation energy for conduction delta E of 21 kJ/mole; (2) the bodycentered cubic form of NaSbO3, with delta E = 42 kJ/mole; and (3) the niobates 2Na2O with 3Nb2O5 and 2K2O with 3Nb2O5, with the alkali ions probably in open layers of the incompletely determined structure; delta E = 17 kJ/mole. On the basis of approximately 40 structure types, some generalizations were made regarding the relation between structure and ionic transport.

Singer, J.↗
NASA NTRS1975

Alkali oxide-tantalum, niobium and antimony oxide ionic conductors

The phase equilibrium relations of four systems were investigated in detail. These consisted of sodium and potassium antimonates with antimony oxide and tantalum and niobium oxide with rubidium oxide as far as the ratio 4Rb2O:llB2O5 (B=Nb, Ta). The ternary system NaSbO3-Sb2O4-NaF was investigated extensively to determine the actual composition of the body centered cubic sodium antimonate. Various other binary and ternary oxide systems involving alkali oxides were examined in lesser detail. The phases synthesized were screened by ion exchange methods to determine mobility of the mobility of the alkali ion within the niobium, tantalum or antimony oxide (fluoride) structural framework. Five structure types warranted further investigation; these structure types are (1) hexagonal tungsten bronze (HTB), (2) pyrochlore, (3) the hybrid HTB-pyrochlore hexagonal ordered phases, (4) body centered cubic antimonates and (5) 2K2O:3Nb2O5. Although all of these phases exhibit good ion exchange properties only the pyrochlore was prepared with Na(+) ions as an equilibrium phase and as a low porosity ceramic. Sb(+3) in the channel interferes with ionic conductivity in this case, although relatively good ionic conductivity was found for the metastable Na(+) ion exchanged analogs of RbTa2O5F and KTaWO6 pyrochlore phases.

Roth, R. S.↗
NASA NTRS1975

Search for solid conductors of Na/+/ and K/+/ ions - Five new conductors

Five new conductors of positive Na and K ions, for use as separators in high energy secondary batteries, have been discovered. They include: (1) the pyrochlores NaTaWO6 and NaTa2O5F; (2) the bcc form of NaSbO3; and (3) the niobates 2Na2O-3Nb2O5 and 2K2O-3Nb2O5, with the alkali ions probably in open layers of the completely determined structure. On the basis of approximately 40 structure types, generalizations have been made regarding the relation between structure and ionic transport.

Singer, J.↗