Materials Data on Na3(WO3)4 by Materials Project
Na3(WO3)4 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with eight equivalent NaO12 cuboctahedra, faces with four equivalent NaO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. There are four shorter (2.75 Å) and eight longer (2.78 Å) Na–O bond lengths. W+5.25+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with six equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. All W–O bond lengths are 1.97 Å. O2- is bonded to three equivalent Na1+ and two equivalent W+5.25+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa3W2 square pyramids.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1206922
- Report Number(s):
- mp-35005
- Country of Publication:
- United States
- Language:
- English
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