Materials Data on Na2Sb4O11 by Materials Project
Na2Sb4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–2.66 Å. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to seven O2- atoms to form distorted SbO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, corners with two SbO7 pentagonal bipyramids, and edges with four SbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 51°. There are a spread of Sb–O bond distances ranging from 1.99–2.42 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. All Sb–O bond lengths are 2.03 Å. In the third Sb5+ site, Sb5+ is bonded to seven O2- atoms to form distorted SbO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, corners with two equivalent SbO7 pentagonal bipyramids, and edges with four equivalent SbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 51°. There are a spread of Sb–O bond distances ranging from 1.99–2.43 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Sb5+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and two Sb5+ atoms to form a mixture of distorted edge and corner-sharing ONa2Sb2 tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+ and three Sb5+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Na1+ and two Sb5+ atoms to form a mixture of distorted edge and corner-sharing ONa2Sb2 tetrahedra. In the sixth O2- site, O2- is bonded to two equivalent Na1+ and two Sb5+ atoms to form a mixture of distorted edge and corner-sharing ONa2Sb2 tetrahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1307162
- Report Number(s):
- mp-780683
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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