Materials Data on Na3Mn2SbO6 by Materials Project
Na3Mn2SbO6 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent MnO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 5–13°. There are four shorter (2.39 Å) and two longer (2.58 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent MnO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six NaO6 octahedra. The corner-sharing octahedra tilt angles range from 5–14°. There are a spread of Na–O bond distances ranging from 2.40–2.52 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent MnO6 octahedra, edges with three equivalent SbO6 octahedra, and edges with six NaO6 octahedra. The corner-sharing octahedra tilt angles range from 13–14°. There are two shorter (2.24 Å) and four longer (2.25 Å) Mn–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six NaO6 octahedra, edges with six NaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two shorter (2.04 Å) and four longer (2.05 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+, two equivalent Mn2+, and one Sb5+ atom to form a mixture of edge and corner-sharing ONa3Mn2Sb octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the second O2- site, O2- is bonded to three Na1+, two equivalent Mn2+, and one Sb5+ atom to form a mixture of edge and corner-sharing ONa3Mn2Sb octahedra. The corner-sharing octahedra tilt angles range from 0–7°.
- 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:
- 1316738
- Report Number(s):
- mp-985626
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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