Materials Data on Na2SnO3 by Materials Project
Na2SnO3 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four 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 NaO6 octahedra, corners with four SnO6 octahedra, edges with four SnO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 10–15°. There are a spread of Na–O bond distances ranging from 2.31–2.59 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four SnO6 octahedra, edges with four SnO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 11–13°. There are a spread of Na–O bond distances ranging from 2.36–2.58 Å. In the third Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four SnO6 octahedra, edges with four SnO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 11–13°. There are a spread of Na–O bond distances ranging from 2.34–2.60 Å. In the fourth Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six NaO6 octahedra, edges with six NaO6 octahedra, and edges with six SnO6 octahedra. The corner-sharing octahedra tilt angles range from 13–15°. There are a spread of Na–O bond distances ranging from 2.36–2.41 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent SnO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 10–12°. There are four shorter (2.13 Å) and two longer (2.14 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent SnO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 11–12°. There are a spread of Sn–O bond distances ranging from 2.12–2.15 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and two Sn4+ atoms to form a mixture of edge and corner-sharing ONa4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 1–12°. In the second O2- site, O2- is bonded to four Na1+ and two Sn4+ atoms to form a mixture of edge and corner-sharing ONa4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 1–11°. In the third O2- site, O2- is bonded to four Na1+ and two Sn4+ atoms to form a mixture of edge and corner-sharing ONa4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 1–10°. In the fourth O2- site, O2- is bonded to four Na1+ and two Sn4+ atoms to form a mixture of edge and corner-sharing ONa4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. In the fifth O2- site, O2- is bonded to four Na1+ and two Sn4+ atoms to form a mixture of edge and corner-sharing ONa4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. In the sixth O2- site, O2- is bonded to four Na1+ and two Sn4+ atoms to form a mixture of edge and corner-sharing ONa4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 1–10°.
- 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:
- 1289539
- Report Number(s):
- mp-754745
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on Na2SnO3 by Materials Project
Materials Data on Na2SnO3 by Materials Project