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Title: Materials Data on NaSbO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1208183· OSTI ID:1208183

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.

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:
1208183
Report Number(s):
mp-4482
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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