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Title: Materials Data on NaSr4(SbO4)3 by Materials Project

Abstract

Sr4NaSb3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. There are a spread of Na–O bond distances ranging from 2.27–2.29 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.93 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.92 Å. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent NaO6 octahedra and corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 23–26°. There are a spread of Sb–O bond distances ranging from 1.92–2.11 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent NaO6 octahedra and corners withmore » four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 23–25°. There are two shorter (1.92 Å) and four longer (2.11 Å) Sb–O bond lengths. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent NaO6 octahedra and corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. There are a spread of Sb–O bond distances ranging from 1.92–2.11 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, three Sr2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, three Sr2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Sb5+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Sr2+, and one Sb5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-17433
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaSr4(SbO4)3; Na-O-Sb-Sr
OSTI Identifier:
1192503
DOI:
https://doi.org/10.17188/1192503

Citation Formats

The Materials Project. Materials Data on NaSr4(SbO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192503.
The Materials Project. Materials Data on NaSr4(SbO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1192503
The Materials Project. 2020. "Materials Data on NaSr4(SbO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1192503. https://www.osti.gov/servlets/purl/1192503. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1192503,
title = {Materials Data on NaSr4(SbO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4NaSb3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. There are a spread of Na–O bond distances ranging from 2.27–2.29 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.93 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.92 Å. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent NaO6 octahedra and corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 23–26°. There are a spread of Sb–O bond distances ranging from 1.92–2.11 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent NaO6 octahedra and corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 23–25°. There are two shorter (1.92 Å) and four longer (2.11 Å) Sb–O bond lengths. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent NaO6 octahedra and corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. There are a spread of Sb–O bond distances ranging from 1.92–2.11 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, three Sr2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, three Sr2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Sb5+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Sr2+, and one Sb5+ atom.},
doi = {10.17188/1192503},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}