skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NaSb(OF2)2 by Materials Project

Abstract

NaSb(OF2)2 is Upper Bainite-derived structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Na is bonded to two O and four F atoms to form NaO2F4 octahedra that share corners with six equivalent SbO2F4 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There are one shorter (2.59 Å) and one longer (2.66 Å) Na–O bond lengths. There are a spread of Na–F bond distances ranging from 2.31–2.37 Å. Sb is bonded to two O and four F atoms to form SbO2F4 octahedra that share corners with six equivalent NaO2F4 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There is one shorter (1.97 Å) and one longer (1.98 Å) Sb–O bond length. There are a spread of Sb–F bond distances ranging from 1.93–1.96 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Na and one Sb atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Na and one Sb atom. There are four inequivalent F sites. In the first F site, F is bonded in a distorted bent 120 degrees geometry to onemore » Na and one Sb atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Na and one Sb atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Na and one Sb atom. In the fourth F site, F is bonded in a distorted bent 120 degrees geometry to one Na and one Sb atom.« less

Publication Date:
Other Number(s):
mp-1220957
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaSb(OF2)2; F-Na-O-Sb
OSTI Identifier:
1742147
DOI:
https://doi.org/10.17188/1742147

Citation Formats

The Materials Project. Materials Data on NaSb(OF2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1742147.
The Materials Project. Materials Data on NaSb(OF2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1742147
The Materials Project. 2020. "Materials Data on NaSb(OF2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1742147. https://www.osti.gov/servlets/purl/1742147. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1742147,
title = {Materials Data on NaSb(OF2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaSb(OF2)2 is Upper Bainite-derived structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Na is bonded to two O and four F atoms to form NaO2F4 octahedra that share corners with six equivalent SbO2F4 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There are one shorter (2.59 Å) and one longer (2.66 Å) Na–O bond lengths. There are a spread of Na–F bond distances ranging from 2.31–2.37 Å. Sb is bonded to two O and four F atoms to form SbO2F4 octahedra that share corners with six equivalent NaO2F4 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There is one shorter (1.97 Å) and one longer (1.98 Å) Sb–O bond length. There are a spread of Sb–F bond distances ranging from 1.93–1.96 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Na and one Sb atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Na and one Sb atom. There are four inequivalent F sites. In the first F site, F is bonded in a distorted bent 120 degrees geometry to one Na and one Sb atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Na and one Sb atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Na and one Sb atom. In the fourth F site, F is bonded in a distorted bent 120 degrees geometry to one Na and one Sb atom.},
doi = {10.17188/1742147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}