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

Title: Materials Data on NaSb2H2OF7 by Materials Project

Abstract

NaSb2H2OF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Na–O bond length is 2.40 Å. There are a spread of Na–F bond distances ranging from 2.28–2.45 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.96–2.30 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The Sb–O bond length is 2.68 Å. There are a spread of Sb–F bond distances ranging from 1.98–2.30 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to one Na1+, one Sb3+, and two H1+ atoms. There are seven inequivalent F1- sites. In the first F1- site, F1- is bondedmore » in a distorted trigonal planar geometry to two equivalent Na1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a trigonal planar geometry to one Na1+ and two Sb3+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1201921
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; NaSb2H2OF7; F-H-Na-O-Sb
OSTI Identifier:
1711194
DOI:
https://doi.org/10.17188/1711194

Citation Formats

The Materials Project. Materials Data on NaSb2H2OF7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1711194.
The Materials Project. Materials Data on NaSb2H2OF7 by Materials Project. United States. doi:https://doi.org/10.17188/1711194
The Materials Project. 2019. "Materials Data on NaSb2H2OF7 by Materials Project". United States. doi:https://doi.org/10.17188/1711194. https://www.osti.gov/servlets/purl/1711194. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1711194,
title = {Materials Data on NaSb2H2OF7 by Materials Project},
author = {The Materials Project},
abstractNote = {NaSb2H2OF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Na–O bond length is 2.40 Å. There are a spread of Na–F bond distances ranging from 2.28–2.45 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.96–2.30 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The Sb–O bond length is 2.68 Å. There are a spread of Sb–F bond distances ranging from 1.98–2.30 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to one Na1+, one Sb3+, and two H1+ atoms. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a trigonal planar geometry to one Na1+ and two Sb3+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1711194},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}