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Title: Materials Data on K2SbH5O6 by Materials Project

Abstract

K2SbH5O6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to one H1+ and five O2- atoms. The K–H bond length is 2.84 Å. There are a spread of K–O bond distances ranging from 2.71–2.92 Å. In the second K1+ site, K1+ is bonded in a 11-coordinate geometry to seven H1+ and seven O2- atoms. There are a spread of K–H bond distances ranging from 2.64–3.05 Å. There are a spread of K–O bond distances ranging from 2.71–3.02 Å. Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 1.94–2.07 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and 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 three equivalent K1+ and one O2- atom. The H–O bond length is 1.01 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom.more » The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one O2- atom. The H–O bond length is 1.01 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sb5+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+, one Sb5+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+, one Sb5+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Sb5+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Sb5+, and one H1+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1194509
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; K2SbH5O6; H-K-O-Sb
OSTI Identifier:
1689789
DOI:
https://doi.org/10.17188/1689789

Citation Formats

The Materials Project. Materials Data on K2SbH5O6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1689789.
The Materials Project. Materials Data on K2SbH5O6 by Materials Project. United States. doi:https://doi.org/10.17188/1689789
The Materials Project. 2019. "Materials Data on K2SbH5O6 by Materials Project". United States. doi:https://doi.org/10.17188/1689789. https://www.osti.gov/servlets/purl/1689789. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1689789,
title = {Materials Data on K2SbH5O6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2SbH5O6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to one H1+ and five O2- atoms. The K–H bond length is 2.84 Å. There are a spread of K–O bond distances ranging from 2.71–2.92 Å. In the second K1+ site, K1+ is bonded in a 11-coordinate geometry to seven H1+ and seven O2- atoms. There are a spread of K–H bond distances ranging from 2.64–3.05 Å. There are a spread of K–O bond distances ranging from 2.71–3.02 Å. Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 1.94–2.07 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and 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 three equivalent K1+ and one O2- atom. The H–O bond length is 1.01 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one O2- atom. The H–O bond length is 1.01 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sb5+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+, one Sb5+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+, one Sb5+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Sb5+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Sb5+, and one H1+ atom.},
doi = {10.17188/1689789},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}