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

Title: Materials Data on K3Sb7(SO3)3 by Materials Project

Abstract

K3Sb7(SO3)3 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. K1+ is bonded to one S2- and six O2- atoms to form distorted corner-sharing KSO6 hexagonal pyramids. The K–S bond length is 3.22 Å. There are a spread of K–O bond distances ranging from 2.78–3.02 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.00 Å) and one longer (2.03 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.05 Å. In the third Sb3+ site, Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.45 Å. S2- is bonded in a 2-coordinate geometry to one K1+ and one Sb3+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Sb3+ atoms. In the second O2- site, O2- is bonded to two equivalent K1+ and two Sb3+ atoms to form a mixture of distortedmore » corner and edge-sharing OK2Sb2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent K1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing OK2Sb2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-559272
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; K3Sb7(SO3)3; K-O-S-Sb
OSTI Identifier:
1270752
DOI:
10.17188/1270752

Citation Formats

The Materials Project. Materials Data on K3Sb7(SO3)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270752.
The Materials Project. Materials Data on K3Sb7(SO3)3 by Materials Project. United States. doi:10.17188/1270752.
The Materials Project. 2020. "Materials Data on K3Sb7(SO3)3 by Materials Project". United States. doi:10.17188/1270752. https://www.osti.gov/servlets/purl/1270752. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270752,
title = {Materials Data on K3Sb7(SO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {K3Sb7(SO3)3 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. K1+ is bonded to one S2- and six O2- atoms to form distorted corner-sharing KSO6 hexagonal pyramids. The K–S bond length is 3.22 Å. There are a spread of K–O bond distances ranging from 2.78–3.02 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.00 Å) and one longer (2.03 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.05 Å. In the third Sb3+ site, Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.45 Å. S2- is bonded in a 2-coordinate geometry to one K1+ and one Sb3+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Sb3+ atoms. In the second O2- site, O2- is bonded to two equivalent K1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing OK2Sb2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent K1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing OK2Sb2 tetrahedra.},
doi = {10.17188/1270752},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: