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Title: Materials Data on K2MoSO3 by Materials Project

Abstract

K2MoSO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to two equivalent S2- and six O2- atoms. There are one shorter (3.17 Å) and one longer (3.18 Å) K–S bond lengths. There are a spread of K–O bond distances ranging from 2.79–3.27 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to three equivalent S2- and six O2- atoms. There are two shorter (3.33 Å) and one longer (3.63 Å) K–S bond lengths. There are a spread of K–O bond distances ranging from 2.84–3.26 Å. Mo6+ is bonded in a distorted tetrahedral geometry to one S2- and three O2- atoms. The Mo–S bond length is 2.26 Å. There is one shorter (1.78 Å) and two longer (1.79 Å) Mo–O bond length. S2- is bonded in a 6-coordinate geometry to five K1+ and one Mo6+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+more » and one Mo6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1104220
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; K2MoSO3; K-Mo-O-S
OSTI Identifier:
1705892
DOI:
https://doi.org/10.17188/1705892

Citation Formats

The Materials Project. Materials Data on K2MoSO3 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1705892.
The Materials Project. Materials Data on K2MoSO3 by Materials Project. United States. doi:https://doi.org/10.17188/1705892
The Materials Project. 2018. "Materials Data on K2MoSO3 by Materials Project". United States. doi:https://doi.org/10.17188/1705892. https://www.osti.gov/servlets/purl/1705892. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1705892,
title = {Materials Data on K2MoSO3 by Materials Project},
author = {The Materials Project},
abstractNote = {K2MoSO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to two equivalent S2- and six O2- atoms. There are one shorter (3.17 Å) and one longer (3.18 Å) K–S bond lengths. There are a spread of K–O bond distances ranging from 2.79–3.27 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to three equivalent S2- and six O2- atoms. There are two shorter (3.33 Å) and one longer (3.63 Å) K–S bond lengths. There are a spread of K–O bond distances ranging from 2.84–3.26 Å. Mo6+ is bonded in a distorted tetrahedral geometry to one S2- and three O2- atoms. The Mo–S bond length is 2.26 Å. There is one shorter (1.78 Å) and two longer (1.79 Å) Mo–O bond length. S2- is bonded in a 6-coordinate geometry to five K1+ and one Mo6+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom.},
doi = {10.17188/1705892},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}