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Title: Materials Data on K3ReMoO8 by Materials Project

Abstract

K3MoReO8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.21 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.25 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.77 Å) and three longer (2.93 Å) K–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. All Mo–O bond lengths are 1.80 Å. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.75 Å) and three longer (1.76 Å) Re–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one K1+ and one Re7+ atom. In the third O2- site, O2- is bondedmore » in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Re7+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Re7+ atom.« less

Publication Date:
Other Number(s):
mp-1224026
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; K3ReMoO8; K-Mo-O-Re
OSTI Identifier:
1727133
DOI:
https://doi.org/10.17188/1727133

Citation Formats

The Materials Project. Materials Data on K3ReMoO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727133.
The Materials Project. Materials Data on K3ReMoO8 by Materials Project. United States. doi:https://doi.org/10.17188/1727133
The Materials Project. 2020. "Materials Data on K3ReMoO8 by Materials Project". United States. doi:https://doi.org/10.17188/1727133. https://www.osti.gov/servlets/purl/1727133. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1727133,
title = {Materials Data on K3ReMoO8 by Materials Project},
author = {The Materials Project},
abstractNote = {K3MoReO8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.21 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.25 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.77 Å) and three longer (2.93 Å) K–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. All Mo–O bond lengths are 1.80 Å. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.75 Å) and three longer (1.76 Å) Re–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one K1+ and one Re7+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Re7+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Re7+ atom.},
doi = {10.17188/1727133},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}