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Title: Materials Data on KMn2(MoO5)2 by Materials Project

Abstract

KMn2(MoO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.29 Å. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Mo–O bond distances ranging from 1.74–1.83 Å. Mn+3.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MoO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.86–2.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Mo6+, and one Mn+3.50+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Mo6+, and two equivalentmore » Mn+3.50+ atoms.« less

Publication Date:
Other Number(s):
mp-1104584
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; KMn2(MoO5)2; K-Mn-Mo-O
OSTI Identifier:
1656302
DOI:
https://doi.org/10.17188/1656302

Citation Formats

The Materials Project. Materials Data on KMn2(MoO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656302.
The Materials Project. Materials Data on KMn2(MoO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1656302
The Materials Project. 2020. "Materials Data on KMn2(MoO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1656302. https://www.osti.gov/servlets/purl/1656302. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1656302,
title = {Materials Data on KMn2(MoO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KMn2(MoO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.29 Å. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Mo–O bond distances ranging from 1.74–1.83 Å. Mn+3.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MoO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.86–2.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Mo6+, and one Mn+3.50+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Mo6+, and two equivalent Mn+3.50+ atoms.},
doi = {10.17188/1656302},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}