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Title: Materials Data on K2MnV14O40 by Materials Project

Abstract

K2V14MnO40 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two K2V14MnO40 sheets oriented in the (0, 0, 1) direction. K is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (2.79 Å) and four longer (2.83 Å) K–O bond lengths. There are three inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.61–2.49 Å. In the second V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.68–2.36 Å. In the third V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.63–2.32 Å. Mn is bonded in an octahedral geometry to six O atoms. There is two shorter (1.87 Å) and four longer (1.95 Å) Mn–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to five V and one Mn atom. In the second O site, O is bonded inmore » a trigonal non-coplanar geometry to three V atoms. In the third O site, O is bonded in a distorted single-bond geometry to one K and one V atom. In the fourth O site, O is bonded to four V and one Mn atom to form a mixture of distorted edge and corner-sharing OMnV4 square pyramids. In the fifth O site, O is bonded in a single-bond geometry to one V atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one K and one V atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1195076
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; K2MnV14O40; K-Mn-O-V
OSTI Identifier:
1672986
DOI:
https://doi.org/10.17188/1672986

Citation Formats

The Materials Project. Materials Data on K2MnV14O40 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672986.
The Materials Project. Materials Data on K2MnV14O40 by Materials Project. United States. doi:https://doi.org/10.17188/1672986
The Materials Project. 2020. "Materials Data on K2MnV14O40 by Materials Project". United States. doi:https://doi.org/10.17188/1672986. https://www.osti.gov/servlets/purl/1672986. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1672986,
title = {Materials Data on K2MnV14O40 by Materials Project},
author = {The Materials Project},
abstractNote = {K2V14MnO40 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two K2V14MnO40 sheets oriented in the (0, 0, 1) direction. K is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (2.79 Å) and four longer (2.83 Å) K–O bond lengths. There are three inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.61–2.49 Å. In the second V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.68–2.36 Å. In the third V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.63–2.32 Å. Mn is bonded in an octahedral geometry to six O atoms. There is two shorter (1.87 Å) and four longer (1.95 Å) Mn–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to five V and one Mn atom. In the second O site, O is bonded in a trigonal non-coplanar geometry to three V atoms. In the third O site, O is bonded in a distorted single-bond geometry to one K and one V atom. In the fourth O site, O is bonded to four V and one Mn atom to form a mixture of distorted edge and corner-sharing OMnV4 square pyramids. In the fifth O site, O is bonded in a single-bond geometry to one V atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one K and one V atom.},
doi = {10.17188/1672986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}