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Title: Materials Data on K3Mn2O8 by Materials Project

Abstract

K3Mn2O8 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.77–3.01 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.76–3.02 Å. In the third K site, K is bonded in a 12-coordinate geometry to six O atoms. There are four shorter (2.84 Å) and two longer (2.85 Å) K–O bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.63 Å) and three longer (1.65 Å) Mn–O bond length. In the second Mn site, Mn is bonded in a tetrahedral geometry to four O atoms. There are a spread of Mn–O bond distances ranging from 1.63–1.65 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four K and one Mn atom. In the second O site, Omore » is bonded in a distorted single-bond geometry to four K and one Mn atom. In the third O site, O is bonded in a distorted single-bond geometry to one K and one Mn atom. In the fourth O site, O is bonded in a distorted single-bond geometry to four K and one Mn atom. In the fifth O site, O is bonded in a distorted single-bond geometry to four K and one Mn atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one K and one Mn atom.« less

Publication Date:
Other Number(s):
mp-510713
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; K3Mn2O8; K-Mn-O
OSTI Identifier:
1263063
DOI:
https://doi.org/10.17188/1263063

Citation Formats

The Materials Project. Materials Data on K3Mn2O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263063.
The Materials Project. Materials Data on K3Mn2O8 by Materials Project. United States. doi:https://doi.org/10.17188/1263063
The Materials Project. 2020. "Materials Data on K3Mn2O8 by Materials Project". United States. doi:https://doi.org/10.17188/1263063. https://www.osti.gov/servlets/purl/1263063. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1263063,
title = {Materials Data on K3Mn2O8 by Materials Project},
author = {The Materials Project},
abstractNote = {K3Mn2O8 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.77–3.01 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.76–3.02 Å. In the third K site, K is bonded in a 12-coordinate geometry to six O atoms. There are four shorter (2.84 Å) and two longer (2.85 Å) K–O bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.63 Å) and three longer (1.65 Å) Mn–O bond length. In the second Mn site, Mn is bonded in a tetrahedral geometry to four O atoms. There are a spread of Mn–O bond distances ranging from 1.63–1.65 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four K and one Mn atom. In the second O site, O is bonded in a distorted single-bond geometry to four K and one Mn atom. In the third O site, O is bonded in a distorted single-bond geometry to one K and one Mn atom. In the fourth O site, O is bonded in a distorted single-bond geometry to four K and one Mn atom. In the fifth O site, O is bonded in a distorted single-bond geometry to four K and one Mn atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one K and one Mn atom.},
doi = {10.17188/1263063},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}