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Title: Materials Data on KMnCl3O2 by Materials Project

Abstract

KMnO2Cl3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to two O and seven Cl atoms. There are one shorter (3.03 Å) and one longer (3.07 Å) K–O bond lengths. There are a spread of K–Cl bond distances ranging from 3.22–3.43 Å. Mn is bonded in a 6-coordinate geometry to two O and four Cl atoms. Both Mn–O bond lengths are 1.72 Å. There are a spread of Mn–Cl bond distances ranging from 2.27–2.63 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one K and one Mn atom. In the second O site, O is bonded in a single-bond geometry to one K and one Mn atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Mn atoms. In the second Cl site, Cl is bonded in a distorted single-bond geometry to two equivalent K and one Mn atom. In the third Cl site, Cl is bonded in a distorted see-saw-like geometry to three equivalent K and one Mn atom.

Authors:
Publication Date:
Other Number(s):
mp-1103922
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; KMnCl3O2; Cl-K-Mn-O
OSTI Identifier:
1753217
DOI:
https://doi.org/10.17188/1753217

Citation Formats

The Materials Project. Materials Data on KMnCl3O2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753217.
The Materials Project. Materials Data on KMnCl3O2 by Materials Project. United States. doi:https://doi.org/10.17188/1753217
The Materials Project. 2020. "Materials Data on KMnCl3O2 by Materials Project". United States. doi:https://doi.org/10.17188/1753217. https://www.osti.gov/servlets/purl/1753217. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1753217,
title = {Materials Data on KMnCl3O2 by Materials Project},
author = {The Materials Project},
abstractNote = {KMnO2Cl3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to two O and seven Cl atoms. There are one shorter (3.03 Å) and one longer (3.07 Å) K–O bond lengths. There are a spread of K–Cl bond distances ranging from 3.22–3.43 Å. Mn is bonded in a 6-coordinate geometry to two O and four Cl atoms. Both Mn–O bond lengths are 1.72 Å. There are a spread of Mn–Cl bond distances ranging from 2.27–2.63 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one K and one Mn atom. In the second O site, O is bonded in a single-bond geometry to one K and one Mn atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Mn atoms. In the second Cl site, Cl is bonded in a distorted single-bond geometry to two equivalent K and one Mn atom. In the third Cl site, Cl is bonded in a distorted see-saw-like geometry to three equivalent K and one Mn atom.},
doi = {10.17188/1753217},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}