skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on K2MnH4(Cl2O)2 by Materials Project

Abstract

K2MnH4(OCl2)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. There are four shorter (3.32 Å) and four longer (3.39 Å) K–Cl bond lengths. Mn2+ is bonded in an octahedral geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Mn–O bond lengths are 2.21 Å. All Mn–Cl bond lengths are 2.55 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Mn2+ and two equivalent H1+ atoms. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Mn2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-42264
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; K2MnH4(Cl2O)2; Cl-H-K-Mn-O
OSTI Identifier:
1207979
DOI:
10.17188/1207979

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2MnH4(Cl2O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207979.
Persson, Kristin, & Project, Materials. Materials Data on K2MnH4(Cl2O)2 by Materials Project. United States. doi:10.17188/1207979.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2MnH4(Cl2O)2 by Materials Project". United States. doi:10.17188/1207979. https://www.osti.gov/servlets/purl/1207979. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1207979,
title = {Materials Data on K2MnH4(Cl2O)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2MnH4(OCl2)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. There are four shorter (3.32 Å) and four longer (3.39 Å) K–Cl bond lengths. Mn2+ is bonded in an octahedral geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Mn–O bond lengths are 2.21 Å. All Mn–Cl bond lengths are 2.55 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Mn2+ and two equivalent H1+ atoms. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Mn2+ atom.},
doi = {10.17188/1207979},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: