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Title: Materials Data on K2MnH4(SeO5)2 by Materials Project

Abstract

K2MnH4(SeO5)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one K2MnH4(SeO5)2 sheet oriented in the (0, 1, 0) direction. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.87 Å. Mn2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.07 Å) and two longer (2.15 Å) Mn–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.71 Å) H–O bond length. Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.68–1.93 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one K1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+,more » one H1+, and one Se6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Mn2+, and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one O2- atom. The O–O bond length is 1.48 Å. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Se6+, and one O2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-542385
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; K2MnH4(SeO5)2; H-K-Mn-O-Se
OSTI Identifier:
1266509
DOI:
https://doi.org/10.17188/1266509

Citation Formats

The Materials Project. Materials Data on K2MnH4(SeO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266509.
The Materials Project. Materials Data on K2MnH4(SeO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1266509
The Materials Project. 2020. "Materials Data on K2MnH4(SeO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1266509. https://www.osti.gov/servlets/purl/1266509. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1266509,
title = {Materials Data on K2MnH4(SeO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2MnH4(SeO5)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one K2MnH4(SeO5)2 sheet oriented in the (0, 1, 0) direction. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.87 Å. Mn2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.07 Å) and two longer (2.15 Å) Mn–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.71 Å) H–O bond length. Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.68–1.93 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one K1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one H1+, and one Se6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Mn2+, and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one O2- atom. The O–O bond length is 1.48 Å. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Se6+, and one O2- atom.},
doi = {10.17188/1266509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}