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Title: Materials Data on LiMnH6O7 by Materials Project

Abstract

Li(H2O)3MnO4 crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two mangan(iv)-hydroxyd molecules and one Li(H2O)3 ribbon oriented in the (0, 0, 1) direction. In the Li(H2O)3 ribbon, Li1+ is bonded to six equivalent O2- atoms to form face-sharing LiO6 octahedra. There are three shorter (2.16 Å) and three longer (2.17 Å) Li–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to two equivalent Li1+ and two equivalent H1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-25568
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; LiMnH6O7; H-Li-Mn-O
OSTI Identifier:
1200764
DOI:
https://doi.org/10.17188/1200764

Citation Formats

The Materials Project. Materials Data on LiMnH6O7 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1200764.
The Materials Project. Materials Data on LiMnH6O7 by Materials Project. United States. doi:https://doi.org/10.17188/1200764
The Materials Project. 2017. "Materials Data on LiMnH6O7 by Materials Project". United States. doi:https://doi.org/10.17188/1200764. https://www.osti.gov/servlets/purl/1200764. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1200764,
title = {Materials Data on LiMnH6O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Li(H2O)3MnO4 crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two mangan(iv)-hydroxyd molecules and one Li(H2O)3 ribbon oriented in the (0, 0, 1) direction. In the Li(H2O)3 ribbon, Li1+ is bonded to six equivalent O2- atoms to form face-sharing LiO6 octahedra. There are three shorter (2.16 Å) and three longer (2.17 Å) Li–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to two equivalent Li1+ and two equivalent H1+ atoms.},
doi = {10.17188/1200764},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}