U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiH6ClO7 by Materials Project
Abstract
Li(H2O)3ClO4 crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two ClO4 clusters and one Li(H2O)3 ribbon oriented in the (0, 0, 1) direction. In each ClO4 cluster, there are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In the Li(H2O)3 ribbon, Li is bonded to six equivalent O atoms to form face-sharing LiO6 octahedra. All Li–O bond lengths are 2.15 Å. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. O is bonded in a distorted water-like geometry to two equivalent Li and two equivalent H atoms.
- Publication Date:
- Other Number(s):
- mp-23797
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-H-Li-O; LiH6ClO7; crystal structure
- OSTI Identifier:
- 1199734
- DOI:
- https://doi.org/10.17188/1199734
Citation Formats
Materials Data on LiH6ClO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199734.
Materials Data on LiH6ClO7 by Materials Project. United States. doi:https://doi.org/10.17188/1199734
2020.
"Materials Data on LiH6ClO7 by Materials Project". United States. doi:https://doi.org/10.17188/1199734. https://www.osti.gov/servlets/purl/1199734. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199734,
title = {Materials Data on LiH6ClO7 by Materials Project},
abstractNote = {Li(H2O)3ClO4 crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two ClO4 clusters and one Li(H2O)3 ribbon oriented in the (0, 0, 1) direction. In each ClO4 cluster, there are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In the Li(H2O)3 ribbon, Li is bonded to six equivalent O atoms to form face-sharing LiO6 octahedra. All Li–O bond lengths are 2.15 Å. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. O is bonded in a distorted water-like geometry to two equivalent Li and two equivalent H atoms.},
doi = {10.17188/1199734},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}