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Title: Materials Data on LiZn(HCl)3 by Materials Project

Abstract

LiZn(HCl)3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two LiZn(HCl)3 sheets oriented in the (0, 0, 1) direction. Li is bonded in a 2-coordinate geometry to three H and two equivalent Cl atoms. There are one shorter (2.02 Å) and two longer (2.20 Å) Li–H bond lengths. Both Li–Cl bond lengths are 2.27 Å. Zn is bonded to four Cl atoms to form corner-sharing ZnCl4 tetrahedra. There are a spread of Zn–Cl bond distances ranging from 2.27–2.34 Å. There are two inequivalent H sites. In the first H site, H is bonded in a 1-coordinate geometry to one Li and one H atom. The H–H bond length is 0.96 Å. In the second H site, H is bonded in a T-shaped geometry to one Li and two equivalent H atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to one Li and one Zn atom. In the second Cl site, Cl is bonded in a bent 120 degrees geometry to two equivalent Zn atoms.

Publication Date:
Other Number(s):
mp-1211644
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; LiZn(HCl)3; Cl-H-Li-Zn
OSTI Identifier:
1685525
DOI:
https://doi.org/10.17188/1685525

Citation Formats

The Materials Project. Materials Data on LiZn(HCl)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685525.
The Materials Project. Materials Data on LiZn(HCl)3 by Materials Project. United States. doi:https://doi.org/10.17188/1685525
The Materials Project. 2019. "Materials Data on LiZn(HCl)3 by Materials Project". United States. doi:https://doi.org/10.17188/1685525. https://www.osti.gov/servlets/purl/1685525. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685525,
title = {Materials Data on LiZn(HCl)3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiZn(HCl)3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two LiZn(HCl)3 sheets oriented in the (0, 0, 1) direction. Li is bonded in a 2-coordinate geometry to three H and two equivalent Cl atoms. There are one shorter (2.02 Å) and two longer (2.20 Å) Li–H bond lengths. Both Li–Cl bond lengths are 2.27 Å. Zn is bonded to four Cl atoms to form corner-sharing ZnCl4 tetrahedra. There are a spread of Zn–Cl bond distances ranging from 2.27–2.34 Å. There are two inequivalent H sites. In the first H site, H is bonded in a 1-coordinate geometry to one Li and one H atom. The H–H bond length is 0.96 Å. In the second H site, H is bonded in a T-shaped geometry to one Li and two equivalent H atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to one Li and one Zn atom. In the second Cl site, Cl is bonded in a bent 120 degrees geometry to two equivalent Zn atoms.},
doi = {10.17188/1685525},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}