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Title: Materials Data on ZnSb2Cl2O3 by Materials Project

Abstract

ZnSb2O3Cl2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two ZnSb2O3Cl2 sheets oriented in the (0, 0, 1) direction. Zn2+ is bonded in a 4-coordinate geometry to two equivalent O2- and two Cl1- atoms. Both Zn–O bond lengths are 2.11 Å. Both Zn–Cl bond lengths are 2.25 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.03 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.05 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two Sb3+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bondmore » geometry to one Zn2+ atom.« less

Publication Date:
Other Number(s):
mp-1199855
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; ZnSb2Cl2O3; Cl-O-Sb-Zn
OSTI Identifier:
1662305
DOI:
https://doi.org/10.17188/1662305

Citation Formats

The Materials Project. Materials Data on ZnSb2Cl2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662305.
The Materials Project. Materials Data on ZnSb2Cl2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1662305
The Materials Project. 2020. "Materials Data on ZnSb2Cl2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1662305. https://www.osti.gov/servlets/purl/1662305. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1662305,
title = {Materials Data on ZnSb2Cl2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnSb2O3Cl2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two ZnSb2O3Cl2 sheets oriented in the (0, 0, 1) direction. Zn2+ is bonded in a 4-coordinate geometry to two equivalent O2- and two Cl1- atoms. Both Zn–O bond lengths are 2.11 Å. Both Zn–Cl bond lengths are 2.25 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.03 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.05 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two Sb3+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom.},
doi = {10.17188/1662305},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}