skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BaZnSO by Materials Project

Abstract

BaZnOS crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. There are two shorter (3.27 Å) and two longer (3.29 Å) Ba–S bond lengths. All Ba–O bond lengths are 2.89 Å. Zn2+ is bonded to two equivalent S2- and two equivalent O2- atoms to form corner-sharing ZnS2O2 tetrahedra. Both Zn–S bond lengths are 2.35 Å. Both Zn–O bond lengths are 2.01 Å. S2- is bonded in a 2-coordinate geometry to four equivalent Ba2+ and two equivalent Zn2+ atoms. O2- is bonded to four equivalent Ba2+ and two equivalent Zn2+ atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Zn2 octahedra. The corner-sharing octahedral tilt angles are 58°.

Publication Date:
Other Number(s):
mp-548469
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; BaZnSO; Ba-O-S-Zn
OSTI Identifier:
1267327
DOI:
https://doi.org/10.17188/1267327

Citation Formats

The Materials Project. Materials Data on BaZnSO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267327.
The Materials Project. Materials Data on BaZnSO by Materials Project. United States. doi:https://doi.org/10.17188/1267327
The Materials Project. 2020. "Materials Data on BaZnSO by Materials Project". United States. doi:https://doi.org/10.17188/1267327. https://www.osti.gov/servlets/purl/1267327. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267327,
title = {Materials Data on BaZnSO by Materials Project},
author = {The Materials Project},
abstractNote = {BaZnOS crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. There are two shorter (3.27 Å) and two longer (3.29 Å) Ba–S bond lengths. All Ba–O bond lengths are 2.89 Å. Zn2+ is bonded to two equivalent S2- and two equivalent O2- atoms to form corner-sharing ZnS2O2 tetrahedra. Both Zn–S bond lengths are 2.35 Å. Both Zn–O bond lengths are 2.01 Å. S2- is bonded in a 2-coordinate geometry to four equivalent Ba2+ and two equivalent Zn2+ atoms. O2- is bonded to four equivalent Ba2+ and two equivalent Zn2+ atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Zn2 octahedra. The corner-sharing octahedral tilt angles are 58°.},
doi = {10.17188/1267327},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}