U.S. Department of EnergyOffice of Scientific and Technical Information
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
- 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; Ba-O-S-Zn; BaZnSO; crystal structure
- OSTI Identifier:
- 1267327
- DOI:
- https://doi.org/10.17188/1267327
Citation Formats
Materials Data on BaZnSO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267327.
Materials Data on BaZnSO by Materials Project. United States. doi:https://doi.org/10.17188/1267327
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 04:00:00 UTC 2020
@article{osti_1267327,
title = {Materials Data on BaZnSO by 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}
}