Materials Data on Bi2S2O by Materials Project
Abstract
Bi2OS2 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BiO sheet oriented in the (0, 0, 1) direction and one BiS2 sheet oriented in the (0, 0, 1) direction. In the BiO sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.36 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the BiS2 sheet, Bi3+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing BiS6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Bi–S bond distances ranging from 2.54–3.41 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing SBi5 square pyramids. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one Bi3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1078366
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Bi2S2O; Bi-O-S
- OSTI Identifier:
- 1695371
- DOI:
- https://doi.org/10.17188/1695371
Citation Formats
The Materials Project. Materials Data on Bi2S2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695371.
The Materials Project. Materials Data on Bi2S2O by Materials Project. United States. doi:https://doi.org/10.17188/1695371
The Materials Project. 2020.
"Materials Data on Bi2S2O by Materials Project". United States. doi:https://doi.org/10.17188/1695371. https://www.osti.gov/servlets/purl/1695371. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1695371,
title = {Materials Data on Bi2S2O by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2OS2 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BiO sheet oriented in the (0, 0, 1) direction and one BiS2 sheet oriented in the (0, 0, 1) direction. In the BiO sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.36 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the BiS2 sheet, Bi3+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing BiS6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Bi–S bond distances ranging from 2.54–3.41 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing SBi5 square pyramids. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one Bi3+ atom.},
doi = {10.17188/1695371},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 09 00:00:00 EDT 2020},
month = {Sat May 09 00:00:00 EDT 2020}
}