Materials Data on Ba4Sb2O by Materials Project
Abstract
Ba4Sb2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to five equivalent Sb3- and one O2- atom to form a mixture of distorted edge and corner-sharing BaSb5O octahedra. The corner-sharing octahedra tilt angles range from 0–19°. There are one shorter (3.53 Å) and four longer (3.82 Å) Ba–Sb bond lengths. The Ba–O bond length is 3.16 Å. In the second Ba2+ site, Ba2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent O2- atoms. All Ba–Sb bond lengths are 3.68 Å. Both Ba–O bond lengths are 2.67 Å. Sb3- is bonded in a 9-coordinate geometry to nine Ba2+ atoms. O2- is bonded to six Ba2+ atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-9774
- 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; Ba4Sb2O; Ba-O-Sb
- OSTI Identifier:
- 1315656
- DOI:
- https://doi.org/10.17188/1315656
Citation Formats
The Materials Project. Materials Data on Ba4Sb2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1315656.
The Materials Project. Materials Data on Ba4Sb2O by Materials Project. United States. doi:https://doi.org/10.17188/1315656
The Materials Project. 2020.
"Materials Data on Ba4Sb2O by Materials Project". United States. doi:https://doi.org/10.17188/1315656. https://www.osti.gov/servlets/purl/1315656. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1315656,
title = {Materials Data on Ba4Sb2O by Materials Project},
author = {The Materials Project},
abstractNote = {Ba4Sb2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to five equivalent Sb3- and one O2- atom to form a mixture of distorted edge and corner-sharing BaSb5O octahedra. The corner-sharing octahedra tilt angles range from 0–19°. There are one shorter (3.53 Å) and four longer (3.82 Å) Ba–Sb bond lengths. The Ba–O bond length is 3.16 Å. In the second Ba2+ site, Ba2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent O2- atoms. All Ba–Sb bond lengths are 3.68 Å. Both Ba–O bond lengths are 2.67 Å. Sb3- is bonded in a 9-coordinate geometry to nine Ba2+ atoms. O2- is bonded to six Ba2+ atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1315656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}