U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba4TlBiPb2O9 by Materials Project
Abstract
Ba4TlPb2BiO9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to four O2- atoms. There are two shorter (2.72 Å) and two longer (2.73 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.34 Å. In the third Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to four O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–2.81 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to four O2- atoms. There are two shorter (2.72 Å) and two longer (2.80 Å) Ba–O bond lengths. Tl1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.19 Å) and two longer (2.20 Å) Tl–O bond lengths. There are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are one shorter (2.37 Å) and three longer (2.38 Å) Pb–O bond lengths. In the secondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-684884
- 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; Ba4TlBiPb2O9; Ba-Bi-O-Pb-Tl
- OSTI Identifier:
- 1284027
- DOI:
- https://doi.org/10.17188/1284027
Citation Formats
The Materials Project. Materials Data on Ba4TlBiPb2O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284027.
The Materials Project. Materials Data on Ba4TlBiPb2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1284027
The Materials Project. 2020.
"Materials Data on Ba4TlBiPb2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1284027. https://www.osti.gov/servlets/purl/1284027. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1284027,
title = {Materials Data on Ba4TlBiPb2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba4TlPb2BiO9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to four O2- atoms. There are two shorter (2.72 Å) and two longer (2.73 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.34 Å. In the third Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to four O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–2.81 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to four O2- atoms. There are two shorter (2.72 Å) and two longer (2.80 Å) Ba–O bond lengths. Tl1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.19 Å) and two longer (2.20 Å) Tl–O bond lengths. There are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are one shorter (2.37 Å) and three longer (2.38 Å) Pb–O bond lengths. In the second Pb3+ site, Pb3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are one shorter (2.37 Å) and three longer (2.38 Å) Pb–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six O2- atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Bi–O bond distances ranging from 2.04–2.21 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Bi–O bond distances ranging from 2.04–2.21 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba2+, one Tl1+, and one Pb3+ atom. The O–Tl bond length is 2.20 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Pb3+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Ba2+, one Pb3+, and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Ba2+, one Tl1+, and one Pb3+ atom. The O–Tl bond length is 2.19 Å. In the fifth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+ and two Bi3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four Ba2+, one Pb3+, and one Bi3+ atom. In the seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Ba2+, one Tl1+, and one Pb3+ atom. In the eighth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba2+, one Tl1+, and one Pb3+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Pb3+, and one Bi3+ atom.},
doi = {10.17188/1284027},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}