Cesium silver bismuth bromide

Chemical Formula: Cs2AgBiBr6
IUPAC:
Alternate Names: Dicesium tribromoargentate(I) tribromobismuthate(III)
Organic: None
Inorganic: AgBiBr6
Dimensionality: 3D
Formal Stoichiometry: Cs : 2 , Ag : 1 , Bi : 1 , Br : 6
Atomic structure Verified

See all entries for this property (2 total)

Origin: experimental (T = 300.0 K)
Space group: Fm-3m
Lattice parameters

Crystal system: cubic

a:11.2499 (±0.0004) Å
b:11.2499 (±0.0004) Å
c:11.2499 (±0.0004) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 300.0 K
A. H. Slavney, T. Hu, A. M. Lindenberg, and H. I. Karunadasa, A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications, Journal of the American Chemical Society 138, 2138‑2141 (2016). doi: 10.1021/jacs.5b13294.
System description
Dimensionality: 3D
Sample type: single crystal

Starting materials: Solid CsBr, BiBr, 9-M HBr, Solid AgBr

Product: red-orange crystals

Description: First, solid CsBr (0.426 g, 2.00 mmol) and BiBr (0.449 g, 1.00 mmol) were dissolved in 10 mL of 9-M HBr. Afterward, solid AgBr (0.188 g, 1.00 mmol) was added to the mixture. The vial was then capped, heated to 110º C for 2 hours, and cooled to room temperature by controlling the cooling rate to 2ºC/hr or 1ºC/hr. The obtained crystals were filtered on a glass frit and dried under low pressure overnight.

Method: X-ray diffraction

Description: A crystal was coated in Paratone-N oil, placed on a Kapton loop, and transferred to a Bruker D8 Venture diffractometer with a Photon 100 CMOS detector. Data was collected using ωv and ψ scans with 18-keV synchrotron radiation (λ = 0.68880 Å)

A. H. Slavney, T. Hu, A. M. Lindenberg, and H. I. Karunadasa, A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications, Journal of the American Chemical Society 138, 2138‑2141 (2016). doi: 10.1021/jacs.5b13294.

Extraction method: Manually extracted from a publication
Entry added on: May 3, 2020, 11:09 p.m.
Entry added by: Rebecca Lau Duke University
Last updated on: April 19, 2022, 1:39 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 821 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

 

Atomic coordinates


Band gap (optical, integrating sphere) Verified
Assuming direct transition
Origin: experimental (T = 298.0 K)
Space group: Fm-3m
Band gap (optical, integrating sphere)

Crystal system: cubic

Band gap (optical, integrating sphere), eV
Fixed parameters:
  • temperature = 298.0 K
A. H. Slavney, T. Hu, A. M. Lindenberg, and H. I. Karunadasa, A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications, Journal of the American Chemical Society 138, 2138‑2141 (2016). doi: 10.1021/jacs.5b13294.
System description
Dimensionality: 3D
Sample type: powder
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: Solid CsBr, BiBr, 9-M HBr, Solid AgBr

Product: orange powder

Description: First, solid CsBr (0.426 g, 2.00 mmol) and BiBr (0.449 g, 1.00 mmol) were dissolved in 10 mL of 9-M HBr. Afterwards, solid AgBr (0.188 g, 1.00 mmol) was added to the mixture. The vial was then capped, heated to 110º C for 2 hours, and cooled to room temperature. As a result, an orange-powder precipitate formed and was filtered on a glass frit and dried under low pressure overnight.

Method: Estimation through Tauc plot.

Description: Cary 6000i UV-Vis spectrometer equipped with an integrating sphere was used in absorbance mode to collect absorption data. The powder was pressed and mounted on a quartz slide such that incident light was normal to the surface.

A. H. Slavney, T. Hu, A. M. Lindenberg, and H. I. Karunadasa, A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications, Journal of the American Chemical Society 138, 2138‑2141 (2016). doi: 10.1021/jacs.5b13294.

Extraction method: Manually extracted from a publication
Entry added on: May 3, 2020, 11:17 p.m.
Entry added by: Rebecca Lau Duke University
Last updated on: April 19, 2022, 1:43 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 823 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

Absorption spectrum Verified
Origin: experimental (T = 298.0 K)
Space group: Fm-3m
A. H. Slavney, T. Hu, A. M. Lindenberg, and H. I. Karunadasa, A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications, Journal of the American Chemical Society 138, 2138‑2141 (2016). doi: 10.1021/jacs.5b13294.
System description
Dimensionality: 3D
Sample type: powder
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: Solid CsBr, BiBr, 9-M HBr, Solid AgBr

Product: orange powder

Description: First, solid CsBr (0.426 g, 2.00 mmol) and BiBr (0.449 g, 1.00 mmol) were dissolved in 10 mL of 9-M HBr. Afterward, solid AgBr (0.188 g, 1.00 mmol) was added to the mixture. The vial was then capped, heated to 110º C for 2 hours, and cooled to room temperature. As a result, an orange-powder precipitate formed and was filtered on a glass frit and dried under low pressure overnight.

Method: UV-vis absorption

Description: Cary 6000i UV-Vis spectrometer equipped with an integrating sphere was used in absorbance mode to collect absorption data. The powder was pressed and mounted on a quartz slide such that incident light was normal to the surface.

A. H. Slavney, T. Hu, A. M. Lindenberg, and H. I. Karunadasa, A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications, Journal of the American Chemical Society 138, 2138‑2141 (2016). doi: 10.1021/jacs.5b13294.

Extraction method: Engauge Digitizer
Entry added on: May 3, 2020, 11:27 p.m.
Entry added by: Rebecca Lau Duke University
Last updated on: April 19, 2022, 1:43 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 824 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

Photoluminescence Verified

See all entries for this property (2 total)

Origin: experimental (T = 298.0 K)
Space group: Fm-3m
A. H. Slavney, T. Hu, A. M. Lindenberg, and H. I. Karunadasa, A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications, Journal of the American Chemical Society 138, 2138‑2141 (2016). doi: 10.1021/jacs.5b13294.
System description
Dimensionality: 3D
Sample type: powder

Starting materials: Solid CsBr, BiBr, 9-M HBr, Solid AgBr

Product: orange powder

Description: First, solid CsBr (0.426 g, 2.00 mmol) and BiBr (0.449 g, 1.00 mmol) were dissolved in 10 mL of 9-M HBr. Afterward, solid AgBr (0.188 g, 1.00 mmol) was added to the mixture. The vial was then capped, heated to 110º C for 2 hours, and cooled to room temperature. As a result, an orange-powder precipitate formed and was filtered on a glass frit and dried under low pressure overnight.

Method: Photoluminescence

Description: Room-temperature steady-state emission spectra were collected on powders mounted on quartz slides using a Horiba Jobin-Yvon Spex Fluorolog-3 fluorimeter equipped with a 450-W xenon lamp and a thermoelectrically-cooled R928P detector.

A. H. Slavney, T. Hu, A. M. Lindenberg, and H. I. Karunadasa, A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications, Journal of the American Chemical Society 138, 2138‑2141 (2016). doi: 10.1021/jacs.5b13294.

Extraction method: Engauge Digitizer
Entry added on: May 3, 2020, 11:34 p.m.
Entry added by: Rebecca Lau Duke University
Last updated on: April 19, 2022, 1:42 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 825 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!


License

All data is available under the Creative Commons license with attribution clause, described here and, in its full text, here.