bis(butylammonium) tris(methylammonium) tin iodide

Chemical Formula: (C4NH12)2(CNH6)3Sn4I13
IUPAC: bis(butylaminium) tris(methylaminium) tridecaiodo tetrastannate (II)
Alternate Names:
Organic: C11H42N5
Inorganic: Sn4I13
Dimensionality: 2.5D n: 4
Formal Stoichiometry: C : 11 , N : 5 , H : 42 , Sn : 4 , I : 13
Atomic structure
Method: Single-Crystal X-ray Difffraction
Origin: experimental (T = 301.0 K)
Space group: Cmc21
Lattice parameters

Crystal system: orthorhombic

a:64.447 (±0.004) Å
b:8.8422 (±0.0006) Å
c:8.8027 (±0.0006) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 301.0 K
Y. Li, H. Zhou, M. Xia, H. Chen, T. Wang, H. Gao, X. Sheng, Y. Han, Z. Chen, L. Dou, H. Zhu, and E. Shi, Phase-pure 2D tin halide perovskite thin flakes for stable lasing, Science Advances 9, eadh0517‑eadh0517 (2023). doi: 10.1126/sciadv.adh0517.
System description
Dimensionality: 2.5D n: 4
Sample type: single crystal

Starting materials: BAI, MAI, SnI2, HI, H3PO2

Product: Single crystals of 2D tin halide perovskites. Thin flakes were then exfoliated from the single crystals.

Description: Single crystals synthesized by slow cooling method. Growth solution prepared with 0.20mmol BAI, 0.50 MAI, 0.30mmol SnI2, 1mL HI, and 0.1mL H3PO2 in a sealed glass vial and placed in a muffle furnace and heated until completely dissolved. Solution cooled to room temperature at a rate of 2°C/hour. Crystals were then dried and stored in a nitrogen glove box.

Method: Single crystal X-ray diffraction

Description: Phase purity of as synthesized BA2MA(n-1)Sn(n)I(3n+1) crystals were confirmed by PXRD. No impurity signals observed. PXRD performed by Bruker D8 Advance instrument scanning at 0.02° per step with a copper target. All single crystals were analyzed using a Bruker AXS D8 Venture diffractometer with a high-intensity diamond Cu/Mo hybrid dual-microfocal x-ray tube. All data collecting and processing was completed using APEX4 software. Full matrix least squares against F2 method was used for further refinement of structures.

Y. Li, H. Zhou, M. Xia, H. Chen, T. Wang, H. Gao, X. Sheng, Y. Han, Z. Chen, L. Dou, H. Zhu, and E. Shi, Phase-pure 2D tin halide perovskite thin flakes for stable lasing, Science Advances 9, eadh0517‑eadh0517 (2023). doi: 10.1126/sciadv.adh0517.

Extraction method: Manual from article
Entry added on: Jan. 15, 2024, 10:21 p.m.
Entry added by: Kelly Ma
Last updated on: Jan. 15, 2024, 10:21 p.m.
Last updated by: Kelly Ma

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Data set ID: 2459 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


Photoluminescence
Origin: experimental
Space group: Cmc21
Y. Li, H. Zhou, M. Xia, H. Chen, T. Wang, H. Gao, X. Sheng, Y. Han, Z. Chen, L. Dou, H. Zhu, and E. Shi, Phase-pure 2D tin halide perovskite thin flakes for stable lasing, Science Advances 9, eadh0517‑eadh0517 (2023). doi: 10.1126/sciadv.adh0517.
System description
Dimensionality: 2.5D n: 4
Sample type: single crystal

Starting materials: BAI, MAI, SnI2, HI, H3PO2

Product: Single crystals of 2D tin halide perovskites. Thin flakes were then exfoliated from the single crystals.

Description: Single crystals synthesized by slow cooling method. Growth solution prepared with 0.20mmol BAI, 0.50 MAI, 0.30mmol SnI2, 1mL HI, and 0.1mL H3PO2 in a sealed glass vial and placed in a muffle furnace and heated until completely dissolved. Solution cooled to room temperature at a rate of 2°C/hour. Crystals were then dried and stored in a nitrogen glove box.

Method: Photoluminescence spectroscopy

Description: Samples excited with mercury fluorescence light source (C-LHGFI HG LAMP). The flourescence filter cube contains a bandpass filter from 330-385 nm for excitation, a dichroic mirror with a cutoff wavelength of 400nm for light splitting, and a long pass filter of 410nm for emission. PL spectra were collected by Princeton Instruments spectrometer (HRS-300S).

Y. Li, H. Zhou, M. Xia, H. Chen, T. Wang, H. Gao, X. Sheng, Y. Han, Z. Chen, L. Dou, H. Zhu, and E. Shi, Phase-pure 2D tin halide perovskite thin flakes for stable lasing, Science Advances 9, eadh0517‑eadh0517 (2023). doi: 10.1126/sciadv.adh0517.

Extraction method: Manual from article
Entry added on: Dec. 12, 2023, 1:07 p.m.
Entry added by: Kelly Ma
Last updated on: Jan. 11, 2024, 9:50 p.m.
Last updated by: Kelly Ma

Download data
Data set ID: 2445 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
Origin: experimental
Space group: Cmc21
Y. Li, H. Zhou, M. Xia, H. Chen, T. Wang, H. Gao, X. Sheng, Y. Han, Z. Chen, L. Dou, H. Zhu, and E. Shi, Phase-pure 2D tin halide perovskite thin flakes for stable lasing, Science Advances 9, eadh0517‑eadh0517 (2023). doi: 10.1126/sciadv.adh0517.
System description
Dimensionality: 2.5D n: 4
Sample type: single crystal

Starting materials: BAI, MAI, SnI2, HI, H3PO2

Product: Single crystals of 2D tin halide perovskites

Description: Single crystals synthesized by slow cooling method. Growth solution prepared with 0.20mmol BAI, 0.50 MAI, 0.30mmol SnI2, 1mL HI, and 0.1mL H3PO2 in a sealed glass vial and placed in a muffle furnace and heated until completely dissolved. Solution cooled to room temperature at a rate of 2°C/hour. Crystals were then dried and stored in a nitrogen glove box.

Method: UV-Vis absorption

Description: UV-vis absorption spectra collected by CRAIC 20/30PV Pro instrument. Transmission (T) and reflection (R) spectra collected at the same location. abs. = -log[T/(1-R)] used to transform relationship between absorption spectrum and wavelength.

Y. Li, H. Zhou, M. Xia, H. Chen, T. Wang, H. Gao, X. Sheng, Y. Han, Z. Chen, L. Dou, H. Zhu, and E. Shi, Phase-pure 2D tin halide perovskite thin flakes for stable lasing, Science Advances 9, eadh0517‑eadh0517 (2023). doi: 10.1126/sciadv.adh0517.

Extraction method: Manual from article
Entry added on: Dec. 12, 2023, 1:32 p.m.
Entry added by: Kelly Ma
Last updated on: Dec. 12, 2023, 1:32 p.m.
Last updated by: Kelly Ma

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Data set ID: 2450 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!

Powder X-ray diffraction
Origin: experimental
Y. Li, H. Zhou, M. Xia, H. Chen, T. Wang, H. Gao, X. Sheng, Y. Han, Z. Chen, L. Dou, H. Zhu, and E. Shi, Phase-pure 2D tin halide perovskite thin flakes for stable lasing, Science Advances 9, eadh0517‑eadh0517 (2023). doi: 10.1126/sciadv.adh0517.
System description
Dimensionality: 2.5D n: 4
Sample type: powder

Starting materials: BAI, MAI, SnI2, HI, H3PO2

Product: Single crystals of 2D tin halide perovskites. Thin flakes were then exfoliated from the single crystals.

Description: Single crystals synthesized by slow cooling method. Growth solution prepared with 0.20mmol BAI, 0.50 MAI, 0.30mmol SnI2, 1mL HI, and 0.1mL H3PO2 in a sealed glass vial and placed in a muffle furnace and heated until completely dissolved. Solution cooled to room temperature at a rate of 2°C/hour. Crystals were then dried and stored in a nitrogen glove box.

Method: Powder X-ray diffraction (PXRD)

Description: Phase purity of as synthesized BA2MA(n-1)Sn(n)I(3n+1) crystals were confirmed by PXRD. No impurity signals observed. PXRD performed by Bruker D8 Advance instrument scanning at 0.02° per step with a copper target. All single crystals were analyzed using a Bruker AXS D8 Venture diffractometer with a high-intensity diamond Cu/Mo hybrid dual-microfocal x-ray tube. All data collecting and processing was completed using APEX4 software. Full matrix least squares against F2 method was used for further refinement of structures.

Y. Li, H. Zhou, M. Xia, H. Chen, T. Wang, H. Gao, X. Sheng, Y. Han, Z. Chen, L. Dou, H. Zhu, and E. Shi, Phase-pure 2D tin halide perovskite thin flakes for stable lasing, Science Advances 9, eadh0517‑eadh0517 (2023). doi: 10.1126/sciadv.adh0517.

Extraction method: Manual from article
Entry added on: Jan. 11, 2024, 10:44 p.m.
Entry added by: Kelly Ma
Last updated on: Jan. 12, 2024, 10:42 a.m.
Last updated by: Kelly Ma

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Data set ID: 2451 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!

Exciton binding energy
Origin: experimental
Exciton binding energy

Crystal system: unknown

Exciton binding energy, meV
Y. Li, H. Zhou, M. Xia, H. Chen, T. Wang, H. Gao, X. Sheng, Y. Han, Z. Chen, L. Dou, H. Zhu, and E. Shi, Phase-pure 2D tin halide perovskite thin flakes for stable lasing, Science Advances 9, eadh0517‑eadh0517 (2023). doi: 10.1126/sciadv.adh0517.
System description
Dimensionality: 2.5D n: 4
Sample type: single crystal

Starting materials: BAI, MAI, SnI2, HI, H3PO2

Product: Single crystals of 2D tin halide perovskites. Thin flakes were then exfoliated from the single crystals.

Description: Single crystals synthesized by slow cooling method. Growth solution prepared with 0.20mmol BAI, 0.50 MAI, 0.30mmol SnI2, 1mL HI, and 0.1mL H3PO2 in a sealed glass vial and placed in a muffle furnace and heated until completely dissolved. Solution cooled to room temperature at a rate of 2°C/hour. Crystals were then dried and stored in a nitrogen glove box.

Method: Arrhenius formula fitting

Description: Temperature dependent PL measurements were conducted by combining a Linkam THMS600 stage with the Witec system. Air was purged from stage chamber with dry nitrogen to remove water and oxygen. Cooling rate set to 20 degrees Celsius/min. 50x objective lens used for signal collecting. Exciton binding energies extracted from Arrhenius formula fitting from the integrated PL intensity.

Y. Li, H. Zhou, M. Xia, H. Chen, T. Wang, H. Gao, X. Sheng, Y. Han, Z. Chen, L. Dou, H. Zhu, and E. Shi, Phase-pure 2D tin halide perovskite thin flakes for stable lasing, Science Advances 9, eadh0517‑eadh0517 (2023). doi: 10.1126/sciadv.adh0517.

Entry added on: Feb. 29, 2024, 9:38 p.m.
Entry added by: Kelly Ma
Last updated on: Feb. 29, 2024, 9:38 p.m.
Last updated by: Kelly Ma

Download data
Data set ID: 2490 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.