Methylammonium lead chloride: phase transition temperature

Phase transition temperature Verified
Origin: experimental
Phase transition
Initial crystal system unknown
Final crystal system cubic
Initial space group unknown
Final space group cubic
Direction both
Phase transition temperature 178.0 (±5.0) K

Hysteresis: NIL

O. Knop, R. Wasylishen, M. White, T. Cameron, and M. Van Oort, Alkylammonium lead halides. Part 2. CH3NH3PbX3 (X = Cl, Br, I) perovskites: cuboctahedral halide cages with isotropic cation reorientation, Canadian Journal of Chemistry 68, 412‑422 (1990). doi: 10.1139/v90-063.
System description
Dimensionality: 3D
Sample type: powder

Starting materials: HCl, CD3NH2, PbCl2

Product: CD3NH3PbCl3 crystals

Description: Primarily referenced the methods of [1] and [2]. The synthesis of MAPbBr3 in ref [2] was modified to prepare CD3NH3PbCl3.

Comment: Synthesis references: [1] Canadian Journal of Chemistry, 1987, 65(5): 1042-1046 https://doi.org/10.1139/v87-176 [2] D. WEBER. Z. Naturforsch. 33b, 1443 (1978).

Method: 2H and 14N NMR

Description: Measurements were carried out at 8.48 T with a Nicolet 360NB spectrometer using a broad band (16-58 MHz) variable-temperature 10 mm probe supplied by Nicolet. The 2-H and 14-N frequencies were 55.427 and 26.083 MHz, respectively. Refer to Page 414 Results section Existence of transitions subsection.

O. Knop, R. Wasylishen, M. White, T. Cameron, and M. Van Oort, Alkylammonium lead halides. Part 2. CH3NH3PbX3 (X = Cl, Br, I) perovskites: cuboctahedral halide cages with isotropic cation reorientation, Canadian Journal of Chemistry 68, 412‑422 (1990). doi: 10.1139/v90-063.

Extraction method: Manual entry
Entry added on: June 9, 2019, 5:01 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: March 29, 2022, 5:49 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 434 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!

Phase transition temperature Verified
Origin: experimental
Phase transition #1 - III to II
Initial crystal system unknown
Final crystal system unknown
Initial space group unknown
Final space group unknown
Direction both
Phase transition temperature 171.49 (±0.02) K

Hysteresis: NIL

O. Knop, R. Wasylishen, M. White, T. Cameron, and M. Van Oort, Alkylammonium lead halides. Part 2. CH3NH3PbX3 (X = Cl, Br, I) perovskites: cuboctahedral halide cages with isotropic cation reorientation, Canadian Journal of Chemistry 68, 412‑422 (1990). doi: 10.1139/v90-063.
Phase transition #2 - II to I (Cubic, Pm3m)
Initial crystal system unknown
Final crystal system cubic
Initial space group unknown
Final space group Pm3m
Direction both
Phase transition temperature 177.36 (±0.03) K

Hysteresis: NIL

O. Knop, R. Wasylishen, M. White, T. Cameron, and M. Van Oort, Alkylammonium lead halides. Part 2. CH3NH3PbX3 (X = Cl, Br, I) perovskites: cuboctahedral halide cages with isotropic cation reorientation, Canadian Journal of Chemistry 68, 412‑422 (1990). doi: 10.1139/v90-063.
System description
Dimensionality: 3D
Sample type: powder

Starting materials: HCl, CH3NH2, PbCl2

Product: MAPbCl3 Single-crystal

Description: Primarily referenced the methods of [1] and [2]. The synthesis of MAPbBr3 in ref [2] was modified to prepare MAPbCl3.

Comment: Synthesis references: [1] Canadian Journal of Chemistry, 1987, 65(5): 1042-1046 https://doi.org/10.1139/v87-176 [2] D. WEBER. Z. Naturforsch. 33b, 1443 (1978).

Method: Adiabatic calorimetry

Description: The heat capacities were measured in an adiabatic calorimeter from 30 to 345 K, using sample masses of 14.6883 g MAPbCl3. Refer to Page 414 Table 1.

O. Knop, R. Wasylishen, M. White, T. Cameron, and M. Van Oort, Alkylammonium lead halides. Part 2. CH3NH3PbX3 (X = Cl, Br, I) perovskites: cuboctahedral halide cages with isotropic cation reorientation, Canadian Journal of Chemistry 68, 412‑422 (1990). doi: 10.1139/v90-063.

Extraction method: Manual entry
Entry added on: June 9, 2019, 5:17 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: March 29, 2022, 5:18 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 437 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!

Phase transition temperature Verified
Origin: experimental
Phase transition
Initial crystal system unknown
Final crystal system unknown
Initial space group unknown
Final space group unknown
Direction both
Phase transition temperature 175.0 K

Hysteresis: NIL

R. Wasylishen, O. Knop, and J. Macdonald, CATION ROTATION IN METHYLAMMONIUM LEAD HALIDES, Solid State Communications 56, 581‑582 (1985). doi: 10.1016/0038-1098(85)90959-7.
System description
Dimensionality: 3D
Sample type: single crystal

Starting materials: Not specified

Product: MAPbCl3 single crystals

Description: The procedure mentioned in ref [1] for MAPbBr3 was modified. A D2O-H2O mixture was used to prepare the N-deuterated samples.

Comment: Synthesis references: [1] D. Weber, Z. Naturforsch. 33b, 1443 (1978).

Method: 2H and 14N NMR

Description: 2H and 14N NMR spectra were recorded at 55.4257 and 26.083 MHz, respectively, on a Nicolet 360 NB spectrometer (B0 = 8.48 T). Refer to Page 581.

R. Wasylishen, O. Knop, and J. Macdonald, CATION ROTATION IN METHYLAMMONIUM LEAD HALIDES, Solid State Communications 56, 581‑582 (1985). doi: 10.1016/0038-1098(85)90959-7.

Extraction method: Manual entry
Entry added on: June 9, 2019, 6:01 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: March 29, 2022, 6:13 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 440 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!

Phase transition temperature Verified
Origin: experimental
Phase transition #1
Initial crystal system orthorhombic
Final crystal system tetragonal
Initial space group P222_1
Final space group P4mm
Direction Unknown
Phase transition temperature 171.5 K

Hysteresis: NIL

N. Onoda-Yamamuro, T. Matsuo, and H. Suga, Calorimetric and IR Spectroscopic Studies of Phase Transitions in Methylammonium Trihalogenoplumbates (II), Journal of Physics and Chemistry of Solids 51, 1383‑1395 (1990). doi: 10.1016/0022-3697(90)90021-7.
Phase transition #2
Initial crystal system tetragonal
Final crystal system cubic
Initial space group P4mm
Final space group Pm3m
Direction Unknown
Phase transition temperature 177.2 K

Hysteresis: NIL

N. Onoda-Yamamuro, T. Matsuo, and H. Suga, Calorimetric and IR Spectroscopic Studies of Phase Transitions in Methylammonium Trihalogenoplumbates (II), Journal of Physics and Chemistry of Solids 51, 1383‑1395 (1990). doi: 10.1016/0022-3697(90)90021-7.
System description
Dimensionality: 3D
Sample type: single crystal

Starting materials: Pb(CH3CO2)2, MACl

Product: Colorless MAPbCl3 cube-shaped crystals of 1-2 mm from the edge

Description: Add aqueous solution of Pb(CH3CO2)2 drop by drop to an excess quantity of hot aqueous MACl solution and cool slowly to 5 °C.

Method: Adiabatic calorimetry

Description: The heat capacities were measured with a computerized adiabatic calorimeter [1, 2]. The temperature ranges of the measurement were between 13 and 300 K. The mass of the calorimetric sample was 6.0483 g.

Comment: References: [1] Tatsumi M., Matsuo T., Suga H. and Seki S., Bull. chem. Soc. Jap. 48, 3060 (1975). [2] Matsuo T. and Suga H., Thermochim. Acta 88, 149 (1985).

N. Onoda-Yamamuro, T. Matsuo, and H. Suga, Calorimetric and IR Spectroscopic Studies of Phase Transitions in Methylammonium Trihalogenoplumbates (II), Journal of Physics and Chemistry of Solids 51, 1383‑1395 (1990). doi: 10.1016/0022-3697(90)90021-7.

Extraction method: Manual entry
Entry added on: June 16, 2019, 8:43 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: Aug. 31, 2022, 2:38 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 441 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!

Phase transition temperature Verified
Origin: experimental
Phase transition #1
Initial crystal system orthorhombic
Final crystal system tetragonal
Initial space group P222_1
Final space group P4/mmm
Direction Unknown
Phase transition temperature 172.9 K

Hysteresis: NIL

A. Poglitsch and D. Weber, Dynamic disorder in methylammoniumtrihalogenoplumbates (II) observed by millimeter-wave spectroscopy, The Journal of Chemical Physics 87, 6373‑6378 (1987). doi: 10.1063/1.453467.
Phase transition #2
Initial crystal system tetragonal
Final crystal system cubic
Initial space group P4/mmm
Final space group Pm3m
Direction Unknown
Phase transition temperature 178.8 K

Hysteresis: NIL

A. Poglitsch and D. Weber, Dynamic disorder in methylammoniumtrihalogenoplumbates (II) observed by millimeter-wave spectroscopy, The Journal of Chemical Physics 87, 6373‑6378 (1987). doi: 10.1063/1.453467.
System description
Dimensionality: 3D
Sample type: powder

Starting materials: lead (II) acetate, CH3NH3+ (by adding a 40% solution of CH3NH2 in water), concentrated HCl

Product: Colorless MAPbCl3 crystals

Description: CH3NH3PbCI3 was synthesized from lead (II) acetate and CH3NH3+ dissolved in concentrated HCl solution. The aqueous solution was cooled from l00°C to room temperature to obtain the colorless crystals.

Method: Temperature-dependent Guinier-Simon photograph

Description: No method specified. Refer to Page 6374 Table I.

A. Poglitsch and D. Weber, Dynamic disorder in methylammoniumtrihalogenoplumbates (II) observed by millimeter-wave spectroscopy, The Journal of Chemical Physics 87, 6373‑6378 (1987). doi: 10.1063/1.453467.

Entry added on: June 18, 2019, 11:41 a.m.
Entry added by: Xiaochen Du Duke University
Last updated on: March 29, 2022, 1:55 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 446 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!


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