These data sets are directly related (linked) to each other

Phase transition temperature

See all entries for this property (5 total)

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

Download data
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

See all entries for this property (20 total)

Origin: experimental
Phase transition #1
Initial crystal system unknown
Final crystal system unknown
Initial space group unknown
Final space group unknown
Direction both
Phase transition temperature 168.0 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.
Phase transition #2
Initial crystal system unknown
Phase transition temperature K
Fixed parameters:
  • phase transition temperature = 321.0 K
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: HI, CH3NH2, Pb(NO3)2

Product: Partially deuterated MAPbI3

Description: Add concentrated HI to neutralize 20 g of 40% CH3NH2 aqueous solution. Add 7.1 g (0.021 mol) of Pb(NO3)2 solution drop-wise under vigorous stirring at 100°C to the concentrated CH3NH2I solution. Organic crystals form while dripping in the solution. Cool the solution to not below 40°C and filter out the crystals. Wash crystals firstly with n-butanol and then with benzene; subsequently dry crystals in vacuum. Partially N-deuterated samples required for the NMR studies were prepared using D-containing solutions. Refer to Page 413 Experimental.

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, 5:03 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: March 29, 2022, 5:54 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 435 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

See all entries for this property (6 total)

Origin: experimental
Phase transition #1 - IV to III
Initial crystal system unknown
Final crystal system unknown
Initial space group unknown
Final space group unknown
Direction both
Phase transition temperature 148.35 (±0.05) 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 - III to II
Initial crystal system unknown
Final crystal system unknown
Initial space group unknown
Final space group unknown
Direction both
Phase transition temperature 154.2 (±0.1) 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 #3 - II to I (Cubic, Pm3m)
Initial crystal system unknown
Final crystal system cubic
Initial space group unknown
Final space group cubic
Direction both
Phase transition temperature 235.1 (±0.2) 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: HBr, CH3NH2, Pb(NO3)2

Product: MAPbBr3 Single-crystal

Description: Add concentrated HBr to neutralize 20 g of 40% CH3NH2 aqueous solution. Add 7.1 g (0.021 mol) of Pb(NO3)2 solution drop-wise under vigorous stirring at 100°C to the concentrated CH3NH3Br solution. Red organic crystals form while dripping in the solution. Cool the solution to room temperature and filter out the crystals. Wash crystals firstly with n-butanol and then with benzene; subsequently dry crystals in vacuum. Yield: 9.5 g.

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 300 K, using sample masses of 12.8235 g MAPbBr3. 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, 5:11 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: March 29, 2022, 5:16 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 436 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

See all entries for this property (5 total)

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

See all entries for this property (6 total)

Origin: experimental
Phase transition #1
Initial crystal system unknown
Final crystal system cubic
Initial space group Unknown
Final space group Pm3m
Direction Both
Phase transition temperature 227.0 (±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.
Phase transition #2
Initial crystal system unknown
Phase transition temperature K
Fixed parameters:
  • phase transition temperature = 150.0 (±3.0) K
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: HBr, CH3NH2, Pb(NO3)2

Product: Partially deuterated MAPbBr3

Description: Add concentrated HBr to neutralize 20 g of 40% CH3NH2 aqueous solution. Add 7.1 g (0.021 mol) of Pb(NO3)2 solution drop-wise under vigorous stirring at 100°C to the concentrated CH3NH2Br solution. Red organic crystals form while dripping in the solution. Cool the solution to room temperature and filter out the crystals. Wash crystals firstly with n-butanol and then with benzene; subsequently dry crystals in vacuum. Partially N-deuterated samples required for the NMR studies were prepared using D-containing solutions. Refer to Page 413 Experimental.

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, 4:41 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: March 29, 2022, 5:43 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 433 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.