See all entries for this property (24 total)
Crystal system: orthorhombic
| a: | 7.9434 (±0.0004) Å |
| b: | 11.8499 (±0.0005) Å |
| c: | 8.5918 (±0.0004) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: orthorhombic
| a: | 7.9452 (±0.0004) Å |
| b: | 11.8507 (±0.0006) Å |
| c: | 8.5906 (±0.0004) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: orthorhombic
| a: | 7.9521 (±0.0004) Å |
| b: | 11.8516 (±0.0006) Å |
| c: | 8.5886 (±0.0004) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: orthorhombic
| a: | 7.9658 (±0.0004) Å |
| b: | 11.8525 (±0.0006) Å |
| c: | 8.5841 (±0.0004) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: orthorhombic
| a: | 7.9856 (±0.0005) Å |
| b: | 11.8534 (±0.0007) Å |
| c: | 8.5771 (±0.0005) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: orthorhombic
| a: | 7.9984 (±0.0007) Å |
| b: | 11.8551 (±0.0009) Å |
| c: | 8.5742 (±0.0007) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: orthorhombic
| a: | 8.0086 (±0.0006) Å |
| b: | 11.8572 (±0.0007) Å |
| c: | 8.5696 (±0.0006) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: orthorhombic
| a: | 8.0123 (±0.0006) Å |
| b: | 11.8567 (±0.0008) Å |
| c: | 8.569 (±0.0006) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: orthorhombic
| a: | 8.016 (±0.0007) Å |
| b: | 11.8573 (±0.0008) Å |
| c: | 8.5676 (±0.0006) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Starting materials: N/A
Product: CH3ND3PbBr3 powder
Description: Samples were prepared following well-described methods [1,2]. In the case of the neutron sample, N-deuterated MAPB was produced by using fully deuterated DBr (MSD Isotopes), and reactor grade (499.8%) D2O (Atomic Energy of Canada Limited—AECL). The D2O was also used to deuterate all exchangeable hydrogens of the precursor chemicals prior to the final synthesis. A fine bright orange precipitate was formed which was filtered and transferred to a desiccating chamber prior to the diffraction measurements.
Comment: Synthesis references: [1] D. Weber, Z. Naturforsch. 33b (1978) 1443–1445. [2] O. Knop, R.E. Wasylishen, M.A. White, T.S. Cameron, M.J.M. Van Oort, Can. J. Chem. 68 (1990) 412–422.
Method: Powder neutron diffraction
Description: C2 diffractometer at Chalk River Laboratories, Chalk River, Ontario. The incident wavelength for Rietveld refinements: 1.32860(3)A˚. Data were collected and refined in two separate banks from 3–83° and 37–117° theta with wire-spacing 0.1° over the temperature range of 11–250K. Each bank was collected for 1 h. Refer to Page 104 Table 4.
Comment: Partially deuterated
See all entries for this property (24 total)
Crystal system: tetragonal
| a: | 8.3073 (±0.0003) Å |
| b: | 11.8995 (±0.0007) Å |
| c: | 8.3073 (±0.0003) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: tetragonal
| a: | 8.3178 (±0.0003) Å |
| b: | 11.8977 (±0.0008) Å |
| c: | 8.3178 (±0.0003) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: tetragonal
| a: | 8.3257 (±0.0003) Å |
| b: | 11.8919 (±0.0008) Å |
| c: | 8.3257 (±0.0003) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: tetragonal
| a: | 8.3341 (±0.0003) Å |
| b: | 11.8822 (±0.0009) Å |
| c: | 8.3341 (±0.0003) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: tetragonal
| a: | 8.3443 (±0.0003) Å |
| b: | 11.8834 (±0.0009) Å |
| c: | 8.3443 (±0.0003) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: tetragonal
| a: | 8.3053 (±0.0003) Å |
| b: | 11.9019 (±0.0007) Å |
| c: | 8.3053 (±0.0003) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Starting materials: N/A
Product: CH3ND3PbBr3 powder
Description: Samples were prepared following well-described methods [1,2]. In the case of the neutron sample, N-deuterated MAPB was produced by using fully deuterated DBr (MSD Isotopes), and reactor grade (499.8%) D2O (Atomic Energy of Canada Limited—AECL). The D2O was also used to deuterate all exchangeable hydrogens of the precursor chemicals prior to the final synthesis. A fine bright orange precipitate was formed which was filtered and transferred to a desiccating chamber prior to the diffraction measurements.
Comment: Synthesis references: [1] D. Weber, Z. Naturforsch. 33b (1978) 1443–1445. [2] O. Knop, R.E. Wasylishen, M.A. White, T.S. Cameron, M.J.M. Van Oort, Can. J. Chem. 68 (1990) 412–422.
Method: Powder neutron diffraction
Description: C2 diffractometer at Chalk River Laboratories, Chalk River, Ontario. The incident wavelength for Rietveld refinements: 1.32860(3)A˚. Data were collected and refined in two separate banks from 3–83 ° and 37–117 ° 2theta with wire-spacing 0.1 ° over the temperature range of 11–250K. Each bank was collected for 1 h. Refer to Page 104 Table 4.
See all entries for this property (24 total)
Crystal system: cubic
| a: | 5.9112 (±0.0005) Å |
| b: | 5.9112 (±0.0005) Å |
| c: | 5.9112 (±0.0005) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: cubic
| a: | 5.9134 (±0.0004) Å |
| b: | 5.9134 (±0.0004) Å |
| c: | 5.9134 (±0.0004) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: cubic
| a: | 5.9146 (±0.0004) Å |
| b: | 5.9146 (±0.0004) Å |
| c: | 5.9146 (±0.0004) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: cubic
| a: | 5.9154 (±0.0004) Å |
| b: | 5.9154 (±0.0004) Å |
| c: | 5.9154 (±0.0004) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Crystal system: cubic
| a: | 5.917 (±0.0004) Å |
| b: | 5.917 (±0.0004) Å |
| c: | 5.917 (±0.0004) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Starting materials: N/A
Product: CH3ND3PbBr3 powder
Description: Samples were prepared following well-described methods [1,2]. In the case of the neutron sample, N-deuterated MAPB was produced by using fully deuterated DBr (MSD Isotopes), and reactor grade (499.8%) D2O (Atomic Energy of Canada Limited—AECL). The D2O was also used to deuterate all exchangeable hydrogens of the precursor chemicals prior to the final synthesis. A fine bright orange precipitate was formed which was filtered and transferred to a desiccating chamber prior to the diffraction measurements.
Comment: Synthesis references: [1] D. Weber, Z. Naturforsch. 33b (1978) 1443–1445. [2] O. Knop, R.E. Wasylishen, M.A. White, T.S. Cameron, M.J.M. Van Oort, Can. J. Chem. 68 (1990) 412–422.
Method: Powder neutron diffraction
Description: C2 diffractometer at Chalk River Laboratories, Chalk River, Ontario. Incident wavelength for Rietveld refinements: 1.32860(3)A˚. Data were collected and refined in two separate banks from 3–83 ° and 37–117 ° 2theta with wire-spacing 0.1 ° over the temperature range of 11–250K. Each bank was collected for 1 h. Refer to Page 104 Table 4.
See all entries for this property (6 total)
| Initial crystal system | orthorhombic |
| Final crystal system | tetragonal |
| Initial space group | Pnma |
| Final space group | I4/mcm |
| Direction | Unknown |
| Phase transition temperature | 146.0 (±3.0) K |
Hysteresis: NIL
| Initial crystal system | tetragonal |
| Final crystal system | tetragonal |
| Initial space group | I4/mcm |
| Final space group | Unknown |
| Direction | Unknown |
| Phase transition temperature | 156.0 (±3.0) K |
Hysteresis: NIL
| Initial crystal system | tetragonal |
| Final crystal system | cubic |
| Initial space group | Unknown |
| Final space group | Pm3m |
| Direction | Unknown |
| Phase transition temperature | 232.0 (±3.0) K |
Hysteresis: NIL
Product: MAPbBr3 Powder
Description: Samples were prepared following well-described methods [1,2].
Comment: Synthesis references: [1] D. Weber, Z. Naturforsch. 33b (1978) 1443–1445. [2] O. Knop, R.E. Wasylishen, M.A. White, T.S. Cameron, M.J.M. Van Oort, Can. J. Chem. 68 (1990) 412–422.
Method: Powder X-ray diffraction
Description: X-ray diffraction measurements were performed from 120K to room temperature on samples mounted in 0.1mm diameter capillaries, mounted in an Enraf-Nonius Guinier-Simon camera, using CuKa_1 radiation. Refer to Page 98 Experimental.