Methylammonium lead bromide(3-x) iodide(x): x=0.93

Chemical Formula: CH6NPbBr2.07I0.93
IUPAC: methanaminium lead (II) bromide iodide
Alternate Names: Methanaminium tri(bromoiodo)plumbate(II), MAPbBr2.07I0.93, (MA)PbBr2.07I0.93, (CH3NH3)PbBr2.07I0.93
Organic: CH6N
Inorganic: PbBr2.07I0.93
Dimensionality: 0D
Formal Stoichiometry: C : 1 , H : 6 , N : 1 , Pb : 1 , Br : 2.07 , I : 0.93
Atomic structure
Method: Powder X-ray Diffraction
Origin: experimental (T = 293.0 K)
Lattice parameters

Crystal system: cubic

a:6.03 Å
b:6.03 Å
c:6.03 Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 293.0 K
D. Weber, CH3NH3PbX3, a Pb(II)-System with Cubic Perovskite Structure, Zeitschrift fuer Naturforschung 33b, 1443‑1445 (1978). doi: 10.1515/znb-1978-1214.
System description
Dimensionality: 0D
Sample type: powder

Starting materials: Presumably (by analogy with MAPbBr3 synthesis description in same reference): 40% aqueous CH3NH2 solution; concentrated HI(aq) and HBr(aq); Pb(NO3)2 (aq; 0.021 molar)

Product: red-violet crystals

Description: Adapted from synthesis description of CH3NH3PbBr3 as indicated by the author. Neutralize 20g of 40% aq. CH3NH2 solution with concentrated aq. HI and concentrated aq. HBr. At 100 deg. C, add aq. (0.021 mol) solution of Pb(NO3)2 by slow dripping while stirring vigorously. Crystals begin to form while stirring. Solution is filtrated after cooling to room temperature. The crystals are washed with n-butanol and subsequently benzene and are finally dried in vacuum. Nominal stoichiometry: C 2.30 wt.% H 1.16 wt.% N 2.68 wt.% Pb(II) 39.64 wt.% Br 31.65 wt.% I 22.58 wt.% Actual stoichiometry: C n/a wt.% H n/a wt.% N n/a wt.% Pb(II) 39.5 wt.% Br 31.9 wt.% I 22.7 wt.%

Method: Powder X-ray diffraction (PXRD)

Description: X-ray powder diagrams collected with a Debye-Scherrer camera using Cu K-alpha radiation (wave length 1.54178 Angstrom).

Comment: Miss Leonhardt recorded the PXRD diagrams.

D. Weber, CH3NH3PbX3, a Pb(II)-System with Cubic Perovskite Structure, Zeitschrift fuer Naturforschung 33b, 1443‑1445 (1978). doi: 10.1515/znb-1978-1214.

Extraction method: Manual from article
Entry added on: May 19, 2023, 5:10 p.m.
Entry added by: Kelly Ma
Last updated on: May 19, 2023, 5:10 p.m.
Last updated by: Kelly Ma

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Atomic coordinates



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