Y. Kawamura, H. Mashiyama, and K. Hasebe, Structural Study on Cubic–Tetragonal Transition of CH3NH3PbI3, Journal of the Physical Society of Japan 71, 1694‑1697 (2002). doi: 10.1143/JPSJ.71.1694.
Methylammonium lead iodide: atomic structure Verified

See all entries for this property (35 total)

Origin: experimental (T = 220.0 K)
Space group: I 4/m c m
Lattice parameters

Crystal system: tetragonal

a:8.8 (±0.009) Å
b:8.8 (±0.009) Å
c:12.685 (±0.007) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 220.0 K
Y. Kawamura, H. Mashiyama, and K. Hasebe, Structural Study on Cubic–Tetragonal Transition of CH3NH3PbI3, Journal of the Physical Society of Japan 71, 1694‑1697 (2002). doi: 10.1143/JPSJ.71.1694.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: CH3NH3PbI3, lead (II) acetate, CH3NH3+ (by adding a 40% solution of CH3NH2 in water), concentrated HI

Product: Black and opaque MAPbI3 Single crystal

Description: CH3NH3PbI3 was synthesized from lead (II) acetate and CH3NH3+ (by adding a 40% solution of CH3NH2 in water) dissolved in concentrated HI solution. Cool aqueous solution from l00°C to not lower than 40°C to obtain a black crystal. Crystals of about 1 cm in dimension were obtained. Synthesis using reference [2].

Comment: Synthesis references: [1] K. Gesi: Ferroelectrics 203 (1997) 249. [2] A. Poglitsch and D. Weber, J. Chem. Phys., 1987, 87, 6373–6378. Atomic positions: Table II

Method: Single crystal X-ray diffraction

Description: Spherical samples were cut and polished into 0.3mm in diameter, among which a single crystal was selected and was mounted on an off-centered 4-circle diffractometer (HUBER 424) controlled by MXC (Mac Science). Graphite-monochromated Mo K\alpha radiation was used from a rotating anode generator with 50 kV–250 mA. Refer to Page 1695 Table I (Params); Page 1696 Table II (Apos).

Extraction method: Manual entry
Entry added on: April 8, 2019, 9:55 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: Aug. 31, 2022, 1:18 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 174 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.