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CH 3 NH 3 PbI 3 : precise structural consequences of water absorption at ambient conditions
Author(s) -
Arakcheeva Alla,
Chernyshov Dmitry,
Spina Massimo,
Forró László,
Horváth Endre
Publication year - 2016
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520616010428
Subject(s) - absorption (acoustics) , materials science , analytical chemistry (journal) , environmental chemistry , chemistry , composite material
The crystal structure of the pristine (I) and aged (II) crystals of CH 3 NH 3 PbI 3 (hereafter MAPbI 3 ) hybrid organic–inorganic lead iodide has been studied at 293 K with high‐precision single‐crystal X‐ray diffraction using a synchrotron light source. We show that (I) and (II) are characterized by an identical tetragonal unit cell but different space groups: I 422 for (I) and P 4 2 2 1 2 for (II). Both space groups are subgroups of I 4/ mcm , which is widely used for MAPbI 3 . The main difference between (I) and (II) comes from the difference in hydrogen bonds between the MA + cation and the PbI 3 framework which is the direct consequence of H 2 O insertion in the aged crystal (II).