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Hexagonal Double Perovskite Cs 2 AgCrCl 6
Author(s) -
Zhou Yuqiao,
Askar Abdelrahman M.,
Pöhls JanHendrik,
Iyer Abishek K.,
Oliynyk Anton O.,
Shankar Karthik,
Mar Arthur
Publication year - 2019
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201800351
Subject(s) - octahedron , crystallography , perovskite (structure) , halide , hexagonal crystal system , ion , paramagnetism , crystal structure , materials science , group (periodic table) , chemistry , inorganic chemistry , condensed matter physics , physics , organic chemistry
The quaternary halide Cs 2 AgCrCl 6 was prepared in the form of dark purple crystals by reaction of CsCl, AgCl, and CrCl 3 , at 700 °C. It crystallizes in the trigonal Ba 2 NiTeO 6 ‐type structure [space group R 3 m, Z = 6, a = 7.2692(4) Å, c = 36.443(2) Å] belonging to the family of perovskite polytypes containing sequences of hexagonal close‐packed layers. Groups of three face‐sharing octahedra, which are occupied in the sequence Ag–Cr–Ag, are connected through corner‐sharing by Cr‐centered octahedra. The UV/Vis/NIR diffuse reflectance spectrum shows absorptions arising from d–d transitions typical of octahedral Cr 3+ complexes, as confirmed by electronic structure calculations. The compound melts at 506 °C. Magnetic measurements revealed simple paramagnetic behavior consistent with the presence of isolated Cr 3+ ions.