(H3O)3Sb2Br9: the first member of the M3E2X9 structure family with oxonium cations. Issue 12 (7th November 2016)

• Record Type: Journal Article
• Authors: Chang, Jen-Hui; Doert, Thomas; Ruck, Michael
• Is Part Of: Acta crystallographica. Volume 72:Issue 12(2016)
• Page Start: 966
• Page End: 970
• Publication Date: 2016-11-07
• Subjects: defect perovskite structure -- Tl3Bi2I9 structure type -- sphere close AX3 packing -- crystal structure -- oxonium cations -- hydrogen bonding; Crystallography -- Periodicals; Crystals -- Periodicals; 548.3
• DOI: 10.1107/S2053229616017198
• Languages: English
• ISSNs: 2053-2296

Abstract

Abstract : The metastable compound (H3 O)3 Sb2 Br9 is the first Tl3 Bi2 I9 type representative comprising oxonium cations. The crystal structure comprises characteristic 2 ∞ [SbBr3 Br3/2 ] double layers of corner‐sharing SbBr6 octahedra with a [001] stacking direction. Due to the small size of the H3 O + cation and O—H…Br hydrogen bonding, the octahedra are tilted. Abstract : (H3 O)3 Sb2 Br9 [trihydroxonium enneabromidodiantimonate(III)] is the first representative of the M 3 E 2 X 9 family ( M = cation, E = Sb and Bi, and X = Br and I) with oxonium cations. The metastable compound was obtained in trace amounts from a solution of CsBr and SbBr3 in concentrated aqueous HBr. Single crystals were isolated from the mother liquor and investigated by single‐crystal X‐ray diffraction at 100 K. (H3 O)3 Sb2 Br9 crystallizes with the Tl3 Bi2 I9 structure type, which is a distorted defect variant of cubic perovskite. The crystal structure comprises characteristic 2 ∞ [SbBr3 Br3/2 ] double layers of corner‐sharing SbBr6 octahedra with a [001] stacking direction. Due to the small size of the H3 O + cation and O—H…Br hydrogen bonding, the octahedra are tilted.