Premium
Synthesis and Crystal Structures of InGaO 3 (ZnO) m ( m = 2 and 3)
Author(s) -
Keller Isabelle,
Assenmacher Wilfried,
Schnakenburg Gregor,
Mader Werner
Publication year - 2009
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.200900199
Subject(s) - wurtzite crystal structure , crystallography , crystal structure , stacking , octahedron , materials science , space group , crystal twinning , tetragonal crystal system , valence (chemistry) , valence electron , single crystal , hexagonal crystal system , x ray crystallography , diffraction , chemistry , electron , physics , microstructure , optics , organic chemistry , quantum mechanics
An optimized high temperature route in sealed platinum tubes was used for synthesis of pure powders of members of the homologues series InGaO 3 (ZnO) m . Single crystals of InGaO 3 (ZnO) 2 were grown from a K 2 MoO 4 flux. InGaO 3 (ZnO) 2 crystallises in the hexagonal crystal system ( P 6 3 /mmc ; No. 194), deduced from convergent beam electron diffraction (CBED). Single crystal structure refinement from XRD data ( a = 3.2909(2) Å; c = 22.485(2) Å; Z = 2; 1603 data, R 1 = 0.0237) revealed a compound which consists of an alternate stacking of [InO {}^‐_6/3 ] {}^\infty_2 and [(Ga,Zn)O {}^+_4/4 ] {}^\infty_3 corresponding to CdI 2 and wurtzite type structure motifs, respectively. Inversions of the ZnO 4 tetrahedra occurs (i) at the InO 6 octahedral layer and (ii) halfway in the wurtzite type region where the inversion boundary is built by Ga 3+ in trigonal bipyramidal coordination with a long Ga–O apical distance of 2.138 Å. The site occupation of Zn 2+ and Ga 3+ , respectively, was confirmed by valence sum calculations. The structure of InGaO 3 (ZnO) 3 was refined from powder X‐ray diffraction data. InGaO 3 (ZnO) 3 crystallises trigonal ( R \bar{3} m ; No. 166; a = 3.2871(9) Å; c = 41.589(1) Å, R Bragg = 0.0506). The space group was confirmed by CBED. The structure of InGaO 3 (ZnO) 3 is similar to InGaO 3 (ZnO) 2 , however, the wurtzite type part of the structure has an even number of closed packed oxygen layers and thus the inversion boundary within this area is different. The compounds described here have the structural charactistics as other known members of general formula (ARO 3 )·(ZnO) m with m = integer.