Synthesis, Crystal Structure and Charge Distribution of InGaZnO4. X-ray Diffraction Study of 20kb Single Crystal and 50kb Twin by Reticular Merohedry

Abstract

Cryst. Res. Technol. 352000 2 151-165Synthesis of InGaZnO 4 at 20Kb and 50Kb produced a single crystal and a twinned crystal respectively. The X-ray diffraction crystal structure refinement (R1 = 0.015 and 0.019 respectively) and the Charge Distribution analysis are reported. Space group is  R3m; cell parameters in hexagonal axes are a = 3.2990 (2)Å, c = 26.1013(25)Å (20kb single crystal) and a = 3.3051(2)Å, c = 26.1029(19)Å (50kb twinned crystal). The cell volume is 246.01(3)Å 3 and 246.94(3)Å 3 respectively. The In is in regular octahedral coordination, whereas Ga/Zn are in trigonal bipyramid co-ordination. Charge Distribution on cations (2.94 and 2.95 respectively vs. 3.0 for In, and 2.53 vs. 2.5 for Ga/Zn) shows that the structure is well refined. Charge Distribution on oxygens (-1.96 and -2.04 for O1 and O2, vs. -2.0) excludes the presence of valence unbalance effects. A possible structural role of the trigonal bipyramidal coordination is discussed.

Characterization of reactively sputtered c-axis aligned nanocrystalline InGaZnO4

“…These lattice planes correspond to the alternating layers of indium oxide and gallium/zinc oxide shown in the CAAC unit cell (d). 16 The reduced peak height of the weakly aligned film is consistent with increasing breadth in v scans. The weak peak at 66 is a substrate artifact.…”

Synthesis and Crystal Structures of InGaO3(ZnO)m (m = 2 and 3)

“…In the present contribution, we report about the synthesis and structural characterisation of compounds in the ZnOIn 2 O 3 -Ga 2 O 3 system. The compound InGaO 3 (ZnO) 2 could be obtained as single crystals, and to our knowledge it is the second single crystal study of such homologous compounds apart of LuFeO 3 (ZnO) m (m = 1, 4 -6) reported by Isobe et al [16,17]. In our study we were even able to locate the cation sites in the wurtzite block by X-ray diffraction and bond valence calculations.…”

Crystal structure and Charge Distribution of ErFeMnO4

“…The binary R 2 O 3 ±MO and ternary R 2 O 3 ±A 2 O 3 ±MO or R 2 O 3 ±TiO 2 ±MO systems (R = In, Ga or a rare earth element; A = In, Ga, Fe, Al; M = Mg, Mn, Fe, Co, Cu, Zn, Cd) have been investigated to clarify the synthesis conditions, phase relations, and stabilities and magnetic properties (Kimizuka et al, , 1995Siratori, 1993;Iida et al, 1990;Nakamura et al, 1990Nakamura et al, , 1993aYamaguchi et al, 1991;Brown et al, 1999). Structural studies have considered both the local structure, through high-resolution transmission electron microscopy (HRTEM) and/or electron diffraction (Matsui et al, 1979;Matsui, 1980;Cannard & Tilley, 1988;Uchida et al, 1994;Ho È rlin et al, 1998;Li et al, 1997Li et al, , 1998Li et al, , 1999aLi, Bando, Nakamura, Kurashima & Kimizuka, 1999;Wolf & Mader, 1999), and the global one, through powder (Cannard & Tilley, 1988;Cava et al, 1998;Moriga et al, 1999) and single-crystal X-ray diffraction (Geller et al, 1975;Kato et al, 1975Kato et al, , 1976Malaman et al, 1975Malaman et al, , 1976Isobe et al, 1990Isobe et al, , 1991Isobe et al, , 1994Nespolo, Nakamura & Ohashi, 2000;Nespolo, Sato et al, 2000).…”

“…Type I has the three basal MÐO bonds shorter than the two apical ones: the cation is still relatively close to the basal plane, and the bipyramid is not much distorted. Type II has the cation signi®cantly off-centred from the basal plane, towards one of the corners: one of the apical bonds is shorter and the other is longer than the three basal ones (Nespolo, Sato et al, 2000).…”