Refinement of the crystal structure of gibbsite, Al(OH)₃

In situ X-ray Diffraction Investigation of the Formation Mechanisms of Silico-Ferrite of Calcium and Aluminium-I-type (SFCA-I-type) Complex Calcium Ferrites

“…Maslen et al, 18) Saalfeld and Wedde, 19) Lager et al, 20) Oftedal, 21) Bersetegui et al, 22) Decker and Kasper, 23) Arakcheeva and Karpinskii, 24) Mumme et al 11) and Hamilton 25) was used for Fe2O3, CaCO3, Al(OH)3, SiO2, CaO, C2(F1-xAx), CF, γ-CFF, SFCA-I and Fe3O4, respectively. Corrections to account for sample displacement errors and to scale peak intensities in the asymmetrical diffraction geometry were incorporated into the TOPAS refinement algorithm.…”

Structure and stability of aluminium trihydroxides bayerite and gibbsite: A quantum mechanical ab initio study with the Crystal06 code

“…Table 1 reports the main structural features of both systems. The most accurate experimental determinations are due to Zigan et al [38] for B (neutron diffraction on deuterated powder samples at room temperature and 4 K) and to Saalfeld and Wedde [39] for G (X-ray diffraction, single crystal). In the former, H atom positions are determined with high accuracy, whereas in the latter, due to the well known XRD problems in locating the H atoms, O-H distances much shorter than the usual ones are observed.…”

Effects of Gibbsite, Kaolinite and Al-rich Goethite as Alumina Sources on Silico-Ferrite of Calcium and Aluminium (SFCA) and SFCA-I Iron Ore Sinter Bonding Phase Formation

“…31) The crystal structure data of 2,[32][33][34][35][36][37][38][39][40][41][42][43][44][45][46] were used for Fe 2 O 3 , CaCO 3 , Al(OH) 3 , α-SiO 2 , Al 2 Si 2 O 5 (OH) 4 , FeOOH, β-SiO 2 , CaO, C 2 F, Ca 2 Al 2 SiO 7 , CF, CFA, γ-CFF, SFCA-I, SFCA and Fe 3 O 4 , respectively. The use of the QPA algorithm embodied in TOPAS returns relative, rather than absolute, concentrations for crystalline phases in a system if amorphous material, including melt phases, are present.…”