1. Precise Determination of BaAl2O4 Cell and Certification of the Formation of Iron Bearing Solid Solution. By Hiroshi UCHIKAWA and Koichi TSUKIYAMA (
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1 1. Precise Determination of BaAl2O4 Cell and Certification of the Formation of Iron Bearing Solid Solution. By Hiroshi UCHIKAWA and Koichi TSUKIYAMA (Central Research Laboratory, Onoda Cement Co., Ltd., Tokyo) Precise determination of BaAl2O4 cell and certification of the formation of the solid solution with Fe2O3 were performed mainly by means of X-ray studies. The lattice constant of the hexagonal BaAl2O4 crystal was determined as a=6.224 ð and c=8.777 ð. This result showed the good conincidence of calculated densities (Dcal g/cm3) with observed value (Dobs.=4.004g/cm3). By the comparison of calculated X-ray intensities with observed ones the suitable atomic co-ordinate of Al3+ along z direction and that of O2- along x or y direction were determined as and 0.647, respectively. Al O4 in BaAl2O4 forms distored tetrahedron with covalent bonding, while Ba--O and O-O bonds are ionic. Fe3+ substitutes preferentially for Al3+ in BaAl2O4 with the expansion of cell, but excess addition of Fe2O3 brings the contraction of c direction, which is presumed to be caused by the partial transformation of the co-ordination of Fe3+ from FeO4 to FeO6. [Recieved April 21, 1965]
2 14 J. Ceram. Assoc. Japan, 14 [1] 1966 H. UCHIKAWA et. al. 16 Table 1. Chemical composition and specific gravity of BaAl2O4. 2ƒÆCuK ƒ Fig. 1. Pawder X-ray diffraction pattern of BaAl2O4 Table 2. Conditions of X-ray diffraction Table 3. Observed and calculated reciprocal interplaner spacings, observed in tensities and the determined index of BaAl2O4
3 A, Westgxen gf cm3 3) BaA12 g
4 16 J. Ceram. Assoc. Japan, 74 [1] 1966 H. UCHTKAWA et. al. 18 Table 5. Comparison of calculated structure factors and intensities of BaAl2O4 with observed intensities Fig. 2. Electron density distribution diagram of BaAl2O4 obtained by using the W. Nowachi's co-ordinate Fig. 3. Packing diagram of BaAl2O4
5 Table 6. Structural data of BaAl2o4. Crystal Hexagonal Lattice a=5.224 ð Space system constants group c=8.777 ð Table 7. Interatomic dis tances of various ions in BaAl2O4 a) Al-O bonds. in ð D66-P 6322 Density Dcal=4.087g/cm3 Dobs=4,004g/cm3 Numbers of molecules in Atomic co-ordinates unit cell Z=2 Mean value of tetrahedral Al -O bonds is ð b) O-O bonds, in ð c) BaO-O bonds, in ð
6 18 J Ceram. Assoc. Japan, 74 [1] 1966 Table 8. Interplaner spacing of iron bearing solid solutions H. UCHIKAWA et. al. 20 Table 9. Change of lattice constants by the formation of solid solution with Fe2O3 Fig. 4. Relation between observed relative intensity and the quantity of added Fe2O3.
7 Fig. 5. Relation between the calculated relative intensity and the quantity of added Fe2O3
8 20 J. Ceram, Assoc. Japan, 74 [1] 1966 H. TANAKA et. al. 22 3) S. Wallmark, A. Westgren, Ark. Aemi. Min. Ge ol., 35, 1213 (1937). 4) W. Nowachi, Naturwissenschaften, 30, 471 (1941). 5) K. P. Klng, L. E. Alexander, X-ray Diffraction Procedures, p nd Ed., John Wiley & Sons Inc. New York, (1959). 6) K. E. Ben, F. J. Musil, Acta Cryst., 15, 1292 (1962). 7) L. Pauling, The Nature of the Chemical Bond, p rd Ed, Cornell Univ. Press, New York, (1960). 8) J. V. Smith, Acta Cryst., 1, 479 (1954). 9) H. D. Megaw, C. J. E. Kempster, E. W. Radoslovichi. Acta Cryst., 16, 1005 (1962). 10) J. V. Smith, S. W. Barley, Acta Cryst., 16, 801 (1963). 11) R. Hoppe, B. Schepers, Naturwissenschaften, 47, 376 (1960).
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