TY - JOUR
T1 - Structural analysis of molten Ag2SO4
AU - Morikawa, Hideki
AU - Miyake, Michihiro
AU - Okada, Kiyoshi
AU - Ohno, Hideo
AU - Furukawa, Kazuo
N1 - Funding Information:
The S-0 distancein the molten state is 1.43 A.(2) An intra-unit arrangement of molten Ag2S04 is proposed. One of the two Agatoms occupies the corner-sharing site with an Ag-0 distance of 2.25 A and the otherthe edge-sharing site with an Ag-0 distance of 2.68A. The calculated reducedintensity curve of this model gave a good agreement with the observed one beyondvalues of s 2 4.5 A-?(3) The most likely model of long-range arrangement is similar to the CaF,structure where Ca and F are replaced by SO4 and Ag, respectively. There are 18units at an average inter-unit distance of 6.2 A.(4) An intra-unit arrangement of molten Na2S04 is proposed. Three-quartersof the Na atoms occupy corner-sharing sites with an Na-0 distance of 2.31 andthe rest face-sharing sites with an Na-0 distance of 3.03 A.(5) The most likely model for the long-range arrangement of molten Na2S04 issimilar to that of molten Ag,S04.We thank Prof. S. Iwai of the Tokyo Institute of Technology for useful discussions.The computations were carried out on an M-180 computer at the Computer Centre ofthe Tokyo Institute of Technology. Part of the cost of this work was defrayed by aresearch grant from The Japanese Ministry of EducationMORIKAWA, MIYAKE, OKADA, OHNO A N D FURUKAWA 1195J. Zarzycki, Disc. Faraday Soc., 1961,32,38.H. Ohno and K. Furukawa, J.C.S. Faraday I, 1978,74, 795.M. Miyake, K. Okada, S. Iwai, H. Ohno and K. Furukawa, J.C.S. Faraday I, 1979,75,1169.K. Okada, M. Miyake, S. Iwai, H. Ohno and K. Furukawa, J.C.S. Faraduy 11, 1978,74,1141.B. N. Mehrotra, W. Eysel and T. Hahn, Acta Cryst., 1977, B33, 305.A. J. V. D. Berg and F. Tuinstra, Acta Cryst., 1978, B34, 3177.H. A. Levy, M. D. Danford and A. H. Narten, ORNL3960,1966.J. Krogh-Moe, Acta Cryst., 1956,9,951.N. Norman, Acta Cryst., 1957, 10, 370.F. Hajdu, Acta Cryst., 1972, A28,250.lo International Tables for X-ray CrystaZZography (Kynoch Press, Birmingham, 1974), vol. 4, p. 99.l2 W. H. Baur, Truns. Amer. Cryst. ASSUC., 1970, 6, 129.l 3 A. G. Nord, Acta Chem. Scand., 1973,27,814.l4 J. A. McGinnety, Acta Cryst., 1972, B28, 2845.l5 H. Morikawa, I. Minato, T. Tomita and S. Iwai, Actu Cryst., 1975, B31, 2164.l6 M. Miyake, I. Minato, H. Morikawa and S . Iwai, Amer. Mineral., 1978, 63, 506.l7 R. E. Hester and K. Krishnan, J. Chem. Phys., 1968,49,4356.(PAPER 91033
PY - 1980
Y1 - 1980
N2 - The structure of molten Ag2SO4 has been investigated by the radial distribution function based on X-ray scattered intensity data collected at ≈ 720°C and has been analysed by the correlation method. The SO4 tetrahedron is proved to exist in the molten state. The most likely model within an Ag2SO4 unit is that one of the two Ag atoms occupies the corner-sharing site with an average Ag-O distance of 2.25 Å and the other occupies the edge-sharing site with an average Ag-O distance of 2.68 Å. The most likely model for the long-range arrangement within 10 Å is similar to CaF2-type packing where Ca and F are replaced by SO4 and Ag, respectively. One Ag2SO4 unit is surrounded by ≈ 18 Ag2SO4 units with an average inter-unit distance of 6.2 Å.
AB - The structure of molten Ag2SO4 has been investigated by the radial distribution function based on X-ray scattered intensity data collected at ≈ 720°C and has been analysed by the correlation method. The SO4 tetrahedron is proved to exist in the molten state. The most likely model within an Ag2SO4 unit is that one of the two Ag atoms occupies the corner-sharing site with an average Ag-O distance of 2.25 Å and the other occupies the edge-sharing site with an average Ag-O distance of 2.68 Å. The most likely model for the long-range arrangement within 10 Å is similar to CaF2-type packing where Ca and F are replaced by SO4 and Ag, respectively. One Ag2SO4 unit is surrounded by ≈ 18 Ag2SO4 units with an average inter-unit distance of 6.2 Å.
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U2 - 10.1039/F19807601185
DO - 10.1039/F19807601185
M3 - Article
AN - SCOPUS:37049093620
SN - 0300-9599
VL - 76
SP - 1185
EP - 1195
JO - Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases
JF - Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases
ER -