Hostname: page-component-78c5997874-4rdpn Total loading time: 0 Render date: 2024-11-13T12:53:18.978Z Has data issue: false hasContentIssue false
  • English
  • Français

Crystallographic studies of BaR2ZnO5 (R=La, Nd, Dy, Ho, Er, and Y)

Published online by Cambridge University Press:  10 January 2013

Winnie Wong-Ng ,
Brian Toby  and
William Greenwood
Winnie Wong-Ng
Affiliation:
Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899
Brian Toby
Affiliation:
Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899
William Greenwood
Affiliation:
Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899
Get access Rights & Permissions [Opens in a new window]

Abstract

The crystal structures of BaR2ZnO5, where R=La, Nd, Dy, Ho, and Y, were studied by neutron diffraction, and that of the Er analog was investigated by synchrotron X-ray diffraction. Two structure types were confirmed for this series of compounds and agreed with those reported in literature. The compounds with a smaller size of R (R=Dy, Ho, Y, and Er) are isostructural to the orthorhombic “green phase (BaY2CuO5)” compounds. The cell parameters for compounds with the R=Er to Dy range from a=7.0472(1) Å to 7.0944(1) Å, b=12.3022(1) Å to 12.3885(2) Å, and c=5.6958(1) Å to 5.7314(1) Å, respectively. R is 7-fold coordinated inside a monocapped trigonal prism. These prisms share edges to form wavelike chains parallel to the long b-axis. The Ba atoms reside in 11-fold coordinated cages. The compounds which contain a larger size R (R=La and Nd) crystallize in the tetragonal I4/mcm space group, but are not isostructural to the “brown phases” BaR2CuO5. The lattice parameters for the La and Nd analogs are a=6.9118(1) Å, c=11.6002(2) Å for BaLa2ZnO5, and a=6.7608(1) Å and c=11.5442(2) Å for BaLa2ZnO5. The structure consists of ZnO4 tetrahedral groups (instead of planar CuO4 groups as found in the brown phase) with Ba ions inserted in between. The structure can be viewed as consisting of alternate layers of Zn-Ba-O and Nd-O extending infinitely in the xy plane and perpendicular to the z-axis.

Type
Research Article
Information
Powder Diffraction , Volume 13 , Issue 3 , September 1998 , pp. 144 - 151
Copyright
Copyright © Cambridge University Press 1998

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Bednorz, J. G.and Muller, K. A. (1986). “Possible High-Tc Superconductivity in the Ba–La–Cu–O System,” Z. Phys. B 64, 189–193.CrossRefGoogle Scholar
Bonamico, M., Mazzone, G., Vaciago, A., and Zambonelli, L. (1965). “Structural studies of metal dithiocarbamates. II. The Crystal and molecular structure of zinc diethylduthiocarbamate,” Acta Crystallogr. 19, 898–909.CrossRefGoogle Scholar
Brese, N. E., and O’Keeffe, M. (1991). “Bond-valence parameters for solids,” Acta Crystallogr., Sect. B: Struct. Sci. B 47, 192.CrossRefGoogle Scholar
Brown, I. D., and Altermatt, D. (1985). “Bond-valence parameters obtained from a systematic analysis of the inorganic crystal structure database,” Acta Crystallogr., Sect. B: Struct. Sci. 41, 244–247.CrossRefGoogle Scholar
Cieplak, M. Z., Xiao, G., Chien, C. L., Bakhshai, A., Artymowicz, D., Bryden, W., Stalick, J. K., and Rhyne, J. J. (1990). “Incorporation of gold into YBa 2Cu 3O 7: Structure and T c enhancement,” Phys. Rev. B 42, 6200.CrossRefGoogle ScholarPubMed
Hall, D., and Moore, F. H. (1966). “The crystal structure of NN ′-disalicylidene-ethylenediaminezinc(II) monohydrate,” J. Chem. Soc. A, 1811–1824.Google Scholar
Hazen, R. M., Finger, L. W., Angel, R. A., Prewitt, C. T., Ross, N. L., Mao, H. K., and Hadidiacos, C. G. (1987). “Crystallographic description of phases in the Y-Ba-Cu-O superconductor,” Phys. Rev. B 35, 7238–7241.CrossRefGoogle ScholarPubMed
International Tables for X-ray Crystallography (1985). Edited by J. S. Kisper and K. Lonsdale, published for the International Union of Crystallography (D. Reidel, Holland), pp. 295–298.Google Scholar
Larson, A. C., and von Dreele, R. B. (1992). “GSAS-General Structure Analysis system,” US Government contract (W-7405-ENG-36) by the Los Alamos National laboratory, which is operated by the University of California for the U.S. Department of Energy.Google Scholar
Le Page, Y., Siegrist, T., Sunshine, S. A., Schneemeyer, L. T., Murphy, D. W., Zahurak, S. M., Waszczak, J. V., McKinnon, W. R., Tatascon, J. M., Hull, G. W., and Green, L. H. (1987). “Structure properties of Ba 2RCu 3O 7 superconductors,” Phys. Rev. B 36, 3617–3621.CrossRefGoogle Scholar
Miceli, P. F., Tarascon, J. M., Greene, L. H., Barboux, P., Rotella, F. J., and Jorgensen, J. D. (1988). “Role of bond lengths in the 90-K superconductor: A neutron powder-diffraction study of YBa 2Cu 3−xCo xO 7−y,”Phys. Rev. B 37, 5932.CrossRefGoogle Scholar
Michel, C., Er-Rakho, L., and Raveau, B. (1981). “Les Oxydes La 4−2xBa 2+2xCu 2−xO 10−2x. Une Structure Inedite Constituee de Groupements CuO 4 Carres Plans Isoles,” J. Solid State Chem. 39, 161–167.CrossRefGoogle Scholar
Michel, C., Er-Rakho, L., and Raveau, B. (1982a). “Une Nouvelle Famille Structurale: Les Oxydes Ln 4−2xBa 2+2xZn 2−xO 10−2x (Ln=La, Nd),”J. Solid State Chem. 42, 176–182.CrossRefGoogle Scholar
Michel, C., and Raveau, B. (1982b). “Les Oxydes A 2BaCuO 5 (A=T, Sm, Eu, Gd, Dy, Ho, Er, Yb),” J. Solid State Chem. 43, 73–80.CrossRefGoogle Scholar
Michel, C., and Raveau, B. (1983). “Ln 2BaZnO 5 and Ln 2BaZn 1−xCu xO 5: A series of zinc oxides with zinc in a pyramidal coordination,” J. Solid State Chem. 49, 150–156.CrossRefGoogle Scholar
Michel, C., and Raveau, B. (1984). “Copper doped zinc oxide Y 2BaZnO 5: ESR and optical investigation,” Mater. Res. Bull. 19, 849–855.CrossRefGoogle Scholar
Müller-Buschbaum, Hk., and Sonne, P. (1990). “BaZnNd 2O 5: Eine Neue Struktur Bei Oxometallaten BaMLn 2O 5,”J. Less-Common Met. 167, 193–198.CrossRefGoogle Scholar
PDF, Powder Diffraction File, produced by ICDD, Newtown Square, 12 Campus Blvd., Newtown Square, PA, 19073-3273.Google Scholar
Rietveld, H. M. (1969). “A profile refinement method for nuclear and magnetic structures,” J. Cryst. Growth 2, 65–71.Google Scholar
Shannon, R. D., and Prewitt, C. T. (1969). “Effective ionic radii in oxides and fluorides,” Acta Crystallogr. 25, 925–946.CrossRefGoogle Scholar
Shannon, R. D. (1976). “Revised effective ionic radii and systematic studies of interatomic distances inhalides and chalcogenides,” Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. 32, 751–767.CrossRefGoogle Scholar
Stalick, J., and Wong-Ng, W. (1990) “Neutron diffraction study of the ‘brown phase’ BaNd 2CuO 5,”Mater. Lett. 9, 401.CrossRefGoogle Scholar
Taibi, M., Aride, J., Darriet, J., Moqine, A., and Boukhari, A. (1990). “Structure cristalline de l’oxyde Nd 2BaZnO 5,”J. Solid State Chem. 86, 233–237.CrossRefGoogle Scholar
Watkins, S. F., Fronczek, F. R., Wheelock, K. S., Goodrich, R. G., Hamilton, W. O., and Johnson, W. W. (1988). “The crystal structure of Y 2BaCuO 5,”Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 44, 3–6.Google Scholar
Wong-Ng, W., and Paretzkin, B. (1991). “Crystal chemistry and phase equilibria studies of the BaO-R 2O 3-CuO systems. II. X-ray characterization and standard patterns of BaR 2CuO 4, R=Lanthanides,”Powder Diffr. 6, 187.CrossRefGoogle Scholar
Wong-Ng, W., Kuchinskin, M., Paretzkin, B., and McMurdie, H. F. (1989). “Crystal chemistry and phase equilibrium studies of BaO-1/2R 2O 3-CuO. I. X-ray powder characterization of BaR 2CuO 5 and related compounds,”Powder Diffr. 4, 2.CrossRefGoogle Scholar
Wong-Ng, W., Paretzkin, B., and Fuller, E. (1990a). “Crystal chemistry and phase equilibria studies of the BaO-R 2O 3-CuO systems. IV. Sub-solidus phase relationships near the CuO-rich regions,” J. Solid State Chem. 84, 117.CrossRefGoogle Scholar
Wong-Ng, W., and Paretzkin, B. (1990b). “Crystal chemistry and phase equilibria studies of the BaO-R 2O 3-CuO systems,” Adv. X-Ray Anal. 33, 453.Google Scholar
Wong-Ng, W., Kaiser, D., Gale, F., Watkins, S. F., and Fronczek, F. (1990c). “X-ray crystallographic studies of a thermomechanically detwinned single crystal of Ba 2YCu 3O 6+x,”Phys. Rev. B 41, 4220.CrossRefGoogle Scholar
Wyckoff, R. G. W. (1963). Crystal Structures. Vol. 1 (Wiley, New York), p. 86.Google Scholar
Wyckoff, R. W. G. (1964). Miscellaneous Inorganic Compounds. Solids and Basic Structural Information, Vol. 4 (Wiley, New York), p. 528.Google Scholar
Wyckoff, R. W. G. (1968). Inorganic Compounds. RX n, R nMX 2, R nMX 2, Vol. 2 (Wiley, New York), p. 41.Google Scholar
Xiao, G., Streita, F. H., Gavrin, A., Du, Y. W., and Chien, C. L. (1987). “Effect of transition-metal elements on the superconductivity of Y-Ba-Cu-O,” Phys. Rev. B 35,8782.CrossRefGoogle ScholarPubMed