A new quaternary layered carbide, (ZrC)3[Al3.56Si0.44]C3, has been synthesized and characterized by x-ray powder diffraction and thermopower and electrical conductivity measurements. The crystal structure was successfully determined using direct methods and further refined by the Rietveld method. The crystal is trigonal (space group R3m*, Z = 3) with lattice dimensions a = 0.331389(7), c = 4.90084(7) nm, and V = 0.46610(1) nm3. The final reliability indices calculated from the Rietveld refinement were Rwp = 9.53% (S = 1.70), Rp = 7.22%, RB = 1.81%, and RF = 0.94%. The crystal structure is composed of the NaCl-type [Zr3C4] slabs separated by the Al4C3-type [Al0.89Si0.11C] layers. This material had thermoelectric properties comparable to the layered carbides (ZrC)2[Al3.56Si0.44]C3 (Zr2[Al3.56Si0.44]C5), (ZrC)2Al3C2, and (ZrC)3Al3C2 in the temperature range of 373–1273 K, with the maximal power-factor value of 6.6 × 10−5 W m−1K−2 at 545 K. The two quaternary carbides have been found to form a homologous series with the general formula of (ZrC)n[Al3.56Si0.44]C3 (n = 2 and 3).
This is a preview of subscription content, access via your institution.
We’re sorry, something doesn't seem to be working properly.
Please try refreshing the page. If that doesn't work, please contact support so we can address the problem.
J.C. Schuster H. Nowotny: Investigations of the ternary systems (Zr, Hf, Nb, Ta)–Al–C and studies on complex carbides. Z. Metallkd. 71, 341 1980
Th.M. Gesing W. Jeitschko: The crystal structure of Zr3Al3C5, ScAl3C3, and UAl3C3 and their relation to the structure of U2Al3C4 and Al4C3. J. Solid State Chem. 140, 396 1998
K. Fukuda, S. Mori S. Hashimoto: Crystal structure of Zr2Al3C4. J. Am. Ceram. Soc. 88, 3528 2005
B.L. Kidwell, L.L. Oden R.A. McCune: 2Al4C3·SiC: A new intermediate phase in the Al–Si–C system. J. Appl. Crystallogr. 17, 481 1984
K. Fukuda, M. Hisamura, T. Iwata, N. Tera K. Sato: Synthesis, crystal structure and thermoelectric properties of a new carbide Zr2[Al3.56Si0.44]C5. J. Solid State Chem. 180, 1809 2007
L.D. Hicks M.S. Dresselhaus: Effect of quantum-well structures on the thermoelectric figure of merit. Phys. Rev. B 47, 12727 1993
L.D. Hicks M.S. Dresselhaus: Thermoelectric figure of merit of a one-dimensional conductor. Phys. Rev. B 47, 16631 1993
L.D. Hicks, T.C. Harman M.S. Dresselhaus: Use of quantum-well superlattices to obtain a high figure of merit from nonconventional thermoelectric materials. Appl. Phys. Lett. 63, 3230 1993
K. Koumoto, H. Koduka W-S. Seo: Thermoelectric properties of single crystal CuAlO2 with a layered structure. J. Mater. Chem. 11, 251 2001
M. Yasukawa, K. Ikeuchi, T. Kono, K. Ueda H. Hosono: Thermoelectric properties of delafossite-type layered oxides AgIn1−xSnxO2. J. Appl. Phys. 98, 013706/1 2005
T. Mori T. Nishimura: Thermoelectric properties of homologous p- and n-type boron-rich borides. J. Solid State Chem. 179, 2908 2006
K. Fukuda M. Hisamura: Crystal structure and thermoelectric properties of YAl3C3. J. Am. Ceram. Soc. (in press)
F. Izumi R.A. Dilanian: VENUS: A 3D visualization system for crystal structures and electron nuclear densities. IUCr Newslett. 32, 59 2005
L.M. Gelato E. Parthé: STRUCTURE TIDY—A computer program to standardize crystal structure data. J. Appl. Crystallogr. 20, 139 1987
G.S. Pawley: Unit-cell refinement from powder diffraction scans. J. Appl. Crystallogr. 14, 357 1981
H. Toraya: Whole-powder-pattern fitting without reference to a structural model: Application to x-ray powder diffractometer data. J. Appl. Crystallogr. 19, 440 1986
A. Altomare, M.C. Burla, M. Camalli, B. Carrozzini, G.L. Cascarano, C. Giacovazzo, A. Guagliardi, A.G.G. Moliterni, G. Polidori R. Rizzi: EXPO program for full powder pattern decomposition and crystal structure solution. J. Appl. Crystallogr. 32, 339 1999
The Rietveld Method, edited by R.A. Young (Oxford University Press, Oxford, UK, 1993 1, 38
F. Izumi T. Ikeda: A Rietveld-analysis program RIETAN-98 and its applications to zeolites. Mater. Sci. Forum 321–324, 198 2000
H. Toraya: Array-type universal profile function for powder pattern fitting. J. Appl. Crystallogr. 23, 485 1990
W.A. Dollase: Correction of intensities for preferred orientation in powder diffractometry: application of the march model. J. Appl. Crystallogr. 19, 267 1986
G.W. Brindley: Quantitative x-ray analysis of crystalline substances or phases in their mixtures. Bull. Soc. Chim. Fr. D591949
Th.M. Gesing W. Jeitschko: The crystal structure and chemical properties of U2Al3C4 and structure refinement of Al4C3. Z. Naturforsch. 50B, 196 1995
Supported by a Grant-in-Aid for Scientific Research (No. 18560654) from the Japan Society for the Promotion of Science and by a grant from the Thermal and Electric Energy Technology Foundation, Japan.
About this article
Cite this article
Fukuda, K., Hisamura, M., Kawamoto, Y. et al. Synthesis, crystal structure, and thermoelectric properties of a new layered carbide (ZrC)3[Al3.56Si0.44]C3. Journal of Materials Research 22, 2888–2894 (2007). https://doi.org/10.1557/JMR.2007.0372