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Crystal structure and thermal properties of compound K2Zn3(P2O7)2

Published online by Cambridge University Press:  29 February 2012

L. N. Ji,
G. M. Cai,
J. B. Li,
J. Luo,
J. K. Liang,
J. Y. Zhang,
Y. H. Liu,
G. H. Rao and
X. L. Chen
L. N. Ji
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China and International Center for Materials Physics, Academic Sinica, Shenyang 110016, China
G. M. Cai
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China and International Center for Materials Physics, Academic Sinica, Shenyang 110016, China
J. B. Li
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China and International Center for Materials Physics, Academic Sinica, Shenyang 110016, China
J. Luo
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China and International Center for Materials Physics, Academic Sinica, Shenyang 110016, China
J. K. Liang*
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China and International Center for Materials Physics, Academic Sinica, Shenyang 110016, China
J. Y. Zhang
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China and International Center for Materials Physics, Academic Sinica, Shenyang 110016, China
Y. H. Liu
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China and International Center for Materials Physics, Academic Sinica, Shenyang 110016, China
G. H. Rao
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China and International Center for Materials Physics, Academic Sinica, Shenyang 110016, China
X. L. Chen
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China and International Center for Materials Physics, Academic Sinica, Shenyang 110016, China
*
Corresponding author.
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Abstract

K2Zn3(P2O7)2 was synthesized by solid state reaction and its crystal structure was determined by ab initio method from powder X-ray diffraction (XRD) data. The title compound was determined to be orthorhombic with space group P212121, Z=4, and lattice parameters a=12.901(8) Å, b=10.102(6) Å, and c=9.958(1) Å. Values of lattice parameters from 303 to 573 K were measured by temperature-dependent XRD. Thermal expansion coefficients α0, lattice parameters, and cell volume at 0 K were determined to be α0(a)=1.62327×10−4/K, a0=12.855(4) Å, α0(b)=1.17921×10−4/K, b0=10.070(8) Å, α0(c)=2.62364×10−4/K, c0=9.880(4) Å, and α0(V)=6.599×10−2/K, V0=1278.967(0) Å3. The specific heat equation as a function of temperature was determined to be Cp=0.77115+0.00231T−1241.60027T−2−1.4133×10−6T2 (J/K g), for temperatures from 198 to 710 K. The melting point estimated from the μ-DTA heating curve is 795 °C.

Keywords

K2Zn3(P2O7)2structure determinationthermal expansion coefficientspecific heat

Information

Type
Technical Articles
Information
Powder Diffraction , Volume 23 , Issue 4 , December 2008, pp. 317 - 322
Copyright
Copyright © Cambridge University Press 2008

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