Crystal structure and thermal evolution of inedite α-Zr2O(PO4)2 and α-Hf2O(PO4)2

被引：12
|
作者：
Wallez, Gilles [1 ]
Souron, Jean-Paul [1 ]
Quarton, Michel [1 ]
机构：
[1] Univ Paris 06, CNRS, UMR 7574, F-75005 Paris, France
来源：
SOLID STATE SCIENCES | 2006年 / 8卷 / 09期
关键词：
phosphates; crystal structure; Rietveld analysis; phase transition;
D O I：
10.1016/j.solidstatesciences.2006.02.054
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The structures of isotypic alpha-Zr2O(PO4)(2) (S.G. I2/m, a = 10.2726(6), b = 6.5957(3), c 10.0665(5) angstrom, beta = 95.433(3)degrees, V = 679.00(6) angstrom(3), Z = 4) and alpha-Hf2O(PO4)(2) (S.G. I2/m, a = 10.2301(3), b 6.5819(2), c = 10.0075(5) angstrom, 95.371(1)degrees,. V = 670.87(3) angstrom(3), Z = 4) have been resolved ab initio by Rietveld analysis. At variance with the beta-form, they show both MO6 and MO7 polyhedra (M = Zr, Hf), forming ribbons with the PO4 tetrahedra. A lattice energy calculation explains why the alpha-form is less stable than the beta-form, thus making the alpha-beta transition irreversible. However, the substitution of smaller Hf-IV for Zr-IV allows to keep the a-framework up to 1500 degrees C by stabilizing the MO6 octahedra. (c) 2006 Elsevier SAS. All rights reserved.
引用
收藏
页码：1061 / 1066
页数：6
相关论文
共 50 条
  • [1] Mechanism of the low thermal expansion in α-Hf2O(PO4)2 and its zirconium analog
    Wallez, Gilles
    Bregiroux, Damien
    Quarton, Michel
    [J]. JOURNAL OF SOLID STATE CHEMISTRY, 2008, 181 (06) : 1413 - 1418
  • [2] Reducing ultra-low thermal expansion of β-Zr2O(PO4)2 by substitutions?
    Barreteau, Celine
    Bregiroux, Damien
    Laurent, Guillaume
    Wallez, Gilles
    [J]. MATERIALS RESEARCH BULLETIN, 2010, 45 (12) : 1996 - 2000
  • [3] Crystal structures of Th(OH)PO4, U(OH)PO4 and Th2O(PO4)2.: Condensation mechanism of MIV(OH)PO4 (M = Th, U) into M2O(PO4)2
    Dacheux, Nicolas
    Clavier, Nicolas
    Wallez, Gilles
    Quarton, Michel
    [J]. SOLID STATE SCIENCES, 2007, 9 (07) : 619 - 627
  • [4] ON THE CRYSTAL STRUCTURE OF W2O3(PO4)2
    KIERKEGAARD, P
    [J]. ACTA CHEMICA SCANDINAVICA, 1960, 14 (03): : 657 - 676
  • [5] CRYSTAL STRUCTURE OF CDZN2(PO4)2 AND CD2ZN(PO4)2
    CALVO, C
    STEPHENS, JS
    [J]. CANADIAN JOURNAL OF CHEMISTRY, 1968, 46 (06): : 903 - &
  • [6] Hydrogen bond network of the layered phosphates γ-Zr(H2PO4)(PO4)•2 H2O and γ-Hf(H2PO4(PO4)•2 H2O determined by neutron powder diffraction
    Salvadó, MA
    Pertierra, P
    García-Granda, S
    Barcina, LM
    Llavona, R
    Rodríguez, J
    [J]. ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 2001, 216 (06): : 326 - 330
  • [7] Effect of the sintering method on microstructure and thermal and mechanical properties of zirconium oxophosphate ceramics Zr2O(PO4)2
    Bregiroux, Damien
    Cedelle, Julie
    Ranch, Isabelle
    Barreteau, Celine
    Osoro, Gustavo Mata
    Wallez, Gilles
    [J]. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2017, 111 : 304 - 310
  • [8] CRYSTAL-STRUCTURES OF CSTA(PO4)2 AND TAH(PO4)2
    NIKOLAEV, VP
    SADIKOV, GG
    LAVROV, AV
    PORAIKOSHITS, MA
    [J]. INORGANIC MATERIALS, 1983, 19 (06) : 876 - 880
  • [9] CRYSTAL-STRUCTURE OF CU5O2(PO4)2
    BRUNELLAUGT, M
    GUITEL, JC
    [J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1977, 33 (NOV): : 3465 - 3468
  • [10] Structural and thermal studies of SrU(PO4)2 and BaU(PO4)2
    Keskar, Meera
    Vats, B. G.
    Phatak, R.
    Krishnan, K.
    Sali, S. K.
    Kannan, S.
    [J]. JOURNAL OF ALLOYS AND COMPOUNDS, 2017, 725 : 1199 - 1209
12345