Refinement of the α-U4O9 Crystalline Structure: New Insight into the U4O9 → U3O8 Transformation

被引:53
作者
Desgranges, L. [1 ]
Badinozzi, G. [2 ,3 ]
Simeone, D. [2 ,3 ]
Fischer, H. E. [4 ]
机构
[1] CEA DEN DEC, F-13108 St Paul Les Durance, France
[2] Ecole Cent Paris, SPMS, CNRS, F-92295 Chatenay Malabry, France
[3] CEA DEN DANS DMN SRMA LA2M, F-91191 Gif Sur Yvette, France
[4] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France
关键词
NONSTOICHIOMETRIC URANIUM-DIOXIDE; NEUTRON-DIFFRACTION; UO2;
D O I
10.1021/ic200316b
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The oxidation reaction of UO2 into U3O8 is studied as a function of the crystalline distortion of interstitial oxygen clusters, named cuboctahedra, which appear in U4O9 and U3O7 intermediate phases. For that purpose, the refinement of alpha-U4O9 was performed because this phase undergoes a trigonal distortion from cubic beta-U4O9 when the temperature is decreased. In alpha-U4O9, the cuboctahedra can be described as crumpled sheets taken from a fragment of U3O8. The manner by which the accumulation of crumpled sheets can lead to the formation of U3O8 is discussed.
引用
收藏
页码:6146 / 6151
页数:6
相关论文
共 22 条
[1]   A MECHANISM FOR THE UO2 TO ALPHA-U3O8 PHASE-TRANSFORMATION [J].
ALLEN, GC ;
HOLMES, NR .
JOURNAL OF NUCLEAR MATERIALS, 1995, 223 (03) :231-237
[2]   Cooperativity among defect sites in AO2+x and A4O9 (A=U,Np,Pu): Density functional calculations [J].
Andersson, D. A. ;
Lezama, J. ;
Uberuaga, B. P. ;
Deo, C. ;
Conradson, S. D. .
PHYSICAL REVIEW B, 2009, 79 (02)
[3]   CHANGEMENTS DE STRUCTURE DE LOXYDE U4O9 [J].
BELBEOCH, B ;
BOIVINEA.JC ;
PERIO, P .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1967, 28 (07) :1267-&
[4]   THE CRYSTAL-STRUCTURE OF BETA-U4O9-Y [J].
BEVAN, DJM ;
GREY, IE ;
WILLIS, BTM .
JOURNAL OF SOLID STATE CHEMISTRY, 1986, 61 (01) :1-7
[5]  
Burns P. C., 2007, STRUCTURAL CHEM INOR
[6]   Local structure and charge distribution in the UO2-U4O9 system [J].
Conradson, SD ;
Manara, D ;
Wastin, F ;
Clark, DL ;
Lander, GH ;
Morales, LA ;
Rebizant, J ;
Rondinella, VV .
INORGANIC CHEMISTRY, 2004, 43 (22) :6922-6935
[7]   Refinement of the structure of β-U4O9 [J].
Cooper, RI ;
Willis, BTM .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2004, 60 :322-325
[8]  
Desgranges L., 2010, J NUCL MATER, V407, P44
[9]   Neutron Diffraction Study of the in Situ Oxidation of UO2 [J].
Desgranges, Lionel ;
Baldinozzi, Gianguido ;
Rousseau, Gurvan ;
Niepce, Jean-Claude ;
Calvarin, Gilbert .
INORGANIC CHEMISTRY, 2009, 48 (16) :7585-7592
[10]   PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals [J].
Farrow, C. L. ;
Juhas, P. ;
Liu, J. W. ;
Bryndin, D. ;
Bozin, E. S. ;
Bloch, J. ;
Proffen, Th ;
Billinge, S. J. L. .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2007, 19 (33)