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My xred  parameter  seems to be in error.For GdTaO4,the icsd file is
*data for   ICSD #20264
CopyRight   ?2005 by Fachinformationszentrum Karlsruhe, and the U.S. 
Secretary of Commerce on behalf of the United States.  All rights reserved.
Coll Code   20264
Rec  Date   1981/12/31
Chem Name   Gadolinium Tetraoxotantalate
Structured  Gd Ta O4
Sum         Gd1 O4 Ta1
ANX         ABX4
D(calc)     8.82
Title       On the m' - structure of the 'orthotantalates' of the rare-earth 
            elements
Author(s)   Trunov, V.K.;Kinzhibalo, L.N.;Efremov, V.A.;Krongauz, V.G.
Reference   Doklady Akademii Nauk SSSR
            (1981), 260, 103-106
Unit Cell   5.356(2) 5.506(1) 5.168(1) 90. 96.69(2) 90.
Vol         151.37
Z           2
Space Group P 1 2/a 1
SG Number   13
Cryst Sys   monoclinic
Pearson     mP12
Wyckoff     g2 f e
R Value     .043
Red Cell    P  5.168 5.356 5.506 90 90 96.69 151.367
Trans Red   0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000
Comments    At least one temperature factor missing in the paper.
Atom  #   OX   SITE      x           y       z              SOF        H 
 Ta   1  +5    2 e   0.25        0.3086(1)   0              1.         0    
 Gd   1  +3    2 f   0.25        0.7651(1)   0.5            1.         0    
 O    1  -2    4 g   0.4943(1)   0.4363(1)   0.2708(10)     1.         0    
 O    2  -2    4 g   0.1031(10)  0.0862(11)  0.2539(10)     1.         0    
*end for    ICSD #20264
My input file is
 spgroup 13
 natom 12
 natrd  3
 xred 
2.5E-01     7.6511E-01   5.0E-01    
2.5E-01    3.08600E-01   -9.8764E-019           
1.03100E-01  8.6200E-02   2.53900E-01 
I'm not sure whether  my xred is correct?Can you check it?
Also for YTaO4,the icsd file:
*data for   ICSD #15352
CopyRight   ?2005 by Fachinformationszentrum Karlsruhe, and the U.S. 
Secretary of Commerce on behalf of the United States.  All rights reserved.
Coll Code   15352
Rec  Date   1980/01/01
Mod  Date   2004/04/01
Chem Name   Yttrium Tantalum Oxide
Structured  Y Ta O4
Sum         O4 Ta1 Y1
ANX         ABX4
D(calc)     7.57
Title       The structure of the M'-phase of Y Ta O4, a third fergusonite 
            polymorph
Author(s)   Wolten, G.M.
Reference   Acta Crystallographica (1,1948-23,1967)
            (1967), 23, 939-944
            Phase Transition
            (1992), 38, 127-220
Unit Cell   5.292 5.451 5.11 90. 96.44 90.
Vol         146.48
Z           2
Space Group P 1 2/a 1
SG Number   13
Cryst Sys   monoclinic
Pearson     mP12
Wyckoff     g2 f e
R Value     .149
Red Cell    P  5.11 5.292 5.451 90 90 96.44 146.476
Trans Red   0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000
Comments    HT-form in I41/a (2nd ref., Tomaszewski)
            PDF 24-1425
            The structure has been assigned a PDF number: 24-1425
Atom  #   OX   SITE   x      y           z       SOF      H     ITF(B)    
 Y    1  +3    2 e   0.25    0.7694(6)   0        1.      0       0
 Ta   1  +5    2 f   0.25    0.3056(3)   0.5      1.      0       0
 O    1  -2    4 g   0.490(6) 0.462(4)   0.266(4) 1.      0       0.59
 O    2  -2    4 g   0.081(12) 0.069(8)  0.258(7) 1.      0       3.12
Lbl  Type   Beta11      Beta22    Beta33   Beta12   Beta13      Beta23
Y1   Y3+  0.0002(11)  0.0033(7)  0.0049(12)  0       -.001(2)     0           
Ta1  Ta5+ 0.0024(6)   0.0047(4)  0.0068(6)   0       0.0064(10)   0           
*end for    ICSD #15352
My input file is:
 spgroup 13
 natom 12
 natrd  3
 xred 
2.5E-01    7.658E-01   1.0
7.5E-01    6.944E-01   5.0E-01
5.11E-01   5.66E-01    7.32E-01
I'm not sure whether  my xred is correct?Can you check it?
My calculation results is not good.I doubt whether the xred parameter is 
correct or not all the time? 
I hope you can check it for me and give me a correct one.Thank you very much.