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*data for   ICSD #172916
Coll Code   172916
Rec  Date   2008/02/01
Chem Name   Titanium Oxide
Structured  Ti O2
Sum         O2 Ti1
ANX         AX2
Min Name    Anatase
D(calc)     3.89
Title       Structural characterization of the hollandite host lattice for the
            confinement of radioactive cesium: Quantification of the amorphous
            phase taking into account the incommensurate modulated character of
            the crystallized part
Author(s)   Leinekugel-le-Cocq-Errien, A.Y.;Deniard, P.;Jobic, S.;Gautier,
            E.;Evain, M.;Aubin, V.;Bart, F.
Reference   Journal of Solid State Chemistry
            (2007), 180(1), 322-330
Unit Cell   3.78500(7) 3.78500(7) 9.5133(2) 90. 90. 90.
Vol         136.28
Z           4
Space Group I 41/a m d Z
SG Number   141
Cryst Sys   tetragonal
Pearson     tI12
Wyckoff     e b
R Value     0.0869
Red Cell    I  3.785 3.785 5.457 110.288 110.288 89.999 68.145
Trans Red   1.000 0.000 0.000 / 0.000 -1.000 0.000 / -0.500 0.500 -0.500
Comments    Hollandite/anatase mixture with 47.2 % hollandite, for
            hollandite phase see coll-code=172915
            Hollandite synthesized by dry route
            Compound with mineral name: Anatase
            Rietveld profile refinement applied
            Temperature in Kelvin: 293
            Temperature factors available
            Structure type : TiO2(tI12)
            X-ray diffraction (powder)
Atom  #   OX   SITE      x           y           z           SOF      H        ITF(U)   
Ti   1  +4    4 b   0           0.25        0.375          1.         0            .007
O    1  -2    8 e   0           0.25        0.1663(3)      1.         0            .013
Std. Notes  Transformation Method: Tidy
Std. Cell   3.7850 3.7850 9.5133 90 90 90
Std. Vol.   136.29
Std. Z      4
Std. SG     I41/AMDZ
Std. Atom
Atom  #   OX   SITE      x           y           z           SOF     
Ti   1  +4    4 b   0           .25         .375           1.        
O    1  -2    8 e   0           .25         .16630         1.        
*end for    ICSD #172916

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3Â¥2021-09-11 16:40:22
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3Â¥: Originally posted by gyliu at 2021-09-11 16:40:22
*data for   ICSD #172916
Coll Code   172916
Rec  Date   2008/02/01
Chem Name   Titanium Oxide
Structured  Ti O2
Sum         O2 Ti1
ANX         AX2
Min Name    Anatase
D(calc)     3.89
Title  ...

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