Re: [sdpd] structure of CrVO4

[Dr Karsten Knorr <knorr...@min.uni-kiel.de>]

Dear Hamid,

this is from the ICSD database:

*data for   ICSD #36244
Coll Code   36244
Rec  Date   1980/01/01
Chem Name   Chromium Vanadate
Structured  Cr V O4
Sum         Cr1 O4 V1
ANX         ABX4
D(calc)     4.06
Title       X-ray analysis of Cr V O4 and isomorphous compounds
Author(s)   Brandt, K.
Reference   Arkiv foer Kemi, Mineralogi och Geologi, A
            (1943), 17, 1-13
Unit Cell   5.568 8.208 5.977 90. 90. 90.
Vol         273.16
Z           4
Space Group C m c m
SG Number   63
Cryst Sys   orthorhombic
Pearson     oC24
Wyckoff     g f c a
Red Cell    C  4.95918 4.95918 5.977 90 89.99999 111.697 136.581
Trans Red   0.500 -0.500 0.000 / 0.500 0.500 0.000 / 0.000 0.000 1.000
Comments    No R value given in the paper.
            At least one temperature factor missing in the paper.
Atom  #   OX   SITE      x           y           z           SOF      H
 Cr   1  +3    4 a   0           0           0              1.         0   
 V    1  +5    4 c   0           0.353(5)    0.25           1.         0   
 O    1  -2    8 f   0           0.237(5)    0.010(5)       1.         0   
 O    2  -2    8 g   0.247(5)    -.010(5)    0.25           1.         0   
*end for    ICSD #36244

Good luck,
Karsten

hamid m schrieb:

>Dear all,
>
>If any one can give me the cell paramaters and the
>atomic position of the orthorhombic phase of CrVO4 
>
>Thanks
>
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