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ICSD for WWW : Details

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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=74359 Help
TitleStructure and Raman spectroscopy of Czochralski-grown barium yttrium and barium ytterbium fluorides crystals.
AuthorsGuilbert, L.H.;Gesland, J.Y.;Bulou, A.;Retoux, R.
ReferenceMaterials Research Bulletin (1993) 28, 923-930
Link XRef SCOPUS SCIRUS Google
CompoundBa1 F8 Y2 - Barium diyttrium fluoride [AB2X8] [mS22] [j2 i h a] []
Cell6.9829(5), 10.519(1), 4.2644(4), 90., 99.676(8), 90.
C12/M1 (12) V=308.78
RemarksR=0.046100 : DEF PDF =45-246 :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
PDF 45-246, the Yb-analogue is isotypic
For F3 on unsplit position 0 .7419 0 R=0.0464, U11(F3)=.0219

Atom (site) Oxid. x, y, z, B, Occupancy
Ba1(2a)2
Y1(4h)3
F1(8j)-1
F2(4i)-1
F3(8j)-1
00001
00.67610.501
0.1874(3)0.1399(2)0.5623(6)01
0.3913(5)00.2232(8)01
0.0169(7)0.7420(4)000.5
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ba1(2a)2
Y1(4h)3
F1(8j)-1
F2(4i)-1
F3(8j)-1
0.0064(2)0.0059(2)0.0075(2)0-0.0002(1)0
0.0033(2)0.0044(2)0.0041(2)00.0003(1)0
0.0058(7)0.0090(9)0.0136(8)0.0015(7)0.0019(6)0.0017(8)
0.0086(11)0.0070(12)0.0071(10)00.0002(8)0
0.0063(21)0.0098(15)0.0044(11)0.0006(16)0.0022(11)-0.0029(19)

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