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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 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 : D P =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
00.670.501
0.180.130.5601
0.3900.2201
0.010.74000.5
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ba1(2a)2
Y1(4h)3
F1(8j)-1
F2(4i)-1
F3(8j)-1
0.000.000.000-0.00
0.000.000.0000.000
0.000.000.010.000.000.00
0.000.000.0000.000
0.000.000.000.000.00-0.0

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