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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=75585 Help
TitleSynthesis and crystal structure of barium copper fluochalcogenides: (Ba Cu F Q (Q= S, Se)).
AuthorsZhu, W.-J.;Huang, Y.Z.;Wu, F.;Dong, C.;Chen, H.;Zhao, Z.-X.
ReferenceMaterials Research Bulletin (1994) 29, 505-508
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CompoundBa1 Cu1 F1 Se1 - Barium copper fluoride selenide [ABXY] [tP8] [c2 b a] []
Cell4.2391(1), 4.2391(1), 9.1217(2), 90., 90., 90.
P4/NMMZ (129) V=163.92
RemarksR=0.049000 : X

Atom (site) Oxid. x, y, z, B, Occupancy
Ba1(2c)2
Cu1(2a)1
Se1(2c)-2
F1(2b)-1
0.250.250.330.231
0.250.7501.481
0.750.750.150.401
0.250.750.50.4(1

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