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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=43476 Help
TitleThe crystal structures of Zr3 Al3 C5, Sc Al3 Cr, and U Al3 Cr and their relations to the structures of U2 Al3 C4 and Al4 C3.
AuthorsGesing, T.M.;Jeitschko, W.
ReferenceIC&volume=140&fpage=396&details=yes target=icsd_help>Journal of Solid State Chemistry (1998) 140, 396-401
Link XRef SCOPUS Google
CompoundC5 Al3 Zr3 - Zirconium aluminum carbide (3/3/5) [N3O3P5] [hP22] [b7 a4] []
Cell3.346(1), 3.346, 27.6490(60), 90., 90., 120.
P63MC (186) V=268.08
RemarksR=0.024000 : N
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.
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Zr1(2b)0
Zr2(2b)0
Zr3(2a)0
Al1(2b)0
Al2(2b)0
Al3(2a)0
C1(2b)0
C2(2b)0
C3(2b)0
C4(2a)0
C5(2a)0
0.330.660.590.211
0.330.660.900.211
0000.221
0.330.660.170.321
0.330.660.320.321
000.240.291
0.330.660.050.321
0.330.660.250.091
0.330.660.450.321
000.150.451
000.340.451

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