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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=56655 Help
TitleSingle-crystal neutron-diffraction structures of reduced and oxygenated Nd2-x Cex Cu Oy.
AuthorsSchultz, A.J.;Jorgensen, J.D.;Peng, J.-L.;Greene, R.L.
ReferencePhysical Review, Serie 3. B - Condensed (1996) 53, 515-515
Link XRef SCOPUS Google
CompoundCe0.15 Cu1 Nd1.85 O3.95 - Neodymium cerium copper oxide (1.85/0.15/1/3.95) - reduced [AB2X4] [tI14] [e d c a] []
Cell3.9075(9), 3.9075, 11.945(4), 90., 90., 90.
I4/MMM (139) V=182.38
RemarksR=0.047100 : N P =48-439 : T =15 : D
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.
If .02 O on 0 0 .196 R=0.0472

Atom (site) Oxid. x, y, z, B, Occupancy
Nd1(4e)3
Ce1(4e)3
Cu1(2a)1.9
O1(4c)-2
O2(4d)-2
000.3500.92
000.3500.07
00001
0.50000.98
00.50.2500.99
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Nd1(4e)3
Ce1(4e)3
Cu1(2a)1.9
O1(4c)-2
O2(4d)-2
0.000.000.00000
0.000.000.00000
0.000.000.00000
0.000.000.00000
0.000.000.00000

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