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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=90953 Help
TitleSynthesis and structure of a new family of nickelates: Tl (Ln2 Sr2)Ni2 O9, Ln = La, Pr, Nd, Sm, Eu and Gd.
AuthorsKnee, C.S.;Weller, M.T.
ReferenceIC&volume=150&fpage=1&details=yes target=icsd_help>Journal of Solid State Chemistry (2000) 150, 1-13
Link XRef SCOPUS Google
CompoundNd2 Ni2 O9 Sr2 Tl1 - Thallium(III) neodymium strontium nickel oxide (1/2/2/2/9) [AB2C2D2X9] [tI32] [h2 g e5] []
Cell3.7732(1), 3.7732(1), 29.5909(6), 90., 90., 90.
I4/MMM (139) V=421.29
RemarksR=0.039000 : D N T =5 :
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
Tl1(8h)3
Nd1(4e)3
Sr1(4e)2
Nd2(4e)3
Sr2(4e)2
Ni1(4e)2.5
O1(8h)-2
O2(4e)-2
O3(8g)-2
O4(4e)-2
0.040.040-.280.25
0.50.50.08-.050.15
0.50.50.08-.050.85
0.50.50.20-.050.85
0.50.50.20-.050.15
000.140.331
0.540.5401.340.25
000.061.251
0.500.140.501
000.210.861

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