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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=88629 Help
TitleEvolution of the structure of the K2 Ni F4 phases La2-x Srx Ni O4+d with oxidation state: octahedral distortion and phase separation (0.2 < x < 1.0).
AuthorsMillburn, J.E.;Green, M.A.;Neumann, D.A.;Rosseinsky, M.J.
ReferenceIC&volume=145&fpage=401&details=yes target=icsd_help>Journal of Solid State Chemistry (1999) 145, 401-420
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CompoundLa1 Ni1 O3.914 Sr1 - Lanthanum strontium nickel oxide (1/1/1/3.91) [AB2X4] [tI14] [e2 c a] [K2MgF4]
Cell3.82407(1), 3.82407(1), 12.42737(2), 90., 90., 90.
I4/MMM (139) V=181.73
RemarksR=0.033000 : D N T =298 : =K2MgF4 :
A site occupation is implausible or meaningless but agrees with the paper.
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
La1(4e)3
Sr1(4e)2
Ni1(2a)2.828
O1(4e)-2
O2(4c)-2
000.3600.5
000.3600.5
00001
000.1600.94
00.5001.01
Atom (site) Oxid. B11, B22, B33, B12, B13, B23
La1(4e)3
Sr1(4e)2
Ni1(2a)2.828
O1(4e)-2
O2(4c)-2
0.630.631.91000
0.630.631.91000
0.290.292.16000
1.031.031.61000
0.880.452.66000

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