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ICSD for WWW : Details

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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=51226 Help
TitleNonstoichiometric Li-pseudobrookite(ss) in the Li2 O-Fe2 O3-Ti O2 system.
AuthorsGrey, I.E.;Li, C.;Ness, T.
ReferenceJournal of Solid State Chemistry (1998) 141, 221-228
Link XRef SCOPUS SCIRUS Google
CompoundFe1.23 Li0.375 O5 Ti1.4 - [Pseudobrookite] Lithium iron titanium oxide (0.38/1.23/1.4/5) [A3X5] [oS32] [f3 c2] []
Cell9.7305(1), 3.7430(1), 9.9350(1), 90., 90., 90.
CCMM (63) V=361.85
RemarksR=0.061000 : MIN =Pseudobrookite : RVP XDP DEF
Deviation of the charge sum from zero tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Fe1(4c)3
Ti1(4c)4
Li1(4c)1
Fe2(8f)3
Ti2(8f)4
O1(4c)-2
O2(8f)-2
O3(8f)-2
0.8119(3)00.250.50.41
0.8119(3)00.250.50.47
0.8119(3)00.250.50.38
0.1361(2)00.0638(2)0.61(3)0.41
0.1361(2)00.0638(2)0.61(3)0.47
0.2321(8)00.252.10(9)1
0.0448(6)00.8817(5)2.10(9)1
0.3147(5)00.9302(6)2.10(9)1

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