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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=80598 Help
TitleOn the crystal structures of La2 Ti2 O7 and La5 Ti5 O17: high-resolution electron microscopy.
AuthorsWilliams, T.;Schmalle, H.W.;Reller, A.;Lichtenberg, F.;Widmer, D.;Bednorz, J.G.
ReferenceJournal of Solid State Chemistry (1991) 93, 534-548
Link XRef SCOPUS SCIRUS Google
CompoundLa5 O17 Ti5 - Lanthanum titanium oxide (5/5/17) [A5B5X17] [mP54] [a27] []
Cell3.982, 5.532, 31.46599, 90., 97.14, 90.
P1C1 (7) V=687.77
RemarksEDP MOD
At least one temperature factor missing in the paper.
No R value given in the paper.
Paper lists coordinates of all atoms in the cell relative to La1; transformed to Pc by adding y=.17 and equivalents omitted; also P2/c regarded as possible space group

Atom (site) Oxid. x, y, z, B, Occupancy
La1(2a)3
La2(2a)3
La3(2a)3
La4(2a)3
La5(2a)3
Ti1(2a)3.8
Ti2(2a)3.8
Ti3(2a)3.8
Ti4(2a)3.8
Ti5(2a)3.8
O1(2a)-2
O2(2a)-2
O3(2a)-2
O4(2a)-2
O5(2a)-2
O6(2a)-2
O7(2a)-2
O8(2a)-2
O9(2a)-2
O10(2a)-2
O11(2a)-2
O12(2a)-2
O13(2a)-2
O14(2a)-2
O15(2a)-2
O16(2a)-2
O17(2a)-2
0.0(1)0.17(9)0.000(15)01
0.6(1)0.70(9)0.090(15)01
0.7(1)0.24(9)0.203(15)01
0.8(1)0.77(9)0.294(15)01
0.9(1)0.19(9)0.384(15)01
0.1(1)0.21(9)0.113(15)01
0.2(1)0.74(9)0.203(15)01
0.3(1)0.27(9)0.296(15)01
0.4(1)0.79(9)0.384(15)01
0.5(1)0.32(9)0.475(15)01
0.5(1)0.93(9)0.025(15)01
0.5(1)0.43(9)0.025(15)01
0.1(1)0.95(9)0.069(15)01
0.1(1)0.45(9)0.069(15)01
0.6(1)0.21(9)0.113(15)01
0.2(1)0.47(9)0.159(15)01
0.2(1)0.97(9)0.159(15)01
0.7(1)0.74(9)0.203(15)01
0.3(1)0.50(9)0.250(15)01
0.3(1)0.00(9)0.250(15)01
0.8(1)0.27(9)0.296(15)01
0.3(1)0.53(9)0.341(15)01
0.3(1)0.03(9)0.341(15)01
0.9(1)0.80(9)0.384(15)01
0.4(1)0.56(9)0.428(15)01
0.4(1)0.06(9)0.428(15)01
0.0(1)0.32(9)0.475(15)01

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