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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=281282 Help
TitlePerovskite-related La Ti O3.41.
AuthorsDaniels, P.;Lichtenberg, F.;van Smaalen, S.
ReferenceIC&volume=59&fpage=15&details=yes target=icsd_help>Acta Crystallographica C (2003) 59, 15-17
Link XRef SCOPUS Google
CompoundLa5 O17 Ti5 - Lanthanum titanium oxide (5/5/17) [A5B5X17] [mP108] [e26 b a] []
Cell7.8580(11), 5.5281(9), 31.449(5), 90., 97.166(16), 90.
P121/C1 (14) V=1355.47
RemarksR=0.039000 : M
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
La2(4e)3
La3(4e)3
La4(4e)3
La5(4e)3
Ti1(2b)3.8
Ti2(2a)3.8
Ti3(4e)3.8
Ti4(4e)3.8
Ti5(4e)3.8
Ti6(4e)3.8
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-2
O10(4e)-2
O11(4e)-2
O12(4e)-2
O13(4e)-2
O14(4e)-2
O15(4e)-2
O16(4e)-2
O17(4e)-2
0.250.000.500.001
0.29-.000.090.001
0.790.000.080.001
-.350.040.290.001
0.140.080.280.001
0.5000.001
0000.001
0.540.500.090.001
0.040.500.090.001
0.080.030.170.001
0.590.030.170.001
0.550.280.030.001
-.010.270.030.001
0.500.770.050.001
0.040.770.040.001
0.090.290.210.001
0.620.310.200.011
0.120.810.220.001
0.600.820.220.001
0.040.190.120.001
0.570.190.120.001
0.330.070.170.001
0.83-.030.160.001
0.110.710.130.001
0.520.700.130.001
0.790.540.080.001
0.290.440.080.001
0.740.94-.000.001
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
La1(4e)3
La2(4e)3
La3(4e)3
La4(4e)3
La5(4e)3
Ti1(2b)3.8
Ti2(2a)3.8
Ti3(4e)3.8
Ti4(4e)3.8
Ti5(4e)3.8
Ti6(4e)3.8
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-2
O10(4e)-2
O11(4e)-2
O12(4e)-2
O13(4e)-2
O14(4e)-2
O15(4e)-2
O16(4e)-2
O17(4e)-2
0.000.000.00-0.00.00-0.0
0.000.000.00-0.00.00-0.0
0.000.000.00-0.00.00-0.0
0.000.000.01-0.00.00-0.0
0.000.000.01-0.00.00-0.0
0.000.000.00-0.00.000.00
0.000.000.00-0.00.000.00
0.000.000.000.000.000.00
0.000.000.00-0.00.000.00
0.000.000.000.000.000.00
0.000.000.00-0.00.00-0.0
0.000.000.00-0.00.00-0.0
0.010.000.000.000.00-0.0
0.000.000.000.000.000.00
0.000.010.000.000.000.00
0.000.000.000.000.00-0.0
0.000.000.01-0.0-0.0-0.0
0.000.000.00-0.00.00-0.0
0.000.000.000.000.000.00
0.000.000.00-0.00.000.00
0.000.000.000.000.000.00
0.000.010.00-0.0-0.0-0.0
0.000.010.000.000.000.00
0.010.000.00-0.00.00-0.0
0.010.000.000.000.00-0.0
0.000.000.01-0.00.000.00
0.000.000.00-0.00.00-0.0
0.000.000.01-0.00.00-0.0

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