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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=50654 Help
TitleCharacterization of ternary compounds in the Ba O:Fe2 O3 :TiO2 system: Ba6 Fe45 Ti17 O106 and Ba Fe11 Ti3 O23.
AuthorsVanderah, T.A.;Wong-Ng, W.;Toby, B.H.;Browning, V.M.;Shull, R.D.;Geyer, R.G.;Roth, R.S.
ReferenceIC&volume=143&fpage=182&details=yes target=icsd_help>Journal of Solid State Chemistry (1999) 143, 182-197
Link XRef SCOPUS Google
CompoundBa1 Fe11.04 O23 Ti2.96 - Barium iron titanium oxide (1/11.04/2.96/23) [AB14X23] [mS152] [f17 e3 b] []
Cell19.5610(10), 8.6614(7), 10.120(1), 90., 105.62(1), 90.
C12/C1 (15) V=1651.27
RemarksR=0.055000 : T =298 :

Atom (site) Oxid. x, y, z, B, Occupancy
Ba1(4e)2
Fe1(8f)2.913
Ti1(8f)4
Fe2(8f)2.913
Ti2(8f)4
Fe3(8f)2.913
Ti3(8f)4
Fe4(8f)2.913
Ti4(8f)4
Fe5(8f)2.913
Ti5(8f)4
Fe6(8f)2.913
Ti6(8f)4
Fe7(8f)2.913
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
O7(8f)-2
O8(8f)-2
O9(8f)-2
O10(4e)-2
O11(4e)-2
O12(4b)-2
O13(8f)-2
00.320.2501
0.060.000.4400.65
0.060.000.4400.35
-.060.630.0300.72
-.060.630.0300.28
-.060.810.3000.63
-.060.810.3000.37
0.310.000.2200.91
0.310.000.2200.09
0.170.150.2400.77
0.170.150.2400.23
0.180.310.5100.84
0.180.310.5100.16
0.280.340.0701
0.230.320.370.001
0.120.150.390.001
0.240.150.120.001
-.130.670.340.001
-.120.490.090.001
-.110.820.100.001
0.250.020.350.001
0.120.330.150.001
0.000.160.500.001
00.660.250.001
0-.010.250.001
00.50.50.001
0.110.000.640.001
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ba1(4e)2
Fe1(8f)2.913
Ti1(8f)4
Fe2(8f)2.913
Ti2(8f)4
Fe3(8f)2.913
Ti3(8f)4
Fe4(8f)2.913
Ti4(8f)4
Fe5(8f)2.913
Ti5(8f)4
Fe6(8f)2.913
Ti6(8f)4
Fe7(8f)2.913
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
O7(8f)-2
O8(8f)-2
O9(8f)-2
O10(4e)-2
O11(4e)-2
O12(4b)-2
O13(8f)-2
0.000.010.0000.000
0.000.000.00-.000.00-.00
0.000.000.00-.000.00-.00
0.000.000.000.000.00-.00
0.000.000.000.000.00-.00
0.000.000.00-.000.00-.00
0.000.000.00-.000.00-.00
0.000.000.000.000.00-.00
0.000.000.000.000.00-.00
0.000.000.000.000.000.00
0.000.000.000.000.000.00
0.000.000.00-.000.00-.00
0.000.000.00-.000.00-.00
0.010.010.010.000.000.00
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000

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