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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=81262 Help
TitleNeutron diffraction studies of quadrupled perovskites Sm2 Ba2 Cu2 Ti1.5 Sn0.5 O11, Sm2 Ba2 Cu2 Ti1.55 Sn0.2 Sc0.25 O11 and Gd2 Ba2 Cu2 Ti2 O11 and calcium doping of Gd2 Ba2 Cu2 Ti2 O11.
AuthorsGormezano, A.;Weller, M.T.
ReferenceChemistry of Materials (1995) 7, 1625-1630
Link XRef SCOPUS SCIRUS Google
CompoundBa1.84 Ca0.4 Cu2 Gd1.76 O11 Ti2 - Gadolinium calcium barium copper titanium oxide (1.8/0.4/1.8/2/2/11) [A2B2C2D2X11] [tP19] [t2 h g3 d c b] []
Cell3.8844(1), 3.8844(1), 15.6899(2), 90., 90., 90.
P4/MMM (123) V=236.74
RemarksR=0.058000 : NDP RVP DEF
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.

Atom (site) Oxid. x, y, z, B, Occupancy
Gd1(1c)3
Ba1(2h)2
Ca1(2h)2
Gd2(1d)3
Ba2(1d)2
Ti1(2g)4
Cu1(2g)2.12
Cu2(2g)2.12
Ti2(2g)4
O1(1b)-2
O2(8t)-2
O3(2g)-2
O4(8t)-2
0.50.502.36(39)1
0.50.50.2357(4)0.3(2)0.80(2)
0.50.50.2357(4)0.3(2)0.20(2)
0.50.50.52.71(30)0.76(4)
0.50.50.52.71(30)0.24(4)
000.3834(10)2.81(51)0.705(85)
000.3834(10)2.81(51)0.295(85)
000.1163(4)0.37(35)0.705(85)
000.1163(4)0.37(35)0.295(85)
000.51.60(46)1
0.0874(15)0.50.3954(23)1.60(46)0.5
000.2751(21)1.60(46)1
0.0011(17)0.50.0940(25)1.60(46)0.5

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