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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=69302 Help
TitleNeutron diffraction study of Tl2Ba2CuO6+d with various Tc's from 0 to 73K.
AuthorsShimakawa, Y.;Kubo, Y.;Manako, T.;Igarashi, H.;Izumi, F.;Asano, H.
ReferencePhysical Review, Serie 3. B - Condensed Matter (1990) 42, 10165-10170
Link XRef SCOPUS SCIRUS Google
CompoundBa2 Cu1.1 O6.08 Tl1.9 - Thallium barium copper oxide (1.9/2/1.1/6.1) [AB2C2X6] [tI22] [n g e3 c b] []
Cell3.86276(6), 3.86276(6), 23.1848(4), 90., 90., 90.
I4/MMM (139) V=345.94
RemarksR=0.026000 : 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
Tl1(4e)3
Cu1(4e)2.236
Ba1(4e)2
Cu2(2b)2.236
O1(4c)-2
O2(4e)-2
O3(16n)-2
O4(8g)-2
000.29739(8)00.95
000.29739(8)00.05
000.0834(1)01
000.501
00.5001
000.3830(1)01
00.090(3)0.2105(2)00.250(3)
00.50.270(3)1.0.020(3)
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Tl1(4e)3
Cu1(4e)2.236
Ba1(4e)2
Cu2(2b)2.236
O1(4c)-2
O2(4e)-2
O3(16n)-2
O4(8g)-2
0.0233(6)0.0233(6)0.0065(8)000
0.0233(6)0.0233(6)0.0065(8)000
0.0065(7)0.0065(7)0.0117(13)000
0.0040(7)0.0040(7)0.0118(13)000
0.0063(11)0.0084(11)0.0114(12)000
0.0168(8)0.0179(8)0.0079(13)000
0.030(6)0.057(8)0.010(2)00.016(6)0
000000

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