construct the table of the normalized atom positions (x,yand z coordinate)of the

Question

construct the table of the normalized atom positions (x,yand z coordinate)of the compound Tl2Ba2CuO6 similar to the following table

V ALIGNED HgBaCaCuC Table 8.5 Normalized Atom Positions in the Tetragonal Unit Cell of Layer [Hg] [O - Ba] [Cu O2- [-Ca] [Cu 02-I Atom Hg O(3) 0(2) 0 0 0 0.843 0.778 0.621 0.627 0.627 0 Cu O() 0 Ca, Sr 0 2 0 0.373 0.373 0.379 0.222 0.157 o(1) 0 I0-Ba 0,237 [o - Ba] - Hg 0(3) [Hg] a Unit cell dimensions a = 3.8584A and c = 12.6646 A, space group is P4/rnrnm, D4h. The Hg site is 91% occupied and the 0(3) site is 1 1% occupied (8-0.11). The data are from Hur et al. (1994). are square planar coordinated. The layer- ing scheme stacking rules of Section IV.C are obeyed by the Hg series of compounds with metnl i

Explanation / Answer

In this there is Cuo2 stacking sequence.

That is Ti-O,Ti-O,Ba-O,Cu-O,Ba-O,Ti-O,Ti-O

Atom x y z Ti 0.5 0.5 0.2 Ba 0 0 0.08 Cu 0.5 05 0 O10 0 0.5 0 O2 0.5 0.5 0.117 O3 0 0 0.211

In this there is Cuo2 stacking sequence.

That is Ti-O,Ti-O,Ba-O,Cu-O,Ba-O,Ti-O,Ti-O

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