perovskite atlas Structures, modes and phase transitions · Josu M. Igartua · UPV/EHU

Table 4.3 · Thesis 3 · Iturbe 2012

Table 4.3 · Thesis 3 · Iturbe 2012

status thesis-only · visibility public · id tbl:thesis-03.4.3

Reference structures (parent phase) for ordered ( F m \overline{3} m, No.225) and disordered ( P m \overline{3} m, No.221) perovskite structures. The same virtual reference structures have been used for all the compounds.

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Thesis 3 · Iturbe 2012
Table
4.3
225 221
7.92097 .92097 .920990 .0090 .0090 .00 3.84383 .84383 .843890 .0090 .0090
6 6
Ru 1 4a 0.00000 0.00000 0.00000 Ru 1 1a 0.00000 0.00000 0.00000
Co 1 4b 0.50000 0.50000 0.50000 Sr 1 1b 0.50000 0.50000 0.50000
Sr 1 8c 0.25000 0.25000 0.25000 O 1 3d 0.00000 0.00000 0.50000
O 1 24e 0.24714 0.00000 0.00000

Evidence