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

Table 4.1 · Thesis 3 · Iturbe 2012

Table 4.1 · Thesis 3 · Iturbe 2012

status thesis-only · visibility public · id tbl:thesis-03.4.1

Transformation of the P 2_{1} / n monoclinic non-conventional structure to the conventional P 2_{1} / c setting by PSEUDO; the transformation matrix: c,b,-a-c;0, 0, 0.

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Thesis 3 · Iturbe 2012
Table
4.1
14 (P 12_{1} / n 1 ) 14 (P 12_{1} / c 1 )
5.54285 .55507 .833390 .0090 .04490 .00 7.83335 .55509 .592590 .00144 .7090 .00
6 6
Ru 1 2a 0.00000 0.00000 0.00000 Ru 1 2a 0.00000 0.00000 0.00000
Co 1 2b 0.00000 0.00000 0.50000 Co 1 2b 0.50000 0.00000 0.00000
Sr 1 4e -0.00730 0.46880 0.75160 Sr 1 4e 0.75890 0.46880 0.00730
O 1 4e -0.28600 0.20300 -0.03690 O 1 4e 0.24910 0.20300 0.28600
O 2 4e -0.78100 0.27700 0.03390 O 2 4 e 0.81490 0.27700 0.78100
O 3 4 e 0.07080 0.00910 0.75880 O 3 4e 0.68800 0.00910 -0.07080

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