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

Figure 7.2 · Thesis 3 · Iturbe 2012

Figure 7.2 · Thesis 3 · Iturbe 2012

status thesis-only · visibility public · id plt:thesis-03.7.2

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Amplitudes of $\mathrm{GM}_{4}^{+}$(filled circles), $\mathrm{X}_{3}^{+}$(stars) and $\mathrm{X}_{5}^{+}$irreps (empty circles) in the RT structures of the $\mathrm{SrLaMRuO}_{6}\left(\mathrm{M}=\mathrm{Zn}^{a}, \mathrm{Mg}^{a}\right)$ (PW) (light-blue), $\mathrm{SrLaMRuO}_{6} \left(\mathrm{M}=\mathrm{Cu}^{b}[116], \mathrm{Ni}^{b}[116], \mathrm{Co}^{* a}[111], \mathrm{Co}^{c}[115]\right), \quad \mathrm{SrNdMRuO}_{6} \quad\left(\mathrm{M}=\mathrm{Zn}^{a}, \mathrm{Co}^{a}, \mathrm{Mg}^{a}, \mathrm{Ni}^{a}\right) \quad$ (dark-blue) [120] and $\mathrm{SrPrMRuO}_{6}\left(\mathrm{M}=\mathrm{Zn}^{a}, \mathrm{Co}^{a}, \mathrm{Mg}^{a}, \mathrm{Ni}^{a}\right)$ (purple) [125] compounds, and $\Psi$ and $\Phi$ tilt-angles (red symbols), as obtained from the NPD ${ }^{a}$, synchrotron radiation ${ }^{b}$ or XRPD ${ }^{c}$ data refinement, in function of calculated tolerance factors ( $\mathrm{Sr} / \mathrm{Ln}-\mathrm{O}$ distance in nine coordination is chosen since it is the highest coordination number available for all tabulated rare-earths). Lines in the figure are guide to the eyes. PW stands for present work.

Amplitudes of \mathrm{GM}_{4}^{+}(filled circles), \mathrm{X}_{3}^{+}(stars) and \mathrm{X}_{5}^{+}irreps (empty circles) in the RT structures of the \mathrm{SrLaMRuO}_{6}\left(\mathrm{M}=\mathrm{Zn}^{a}, \mathrm{Mg}^{a}\right) (PW) (light-blue), \mathrm{SrLaMRuO}_{6} \left(\mathrm{M}=\mathrm{Cu}^{b}[116], \mathrm{Ni}^{b}[116], \mathrm{Co}^{* a}[111], \mathrm{Co}^{c}[115]\right), \quad \mathrm{SrNdMRuO}_{6} \quad\left(\mathrm{M}=\mathrm{Zn}^{a}, \mathrm{Co}^{a}, \mathrm{Mg}^{a}, \mathrm{Ni}^{a}\right) \quad (dark-blue) [120] and \mathrm{SrPrMRuO}_{6}\left(\mathrm{M}=\mathrm{Zn}^{a}, \mathrm{Co}^{a}, \mathrm{Mg}^{a}, \mathrm{Ni}^{a}\right) (purple) [125] compounds, and \Psi and \Phi tilt-angles (red symbols), as obtained from the NPD { }^{a}, synchrotron radiation { }^{b} or XRPD { }^{c} data refinement, in function of calculated tolerance factors ( \mathrm{Sr} / \mathrm{Ln}-\mathrm{O} distance in nine coordination is chosen since it is the highest coordination number available for all tabulated rare-earths). Lines in the figure are guide to the eyes. PW stands for present work.

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Thesis 3 · Iturbe 2012
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