Table 2 The structure of the MFP phase refined in space group P4mm

From: Picometer polar atomic displacements in strontium titanate determined by resonant X-ray diffraction

Atom

Wyckoff site

x/a

y/a

z/c

Δz (pm)

Sr

1a

0

0

0

–

Ti

1b

1/2

1/2

0.4966 (3)

−1.34 (16)

O1

1b

1/2

1/2

0.0096 (11)

3.67 (59)

O2

2c

1/2

0

0.5099 (11)

3.80 (63)

  1. The result refers to a selected strain of \(\frac{{{\mathrm{\Delta }}c}}{c} = 0.15\%\) (c = 3.911 and a = 3.904 according to the Poisson’s ratio). The origin was defined at the Sr position. Given errors correspond to 1σ uncertainty. The refinement includes measurements of spectra for six reflections (see Fig. 4)
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