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

Table 2 · Gateshki et al. 2004

Table 2 · Gateshki et al. 2004

status published · visibility public · id tbl:10.1088-0953-8984-16-37-001.2

Crystal structure data and refinement results for \mathrm{Sr}_{2} \mathrm{CaWO}_{6} at room temperature. The atomic positions (in fractional coordinates) and temperature factors were refined in the space group P 2_{1} / n. (Note: a=5.7672(1) \AA; b=5.8506(1) \AA; c=8.1931(1) \AA; \beta=90.165(1)^{\circ}; R_{\mathrm{p}}=9.94 \%; R_{\mathrm{wp}}=14.5 \%; R_{\text {exp }}=8.81 \%; \chi^{2}=2.70.)

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Gateshki et al. 2004
Table
2
Atom Site x y z B\left(\AA^{2}\right)
W 2a 0 0 0 0.01(2)
Ca 2b 0 0 1 / 2 0.12(6)
Sr 4e 0.0094(3) 0.5370(2) 0.2509(2) 0.46(3)
O1 4e 0.071(2) 0.025(1) -0.222(1) 0.3(1)
O2 4e 0.262(2) -0.177(2) 0.046(2) 0.3(1)
O3 4e 0.185(2) 0.263(1) 0.050(1) 0.3(1)

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