Crystallography Open Database

Information card for entry 2300743

Preview

Coordinates	2300743.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Perovskite
Chemical name	Lead Calcium Titanate
Formula	Ca0.45 O3 Pb0.55 Ti
Calculated formula	Ca0.45 O3 Pb0.55 Ti
Title of publication	Polar orientation and extension in a novel crystallographic model for PbTiO3-based perovskites explaining the experimental ferroelectric thermal anomalies
Authors of publication	Estrada, Flávia Regina; Moreno-Gobbi, Ariel; Damjanovic, Dragan; Garcia, Ducinei
Journal of publication	Journal of Applied Crystallography
Year of publication	2024
Journal volume	57
Journal issue	3
Pages of publication	808 - 817
a	7.777666 ± 0.000014 Å
b	5.518537 ± 0.000014 Å
c	5.527827 ± 0.000017 Å
α	90°
β	90°
γ	90°
Cell volume	237.262 ± 0.001 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Ambient diffracton pressure	100 kPa
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Weighted residual factors for significantly intense reflections	0.05438
RFsqd	0.09423
Goodness-of-fit parameter for all reflections	0.875
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.03211 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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