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Information card for entry 2300743
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2300743.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Perovskite |
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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 Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2300743.html
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structural data.