Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7043111
Preview
Coordinates | 7043111.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Nb0.4 O3 Sr0.8 Ti0.24 Zr0.36 |
---|---|
Calculated formula | Nb0.4 O3 Sr0.8 Ti0.24 Zr0.36 |
Title of publication | Tailoring phase transition temperatures in perovskites via A-site vacancy generation |
Authors of publication | Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 5.664962 ± 0.000009 Å |
b | 5.664962 ± 0.000009 Å |
c | 8.01659 ± 0.00002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 257.267 ± 0.0009 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 140 |
Hermann-Mauguin space group symbol | I 4/m c m |
Hall space group symbol | -I 4 2c |
Residual factor for all reflections | 0.0202 |
Residual factor for significantly intense reflections | 0.0199 |
Weighted residual factors for all reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.0417 |
Goodness-of-fit parameter for all reflections | 4.72 |
Method of determination | powder diffraction |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.82647 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
196967 (current) | 2017-05-25 | cif/ Adding structures of 7043111 via cif-deposit CGI script. |
7043111.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.