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New insights into BaTi1–xSnxO3 (0 ≤ x ≤ 0.20) phase diagram from neutron diffraction data

Authorized Users Only
2016
Authors
Veselinović, Ljiljana
Mitrić, Miodrag
Avdeev, Maxim
Marković, Smilja
Uskoković, Dragan
Article (Published version)
Metadata
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Abstract
Neutron powder diffraction (NPD) was employed to further investigate the BaTi1−xSnxO3 (BTS) system previously studied by X-ray diffraction. The room-temperature phase compositions and crystal structures of BTS samples with x = 0, 0.025, 0.05, 0.07, 0.10, 0.12, 0.15 and 0.20 were refined by the Rietveld method using NPD data. It is well known that barium titanate powder (x = 0) crystallizes in the tetragonal P4mm space group. The crystal structures of the samples with 0.025 ≤ x ≤ 0.07 were refined as mixtures of P4mm and Amm2 phases; those with x = 0.1 and 0.12 show the coexistence of rhombohedral R3m and cubic phases, while the samples with x = 0.15 and 0.20 crystallize in a single cubic [Pm3m] phase. Temperature-dependent NPD was used to characterize the BaTi0.95Sn0.05O3 sample at 273, 333 and 373 K, and it was found to form single-phase Amm2, P4mm and [Pm3m] structures at these respective temperatures. The NPD results are in agreement with data obtained by differential scanning calor...imetry and dielectric permittivity measurements, which show a paraelectric–ferroelectric transition (associated with structural transition) from [Pm3m] to P4mm at about 353 K followed by a P4mm to Amm2 phase transition at about 303 K.

Keywords:
barium titanate stannate / neutron powder diffraction / Rietveld refinement
Source:
Journal of Applied Crystallography, 2016, 49, 1726-1733
Publisher:
  • International Union of Crystallography
Funding / projects:
  • Molecular designing of nanoparticles with controlled morphological and physicochemical characteristics and functional materials based on them (RS-45004)

DOI: 10.1107/S1600576716013157

ISSN: 1600-5767

WoS: 000388354800037

Scopus: 2-s2.0-84989828258
[ Google Scholar ]
15
13
Handle
https://hdl.handle.net/21.15107/rcub_dais_2328
URI
https://dais.sanu.ac.rs/123456789/2328
Collections
  • ИТН САНУ - Општа колекција / ITS SASA - General collection
Institution/Community
Институт техничких наука САНУ / Institute of Technical Sciences of SASA
TY  - JOUR
AU  - Veselinović, Ljiljana
AU  - Mitrić, Miodrag
AU  - Avdeev, Maxim
AU  - Marković, Smilja
AU  - Uskoković, Dragan
PY  - 2016
UR  - https://dais.sanu.ac.rs/123456789/2328
AB  - Neutron powder diffraction (NPD) was employed to further investigate the BaTi1−xSnxO3 (BTS) system previously studied by X-ray diffraction. The room-temperature phase compositions and crystal structures of BTS samples with x = 0, 0.025, 0.05, 0.07, 0.10, 0.12, 0.15 and 0.20 were refined by the Rietveld method using NPD data. It is well known that barium titanate powder (x = 0) crystallizes in the tetragonal P4mm space group. The crystal structures of the samples with 0.025 ≤ x ≤ 0.07 were refined as mixtures of P4mm and Amm2 phases; those with x = 0.1 and 0.12 show the coexistence of rhombohedral R3m and cubic phases, while the samples with x = 0.15 and 0.20 crystallize in a single cubic [Pm3m] phase. Temperature-dependent NPD was used to characterize the BaTi0.95Sn0.05O3 sample at 273, 333 and 373 K, and it was found to form single-phase Amm2, P4mm and [Pm3m] structures at these respective temperatures. The NPD results are in agreement with data obtained by differential scanning calorimetry and dielectric permittivity measurements, which show a paraelectric–ferroelectric transition (associated with structural transition) from [Pm3m] to P4mm at about 353 K followed by a P4mm to Amm2 phase transition at about 303 K.
PB  - International Union of Crystallography
T2  - Journal of Applied Crystallography
T1  - New insights into BaTi1–xSnxO3 (0 ≤ x ≤ 0.20) phase diagram from neutron diffraction data
SP  - 1726
EP  - 1733
VL  - 49
DO  - 10.1107/S1600576716013157
UR  - https://hdl.handle.net/21.15107/rcub_dais_2328
ER  - 
@article{
author = "Veselinović, Ljiljana and Mitrić, Miodrag and Avdeev, Maxim and Marković, Smilja and Uskoković, Dragan",
year = "2016",
abstract = "Neutron powder diffraction (NPD) was employed to further investigate the BaTi1−xSnxO3 (BTS) system previously studied by X-ray diffraction. The room-temperature phase compositions and crystal structures of BTS samples with x = 0, 0.025, 0.05, 0.07, 0.10, 0.12, 0.15 and 0.20 were refined by the Rietveld method using NPD data. It is well known that barium titanate powder (x = 0) crystallizes in the tetragonal P4mm space group. The crystal structures of the samples with 0.025 ≤ x ≤ 0.07 were refined as mixtures of P4mm and Amm2 phases; those with x = 0.1 and 0.12 show the coexistence of rhombohedral R3m and cubic phases, while the samples with x = 0.15 and 0.20 crystallize in a single cubic [Pm3m] phase. Temperature-dependent NPD was used to characterize the BaTi0.95Sn0.05O3 sample at 273, 333 and 373 K, and it was found to form single-phase Amm2, P4mm and [Pm3m] structures at these respective temperatures. The NPD results are in agreement with data obtained by differential scanning calorimetry and dielectric permittivity measurements, which show a paraelectric–ferroelectric transition (associated with structural transition) from [Pm3m] to P4mm at about 353 K followed by a P4mm to Amm2 phase transition at about 303 K.",
publisher = "International Union of Crystallography",
journal = "Journal of Applied Crystallography",
title = "New insights into BaTi1–xSnxO3 (0 ≤ x ≤ 0.20) phase diagram from neutron diffraction data",
pages = "1726-1733",
volume = "49",
doi = "10.1107/S1600576716013157",
url = "https://hdl.handle.net/21.15107/rcub_dais_2328"
}
Veselinović, L., Mitrić, M., Avdeev, M., Marković, S.,& Uskoković, D.. (2016). New insights into BaTi1–xSnxO3 (0 ≤ x ≤ 0.20) phase diagram from neutron diffraction data. in Journal of Applied Crystallography
International Union of Crystallography., 49, 1726-1733.
https://doi.org/10.1107/S1600576716013157
https://hdl.handle.net/21.15107/rcub_dais_2328
Veselinović L, Mitrić M, Avdeev M, Marković S, Uskoković D. New insights into BaTi1–xSnxO3 (0 ≤ x ≤ 0.20) phase diagram from neutron diffraction data. in Journal of Applied Crystallography. 2016;49:1726-1733.
doi:10.1107/S1600576716013157
https://hdl.handle.net/21.15107/rcub_dais_2328 .
Veselinović, Ljiljana, Mitrić, Miodrag, Avdeev, Maxim, Marković, Smilja, Uskoković, Dragan, "New insights into BaTi1–xSnxO3 (0 ≤ x ≤ 0.20) phase diagram from neutron diffraction data" in Journal of Applied Crystallography, 49 (2016):1726-1733,
https://doi.org/10.1107/S1600576716013157 .,
https://hdl.handle.net/21.15107/rcub_dais_2328 .

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