Protonated Forms of Layered Perovskite-Like Titanate NaNdTiO4: Neutron and X-ray Diffraction Structural Analysis
Abstract
:1. Introduction
2. Materials and Methods
2.1. Synthesis
2.2. Instrumentation
3. Results and Discussion
4. Conclusions
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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H0.7Na0.3NdTiO4·0.3H2O Tetragonal System, I4/mmm, a = b = 3.7359 Å, c = 27.613 Å, Rwp = 0.1137, R(F2) = 0.0854 | ||||||
---|---|---|---|---|---|---|
Ion | Position | x | y | z | Uiso | Occupancy |
Na | 4e | 0 | 0 | 0.4225 (25) | 0.043 (10) | 0.265 (14) |
Nd | 4e | 0 | 0 | 0.30010 (7) | 0.0006 (25) | 1 |
Ti | 4e | 0 | 0 | 0.12489 (17) | 0.004 (5) | 1 |
O1 | 4e | 0 | 0 | 0.0551 (7) | 0.0036 (34) | 1 |
O2 | 8g | 0 | 0.5 | 0.13925 (34) | 0.0084 (26) | 1 |
O3 | 4e | 0 | 0 | 0.2048 (9) | 0.015 (4) | 1 |
Ow | 8j | 0.388 (17) | 0.5 | 0.0 | 0.025 | 0.314 (14) |
HNdTiO4 Tetragonal system, P4/nmm a = b = 3.6983 Å, c = 12.0928 Å, Rwp = 0.0253, R(F2) = 0.0627 | ||||||
---|---|---|---|---|---|---|
Ion | Position | x | y | z | Uiso | Occupancy |
H | 16e | 0.434 (12) | 0.133 (12) | 0.4966 (25) | 0.045 (13) | 0.125 |
Nd | 2e | 0.25 | 0.25 | 0.8834 (5) | 0.0001 (13) | 1 |
Ti | 2e | 0.25 | 0.25 | 0.2928 (8) | 0.0152 (35) | 1 |
O1 | 4g | 0.25 | 0.75 | 0.2490 (5) | 0.0093 (15) | 1 |
O2 | 2e | 0.25 | 0.25 | 0.0759 (6) | 0.0093 (15) | 1 |
O3 | 2e | 0.25 | 0.25 | 0.4425 (8) | 0.0177 (23) | 1 |
HNdTiO4 | DNdTiO4 | ||
---|---|---|---|
Bond | Length, Å | Bond | Length, Å |
H–O3 8x | 0.919 | D–O3 8x | 0.932 |
Ti–O3 1x | 1.810 | Ti–O3 1x | 1.789 |
Ti–O1 4x | 1.923 | Ti–O1 4x | 1.919 |
Ti–O2 1x | 2.623 | Ti–O2 1x | 2.633 |
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Silyukov, O.I.; Kurnosenko, S.A.; Minich, I.A.; Rodionov, I.A.; Zvereva, I.A. Protonated Forms of Layered Perovskite-Like Titanate NaNdTiO4: Neutron and X-ray Diffraction Structural Analysis. Solids 2021, 2, 265-277. https://doi.org/10.3390/solids2030017
Silyukov OI, Kurnosenko SA, Minich IA, Rodionov IA, Zvereva IA. Protonated Forms of Layered Perovskite-Like Titanate NaNdTiO4: Neutron and X-ray Diffraction Structural Analysis. Solids. 2021; 2(3):265-277. https://doi.org/10.3390/solids2030017
Chicago/Turabian StyleSilyukov, Oleg I., Sergey A. Kurnosenko, Iana A. Minich, Ivan A. Rodionov, and Irina A. Zvereva. 2021. "Protonated Forms of Layered Perovskite-Like Titanate NaNdTiO4: Neutron and X-ray Diffraction Structural Analysis" Solids 2, no. 3: 265-277. https://doi.org/10.3390/solids2030017