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The crystal structure and lattice parameters of some rare earth mono-seleno oxides
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In TbSmSeO2, Tb3+ and Sm3+ are predicted to be on separate crystallographic sites, making the compound non-centrosymmetric in space group P3m1 with a ≈ 3.91 Å and c ≈ 6.92 Å; the disordered structure of (Tb/Sm)SeO2 would be isomorphous with the known centrosymmetric P3̅m1 structure of La2SeO2.
“in TbSmSeO2 (mp-3169970), the Tb3+ and Sm3+ cations are predicted to be on separate crystallographic sites, even though their charges are the same and their 6-coordinate ionic radii are very similar (0.92 and 0.96 Å, respectively). Because of the ordering, the compound is proposed to be non-centrosymmetric in space group P3m1 with a ≈ 3.91 Å and c ≈ 6.92 Å.”
From Artificial Intelligence Driving Materials Discovery? Perspective on the Article: Scaling Deep Learning for Materials Discovery (2024) · cites this paper as [9]
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Cheetham, A. K., & Seshadri, R. (2024) · Chemistry of Materials · doi:10.1021/acs.chemmater.4c00643 · Cited by 191
Metadata
- Authors
- Eick, H. A.
- Corresponding author
- Eick, H. A.
- Venue
- Acta Crystallographica
- Published
- 1960-02-01
- Volume
- 13
- Issue
- 2
- Pages
- 161-161
- ISSN
- 0365-110X (ISSN-L)
- OpenAlex
- W1984199449
- Cited by
- 38
- References
- 0
- Citations by year
- 2025: 2 · 2024: 2 · 2023: 2 · 2022: 3 · 2021: 2 · 2020: 1 · 2019: 2 · 2017: 1 · 2016: 2 · 2015: 1 · 2014: 1 · 2013: 1 · 2012: 2
- FWCI
- 0.00
- Type
- journal article
- Language
- en
- Open access
- closed
- Licence
- Locations
- Acta Crystallographica (publishedVersion)
- Topics
- Physical Sciences › Materials Science › Electronic, Optical and Magnetic Materials › Crystal Structures and Properties
- Physical Sciences › Chemistry › Inorganic Chemistry › Crystal structures of chemical compounds
- Physical Sciences › Materials Science › Materials Chemistry › X-ray Diffraction in Crystallography
- Keywords
- crystal structure, lattice parameters, rare earth selenides
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