Structure du sulfur d'ytterbium, Yb2S3

Fadli, Z. El; Lemoine, Pierric; Guittard, M.; Tomas, Α.

doi:10.1107/s0108270193006705

Cited by 4 publications

(1 citation statement)

References 5 publications

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“…The chalcogenides Ln 2 Q 3 (Ln = lanthanide, Q = chalcogen) adopt different structure types depending on the radius of the lanthanide. The large lanthanide chalcogenides prefer the defect variant of the Th 3 P 4 type (Mauricot et al, 1995), whereas the smaller ones crystallize in the α-Al 2 O 3 (El Fadli et al, 1994) and Sc 2 S 3 types (Dismukes & White, 1965;Flahaut et al, 1965).…”

Section: Tablementioning

confidence: 99%

The sesquitelluride Sc₂Te₃

Assoud¹,

Kleinke²

2005

Acta Cryst E

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Section: Tablementioning

confidence: 99%

The sesquitelluride Sc₂Te₃

Assoud¹,

Kleinke²

2005

Acta Cryst E

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ChemInform Abstract: Structure of the Ytterbium Sulfide Yb2S3.

Fadli¹,

Lemoine²,

Guittard³

et al. 1994

ChemInform

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Prediction of an U ₂ S ₃ -type polymorph of Al ₂ O ₃ at 3.7 Mbar

Umemoto

Wentzcovitch

2008

Proc. Natl. Acad. Sci. U.S.A.

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We predict by first principles a phase transition in alumina at Ϸ3.7 Mbar and room temperature from the CaIrO 3-type polymorph to another with the U 2S3-type structure. Because alumina is used as window material in shock-wave experiments, this transformation should be important for the analysis of shock data in this pressure range. Comparison of our results on all high-pressure phases of alumina with shock data suggests the presence of two phase transitions in shock experiments: the corundum to Rh 2O3(II)-type structure and the Rh 2O3(II)-type to CaIrO3-type structure. The transformation to the U 2S3-type polymorph is in the pressure range reached in the mantle of recently discovered terrestrial exoplanets and suggests that the multi-megabar crystal chemistry of planetforming minerals might be related to that of the rare-earth sulfides.alumina ͉ first-principles calculation ͉ high-pressure phase transition ͉ postperovskite ͉ rare-earth sulfide structure A lumina, Al 2 O 3 , is an important compound in high-pressure technology and geophysics. It is used as window material in shock-wave experiments (1). Ruby, Al 2 O 3 doped with chromium, serves as a pressure calibrant in diamond-anvil-cell experiments (2). In the Earth's mantle, Al 2 O 3 is a major chemical component in solid solution with MgSiO 3 garnet, perovskite (PV), and postperovskite (PPV). This formation of solid solutions with alumina changes the properties of the pure phases, such as their equations of state, thermoelastic properties, phase boundaries, electrical conductivity, oxidation, and spin states of iron impurities in MgSiO 3 , etc. (e.g., refs. 3-9).The experimental and theoretical literature on phase transitions in Al 2 O 3 is quite extensive (10-19). Two pressure-induced transitions have been predicted theoretically (10)(11)(12)(16)(17)(18) and confirmed experimentally (13)(14)(15)19): from corundum (space group R3 c), the stable ambient form, to the Rh 2 O 3 (II)-type structure (space group Pbcn) at Ϸ80-100 GPa and then to the CaIrO 3 -type PPV structure (space group Cmcm) at Ϸ130 GPa. These pressures are realized in the Earth's mantle. The CaIrO 3 -type polymorph is the highest-pressure form identified experimentally so far for both Al 2 O 3 and MgSiO 3 . A phase transition in the CaIrO 3 -type phase in Al 2 O 3 or MgSiO 3 should change the properties of their solid solution, a key input in the modeling of planetary interiors. A first-principles study predicted the dissociation of CaIrO 3 -type MgSiO 3 into CsCl-type MgO and cotunnite-type SiO 2 at Ϸ1.1 TPa (20), a pressure relevant for the giant planets and exoplanets. The same type of dissociation was also predicted for NaMgF 3 , a low-pressure analog of MgSiO 3 (21). However, CaIrO 3 -type Al 2 O 3 is expected to undergo a nondissociative post-PPV transition because the equivalent dissociation products (AlO and AlO 2 ) are unlikely to form. Here, we report the first-principles prediction of a phase transition in Al 2 O 3 from the CaIrO 3 -type polymorph to another with the U 2 S 3 -type s...

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Structure du sulfur d'ytterbium, Yb2S3

Cited by 4 publications

References 5 publications

The sesquitelluride Sc₂Te₃

The sesquitelluride Sc₂Te₃

ChemInform Abstract: Structure of the Ytterbium Sulfide Yb2S3.

Prediction of an U ₂ S ₃ -type polymorph of Al ₂ O ₃ at 3.7 Mbar

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Structure du sulfur d'ytterbium, Yb2S3

Cited by 4 publications

References 5 publications

The sesquitelluride Sc2Te3

The sesquitelluride Sc2Te3

ChemInform Abstract: Structure of the Ytterbium Sulfide Yb2S3.

Prediction of an U 2 S 3 -type polymorph of Al 2 O 3 at 3.7 Mbar

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The sesquitelluride Sc₂Te₃

The sesquitelluride Sc₂Te₃

Prediction of an U ₂ S ₃ -type polymorph of Al ₂ O ₃ at 3.7 Mbar