Structure of RbNaS

Hippler, K.; Hitzbleck, R.-D.; Sitta, S.; Vogt, P.; Wortmann, R.; Sabrowsky, H.

doi:10.1107/s0108270190000075

Cited by 6 publications

(1 citation statement)

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“…Panels a and b of Figure show the structures of the eight-electron II-II-IV compound MgSrSi (part a) and the 18-electron IV-VII-VII compound PbClBr (part b) showing 1D Mg–Si and Pb–Cl ribbons, respectively, embedded in the 3D matrix formed by the third species. There are at least 45 previously explored intermetallic ABX compounds of I-I-VI composition, including, but not limited to, 13 oxides, − 13 sulfides, − 10 selenides, ,− and 9 tellurides. ,,, The structural motif of I-I-VI ABX compounds such as ACuTe (A = Na or K) has been observed within larger layered A-M-RE-Te 4 structures (A = Na or K; M = Cu or Ag; RE = La or Ce) . In these structures, the ACuTe motifs can be viewed as distinct layers inserted into the van der Waals gaps of the RE-Te 3 slabs.…”

Section: Introductionmentioning

confidence: 99%

Prediction and Synthesis of Strain Tolerant RbCuTe Crystals Based on Rotation of One-Dimensional Nano Ribbons within a Three-Dimensional Inorganic Network

Vermeer¹,

Zhang

Trimarchi³

et al. 2015

J. Am. Chem. Soc.

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A unique possibility for a simple strain tolerant inorganic solid is envisioned whereby a set of isolated, one-dimensional (1D) nano objects are embedded in an elastically soft three-dimensional (3D) atomic matrix thus forming an interdimensional hybrid structure (IDHS). We predict theoretically that the concerted rotation of 1D nano objects could allow such IDHSs to tolerate large strain values with impunity. Searching theoretically among the 1:1:1 ABX compounds of I-I-VI composition, we identified, via first-principles thermodynamic theory, RbCuTe, which is a previously unreported but now predicted-to-be-stable compound in the MgSrSi-type structure, in space group Pnma. The predicted structure of RbCuTe consists of ribbons of copper and telluride atoms placed antipolar to one another throughout the lattice with rubidium atoms acting as a matrix. A novel synthetic adaptation utilizing liquid rubidium and vacuum annealing of the mixed elemental reagents in fused silica tubes as well as in situ (performed at the Advanced Photon Source) and ex situ structure determination confirmed the stability and predicted structure of RbCuTe. First-principles calculations then showed that the application of up to ∼30% uniaxial strain on the ground-state structure result in a buildup of internal stress not exceeding 0.5 GPa. The increase in total energy is 15-fold smaller than what is obtained for the same RbCuTe material but in structures having a contiguous set of 3D chemical bonds spanning the entire crystal. Furthermore, electronic structure calculations revealed that the HOMO is a 1D energy band localized on the CuTe ribbons and that the 1D insulating band structure is also resilient to such large strains. This combined theory and experiment study reveals a new type of strain tolerant inorganic material.

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Section: Introductionmentioning

confidence: 99%

Prediction and Synthesis of Strain Tolerant RbCuTe Crystals Based on Rotation of One-Dimensional Nano Ribbons within a Three-Dimensional Inorganic Network

Vermeer¹,

Zhang

Trimarchi³

et al. 2015

J. Am. Chem. Soc.

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Darstellung und Charakterisierung von RbLiSe im Rahmen einer Struktursystematik für ternäre Interalkalimetallchalkogenide vom Formeltyp ABX

Winter

Feldbaum-Möller

Fischer

et al. 1996

Zeitschrift anorg allge chemie

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Professor Hanskarl Miiller-Buschbaum zum 65. Geburtstag gewidmet Inhaltsiibersicht. Im System Rb,Se/Li,Se wurde RbLiSe als einzige Phase gefunden. Mischkristallbildung konnte nicht beobachtet werden. Die gelbe, sehr hygroskopische Verbindung kristallisiert nach Einkristalluntersuchungen tetragonal in der Raumgruppe P4/nmm (Z = 2) rnit den Gitterkonstanten Preparation and Crystal Structure of RbLiSeAbstract. RbLiSe is in the system Rb,Se/Li,Se the only ternary phase without mixed crystals of the binary compounds. The single crystal X-ray investigation of this yellow hygroscopic compound leads to the tetragonal space group P4/nmm (Z = 2) with the lattice constants a = 461.6(1) and c = 748.2(3) pm. Its crystal structure confirms a simple rule of expected structure a = 461,6(1) und c = 748,2(3)pm. Als Vertreter des anti-PbFC1-Strukturtyps befolgt RbLiSe eine von uns empirisch ermittelte ,,Regel" zur Struktursystematik der ternaren Interalkalimetallchalkogenide des Formeltyps ABX. types for inter alkali metal chalcogenides of the general formula ABX.

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Three Inter‐Alkali Metal Acetylides: KNaC₂, KRbC₂, and NaRbC₂: Syntheses, Crystal Structures, and Structural Systematics

Liebig

Billetter

Wallraff

et al. 2015

Zeitschrift anorg allge chemie

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Structure of RbNaS

Cited by 6 publications

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Prediction and Synthesis of Strain Tolerant RbCuTe Crystals Based on Rotation of One-Dimensional Nano Ribbons within a Three-Dimensional Inorganic Network

Prediction and Synthesis of Strain Tolerant RbCuTe Crystals Based on Rotation of One-Dimensional Nano Ribbons within a Three-Dimensional Inorganic Network

Darstellung und Charakterisierung von RbLiSe im Rahmen einer Struktursystematik für ternäre Interalkalimetallchalkogenide vom Formeltyp ABX

Three Inter‐Alkali Metal Acetylides: KNaC₂, KRbC₂, and NaRbC₂: Syntheses, Crystal Structures, and Structural Systematics

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Structure of RbNaS

Cited by 6 publications

References 0 publications

Prediction and Synthesis of Strain Tolerant RbCuTe Crystals Based on Rotation of One-Dimensional Nano Ribbons within a Three-Dimensional Inorganic Network

Prediction and Synthesis of Strain Tolerant RbCuTe Crystals Based on Rotation of One-Dimensional Nano Ribbons within a Three-Dimensional Inorganic Network

Darstellung und Charakterisierung von RbLiSe im Rahmen einer Struktursystematik für ternäre Interalkalimetallchalkogenide vom Formeltyp ABX

Three Inter‐Alkali Metal Acetylides: KNaC2, KRbC2, and NaRbC2: Syntheses, Crystal Structures, and Structural Systematics

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Three Inter‐Alkali Metal Acetylides: KNaC₂, KRbC₂, and NaRbC₂: Syntheses, Crystal Structures, and Structural Systematics