Synthesis and structure of CsTi5Te8: Relation to the TlV5S8, TlCr3S5, and similar channel structures

Gray, Danielle L.; Ibers, James A.

doi:10.1016/j.jallcom.2006.09.022

Cited by 12 publications

(9 citation statements)

References 15 publications

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“…43 However, Ti 4+ −Te distances in TiTe 2 (2.770(1) Å), 44 TiZrTe 4 (2.754(1)−2.759(1) Å), 45 Cu 2 TiTe 3 (2.647(1)−2.967(1) Å), 46 and TlCuTiTe 3 (2.678(4)−2.838(4) Å) 47 are close to these Ti 2+ −Te distances where the Ti atom is also octahedrally coordinated. The Ti 3+ −Te distances in CsTi 5 Te 8 (2.7961(5)−2.8374(7) Å) 48 and LiTiTe 2 (2.804(1) Å) 49 are also comparable. Thus, it is not possible to assign an oxidation state to Ti in Ba 2 TiUTe 7 on the basis of interatomic distances.…”

Section: ■ Results and Discussionmentioning

confidence: 85%

“…On this basis Ti 3+ seems more likely in Ba 2 TiUTe 7 , and this leads to an average charge of −1.25 e – on each Te atom of the linear Te chain. In fact there are known Ti tellurides containing Ti 3+ , for example CsTi 5 Te 8 and LiTiTe 2 . By implication Ba 2 CrAnTe 7 (An = Th and U) would contain Cr 3+ , which is the commonly occurring oxidation state in chromium tellurides, examples being CrTe 3 , Cr 2 Te 3 , Cr 2 Ge 2 Te 6 , CrAuTe 4 , TlCrTe 2 , and TlCr 5 Te 8 .…”

Section: Resultsmentioning

confidence: 99%

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Three New Quaternary Actinide Chalcogenides Ba₂TiUTe₇, Ba₂CrUTe₇, and Ba₂CrThTe₇: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies

et al. 2015

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The three new quaternary actinide chalcogenides Ba2TiUTe7, Ba2CrUTe7, and Ba2CrThTe7 have been synthesized. From single-crystal X-ray diffraction studies these isostructural compounds are found to crystallize in a new structure type in space group D2h16–Pnma of the orthorhombic system. The structure features ∞1[MAnTe74–] strips (M = Cr or Ti; An = Th or U) that propagate in the b-direction and are separated by Ba cations. An atoms are coordinated to eight Te atoms in a bicapped trigonal-prismatic geometry while M atoms are octahedrally coordinated to six Te atoms. Sharing of the AnTe8 and MTe6 polyhedra forms ∞1[MAnTe74–] strips. The presence of the infinite linear Te–Te–Te chains in these compounds makes assignment of oxidation states arbitrary. Resistivity measurements and DFT calculations provide further insight into the properties of these compounds.

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Section: ■ Results and Discussionmentioning

confidence: 85%

Section: Resultsmentioning

confidence: 99%

Three New Quaternary Actinide Chalcogenides Ba₂TiUTe₇, Ba₂CrUTe₇, and Ba₂CrThTe₇: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies

et al. 2015

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“…While exploring the Ba–Th–M–Te (M = Cu/Ag) system, we discovered black plate-shaped single crystals of BaCu x Te 2 and BaAg x Te 2 in the reactions of the elements at 1173 K. The yields of these two phases were around 30% on the basis of M. The Th-free reaction for the BaAg x Te 2 phase using the same reaction conditions did produce the desired BaAg x Te 2 phase, but the quality of the crystals was poor. In contrast, the BaCu x Te 2 crystals could not be reproduced using the Th-free reaction of Ba, Cu, and Te. ,− The crystals of BaM x Te 2 were stable in air for at least 1 week. To study the stability of these phases, the syntheses of polycrystalline samples of BaCu x Te 2 ( x = 0.85, 0.70, 0.55, and 0.43) and BaAg x Te 2 ( x = 1.0, 0.9, and 0.8) were attempted by reactions of the elements using a two-step sealed tube method.…”

Section: Resultsmentioning

confidence: 98%

“…Such is the case here where we present the syntheses, modulated crystal structures, Raman spectroscopy, optical properties, and electronic properties of two new compounds BaCu x Te 2 and BaAg x Te 2 , which were discovered serendipitously while exploring the Ba–Th–Cu/Ag–Te systems. BaCu x Te 2 could only be prepared with the assistance of Th. ,− …”

Section: Introductionmentioning

confidence: 99%

Ternary Chalcogenides BaM_xTe₂ (M = Cu, Ag): Syntheses, Modulated Crystal Structures, Optical Properties, and Electronic Calculations

et al. 2020

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Standard solid-state methods produced black crystals of the compounds BaCu0.43(3)Te2 and BaAg0.77(1)Te2 at 1173 K; the crystal structures of each were established using single-crystal X-ray diffraction data. Both crystal structures are modulated. The compound BaCu0.43(3)Te2 crystallizes in the monoclinic superspace group P2(αβ1/2)0 having cell dimensions a = 4.6406(5) Å, b = 4.6596(5) Å, c = 10.362(1) Å, Z = 2, and an incommensurate vector q = 0.3498(6)b* + 1/2c*. The compound BaAg0.77(1)Te2 crystallizes in the orthorhombic P21212(α00)000 superspace group with cell dimensions a = 4.6734(1) Å, b = 4.6468(1) Å, c = 11.1376(3) Å, Z = 2, and an incommensurate vector q = 0.364(2)a*. The asymmetric unit of the BaCu0.43(3)Te2 structure comprises eight crystallographically independent sites; that for BaAg0.77(1)Te2 comprises four. In these two structures each of the M (= Cu, Ag) atoms is connected to four Te atoms to make two-dimensional layers of [MxTe4/4] n− that are separated by layers of Ba atoms and square nets of Te. A Raman spectroscopic study at 298(2) K on a pelletized polycrystalline sample of BaAg0.8Te2 shows the presence of Ag−Te (83, 116, and 139 cm −1) and Ba−Te vibrations (667 cm −1 and 732cm −1). A UV−vis-NIR spectroscopic study on a powdered sample of BaAg0.8Te2 shows the semiconducting nature of the compound with a direct band gap of 1.0(2) eV consistent with its black color. DFT calculations give a pseudo bandgap with a weak value of the DOS at the Fermi level.

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“…Cs 3 Ti 3 Te 11 is a semiconductor according to resistivity measurements from 77 K to room temperature. CsTi 5 Te 8 was obtained starting from Cs 2 Te 3 and the elements heated at 900 °C assisted with U and CsCl for better yield. K 2 ZrTe 3 and Rb 2 ZrTe 3 were prepared from A 2 Te ( A = K, Rb), Zr, and Te at 1000 °C in the form of needles with metallic luster.…”

Section: Compositions Synthesis and Propertiesmentioning

confidence: 99%

Active-Transition-Metal Tellurides: Through Crystal Structures to Physical Properties

Smetana

Wilk-Kozubek

Mudring

2019

Crystal Growth & Design

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Materials showing thermoelectric properties known as thermoelectrics can reversibly convert a temperature gradient into electricity. Since the vast majority of energy we use comes from thermal processes or creates thermal energy as waste energy, the search for materials able to efficiently convert thermal energy is of extreme importance. The discovery of a new, highly efficient thermoelectric material is complicated due to the special requirements imposed on the combination of electrical and thermal transport properties. Metal chalcogenides (MCs) have attracted significant attention as high performance thermoelectric materials. Their subgroup, active-transition-metal chalcogenides, shows structural and compositional diversity, including a wide occurrence of low-dimensional structural motifs, which opens up a fruitful area for explorations. This area has been preliminarily explored from both structural and functional viewpoints revealing very promising directions and unique compounds. Nevertheless, systematic investigations on transport properties are still missing. Available data suggests the presence of low bandgap semiconductors satisfying at least one of the conditions for a good thermoelectric, whereas the potential for structural and electronic variation in the form of active metal doping and substitution leaves a decent chance to uncover a candidate with acceptably low thermal conductivity and subsequently high thermoelectric performance.

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Synthesis and structure of CsTi5Te8: Relation to the TlV5S8, TlCr3S5, and similar channel structures

Cited by 12 publications

References 15 publications

Three New Quaternary Actinide Chalcogenides Ba₂TiUTe₇, Ba₂CrUTe₇, and Ba₂CrThTe₇: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies

Three New Quaternary Actinide Chalcogenides Ba₂TiUTe₇, Ba₂CrUTe₇, and Ba₂CrThTe₇: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies

Ternary Chalcogenides BaM_xTe₂ (M = Cu, Ag): Syntheses, Modulated Crystal Structures, Optical Properties, and Electronic Calculations

Active-Transition-Metal Tellurides: Through Crystal Structures to Physical Properties

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Synthesis and structure of CsTi5Te8: Relation to the TlV5S8, TlCr3S5, and similar channel structures

Cited by 12 publications

References 15 publications

Three New Quaternary Actinide Chalcogenides Ba2TiUTe7, Ba2CrUTe7, and Ba2CrThTe7: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies

Three New Quaternary Actinide Chalcogenides Ba2TiUTe7, Ba2CrUTe7, and Ba2CrThTe7: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies

Ternary Chalcogenides BaMxTe2 (M = Cu, Ag): Syntheses, Modulated Crystal Structures, Optical Properties, and Electronic Calculations

Active-Transition-Metal Tellurides: Through Crystal Structures to Physical Properties

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Three New Quaternary Actinide Chalcogenides Ba₂TiUTe₇, Ba₂CrUTe₇, and Ba₂CrThTe₇: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies

Three New Quaternary Actinide Chalcogenides Ba₂TiUTe₇, Ba₂CrUTe₇, and Ba₂CrThTe₇: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies

Ternary Chalcogenides BaM_xTe₂ (M = Cu, Ag): Syntheses, Modulated Crystal Structures, Optical Properties, and Electronic Calculations