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Langenmaier, Michael; Brantl, Julian; Röhr, Caroline

doi:10.1016/j.jssc.2020.121455

Cited by 4 publications

(5 citation statements)

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“…The Sc–Se bond distance of 2.7203(5) Å in the NaScSe 2 structure is in good agreement with the corresponding distances found in the octahedral ScSe 6 units of the related structures like PbSc 2 Se 4 (2.66(1)–2.75(1) Å) 49 and ScAgSe 2 (2.730(2) Å). 50 The longer Na–Se distance of 2.9814(4) Å in the NaScSe 2 structure suggests predominant ionic interactions between Na and Se atoms and is comparable to those found in the NaCu 4 Se 3 (2.999(6) Å) 51 and Na 3 MnInSe 4 (2.876(1)–3.173(1) Å) 52 structures.…”

Section: Resultssupporting

confidence: 58%

Syntheses and characterization of two new layered ternary chalcogenides NaScQ₂ (Q = Se and Te)

et al. 2022

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Section: Resultssupporting

confidence: 58%

Syntheses and characterization of two new layered ternary chalcogenides NaScQ₂ (Q = Se and Te)

et al. 2022

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“…It is to be noted here that we also noticed an article with a similar composition to Na 3 ZnGa Q 4 ; however, the authors of the article did not interpret them as interpenetrating . Recently, an isostructural Na 3 MnInS 4 has been reported in which In and Mn occupy the same site with 50:50% occupancies …”

Section: Resultsmentioning

confidence: 49%

High Sodium-Ion Conductivity in Interlocked Quaternary Chalcogenides Built with Supertetrahedral Building Units

Balijapelly

Zhang

Sandineni

et al. 2021

ACS Appl. Energy Mater.

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Herein, we report the syntheses, structure, Na-ion conductivity, and theoretical investigation of two moisture stable quaternary compounds, Na3ZnGaQ 4 (Q = S, Se). These compounds are synthesized using high-temperature solid-state synthesis routes employing polychalcogenide flux or by metathesis reactions. The crystal structure of these compounds is built up of a three-dimensional (3-D) network of corner-shared supertetrahedral (T2) units, where two such 3-D networks are interlocked. The d-block metal and the main group metal, Ga, occupy the same crystallographic site with a 1:1 ratio, making it a rare form of building unit. Band structure calculations show that both the compounds are wide band gap semiconductors with band gaps of 2.25 and 1.61 eV, respectively, for Na3ZnGaS4 (I) and Na3ZnGaSe4 (II), which are slightly underestimated compared to experimentally determined band gaps of 3.0 and 1.90 eV, respectively. I and II possess ionic conductivities of 3.74 × 10–4 and 0.12 mS/cm with activation energies of 0.42 and 0.38 eV, respectively, at 30 °C. Interestingly, I shows a significantly high ionic conductivity of 0.13 mS/cm at 30 °C upon exposure to air, which could be due to water adsorption on the surface or occlusion in the grain boundaries. Assuming the vacancy-assisted diffusion mechanism for ionic conductance, this difference is consistent with the difference on vacancy formation energies in these compounds, as predicted by DFT calculations. The bond valence sum map indicates that in both structures, the lowest energy diffusion path is one dimensional and it is along the c axis of the unit cell.

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“…The orthorhombic Na 5 [GaO 4 ]-type structure (5) occurs for most sodium, the only known potassium and rubidium oxido metallates, but also for the sulfide Na 5 [FeS 4 ]. The structure, commonly described by an α-U packing of the whole metallate tetrahedra, exhibits considerably distorted 4-6 CCPs and the ECoN(A) values of the observed structures span a larger range from 3.34 to 5.48 ( Table 3) coordination number (17)(18)(19). It can be expected, that the yet unexplored rubidium and cesium sulfido, selenido and tellurido salts, which are in the same region of r Q 2-:r A + (1.0-1.4) also exist and show a comparable structure chemistry.…”

Section: Crystal Chemistry Of Alkali Ortho Metallates(iii) a 5 [Mq 4 ]mentioning

confidence: 99%

“…The structure, commonly described by an α-U packing of the whole metallate tetrahedra, exhibits considerably distorted 4-6 CCPs and the ECoN(A) values of the observed structures span a larger range from 3.34 to 5.48 (Table 3). The CN(MQ 4 ) of 14 allows for an "ideal" coordination of the ortho anion coordination number (17)(18)(19). It can be expected, that the yet unexplored rubidium and cesium sulfido, selenido and tellurido salts, which are in the same region of r Q 2-:r A + (1.0-1.4) also exist and show a comparable structure chemistry.…”

Section: Crystal Chemistry Of Alkali Ortho Metallates(iii) a 5 [Mq 4 ]mentioning

confidence: 99%

“…shown by the successful synthesis of the new compounds with the 3:2:4 (for A:M:Q) composition (i.e. the cluster/chain ferrates family, [17,18] ) as well as by the preparation of compounds containing the heterobimetallic dimers [Mn II In III (S/Se) 6 ] 5-. [19] In the course of this work it became apparent, that even the simple A-rich S/Se/Te indates(III) (and their Al and Ga analogs) as well as the respective manganates(II) are scarcely investigated.…”

Section: Introductionmentioning

confidence: 99%

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K₅[InSe₄] and K₁₂[InS₄]₂(S): New Alkali Chalcogenido Indates with [InQ₄]⁵^–ortho Anions

Langenmaier

Wissinger

Röhr

2020

Zeitschrift anorg allge chemie

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The new chalcogenido ortho indates(III) K 5 [InSe 4 ] and K 12 [InS 4 ] 2 (S) were synthesized from melts of the elements (Se) [or with S/In 2 S 3 as chalcogen source] at maximum temperatures of 700/ 800°C. The two potassium salts, which were characterized by means of X-ray single crystal structure analysis, contain isolated tetrahedral ortho anions [InQ 4 ] 5-. K 5 [InSe 4 ] crystallizes in a new structure type [monoclinic, space group C2/c, a = 2014.2(2), b = 1553.1(2), c = 1661.1(2) pm, β = 94.716(2)°, Z = 16, R 1 = 0.0317]. The complex structure contains two crystallographically different [InSe 4 ] 5tetrahedra [d(In•••Se) = 254.3-263.6 pm], which are arranged into 4 4 [In(1), A] and 3 2 .4.3.4 [In(2), B] nets. These nets are |:ABAЈBЈ:| stacked along the a axis. The 11 crystallographically independent K + ions are coordinated by four (1ϫ), five (3ϫ) and six (7ϫ) selenido anions [d(K-Se) = 309-415 pm]. The crystal structure and the calculated electronic structure of the pure ortho indate K 5 [InSe 4 ] are compared with the known "double salts" K 9 [InSe 4 ] 2 (Se) and K 9 [InSe 4 ](Se 2)(Se),

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Mixed Mn/In chalcogenides A3(MnIIInIII)

Cited by 4 publications

References 63 publications

Syntheses and characterization of two new layered ternary chalcogenides NaScQ₂ (Q = Se and Te)

Syntheses and characterization of two new layered ternary chalcogenides NaScQ₂ (Q = Se and Te)

High Sodium-Ion Conductivity in Interlocked Quaternary Chalcogenides Built with Supertetrahedral Building Units

K₅[InSe₄] and K₁₂[InS₄]₂(S): New Alkali Chalcogenido Indates with [InQ₄]⁵^–ortho Anions

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Mixed Mn/In chalcogenides A3(MnIIInIII)

Cited by 4 publications

References 63 publications

Syntheses and characterization of two new layered ternary chalcogenides NaScQ2 (Q = Se and Te)

Syntheses and characterization of two new layered ternary chalcogenides NaScQ2 (Q = Se and Te)

High Sodium-Ion Conductivity in Interlocked Quaternary Chalcogenides Built with Supertetrahedral Building Units

K5[InSe4] and K12[InS4]2(S): New Alkali Chalcogenido Indates with [InQ4]5–ortho Anions

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Syntheses and characterization of two new layered ternary chalcogenides NaScQ₂ (Q = Se and Te)

Syntheses and characterization of two new layered ternary chalcogenides NaScQ₂ (Q = Se and Te)

K₅[InSe₄] and K₁₂[InS₄]₂(S): New Alkali Chalcogenido Indates with [InQ₄]⁵^–ortho Anions