In Search of Aluminum Hexathiohypodiphosphate: Synthesis and Structures of ht‐AlPS4, lt‐AlPS4, and Al4(P2S6)3

Kuhn, Alexander; Eger, Roland; Ganter, Pirmin; Düppel, Viola; Nuß, Jürgen; Lotsch, Bettina V.

doi:10.1002/zaac.201400385

Cited by 20 publications

(33 citation statements)

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“…The structure features SiS 2 ‐like uni‐dimensional edge‐sharing tetrahedral chains, all oriented parallel along the c axis, as structural motifs. In contrast to ht‐AlPS 4 the B‐P sublattice in BPS 4 is substantially disordered from a crystallographic point of view. The mixed occupancies can be explained by translational inter‐chain disorder of intrinsically ordered chains.…”

Section: Discussionmentioning

confidence: 93%

“…BPS 4 is closely related with ht‐AlPS 4 (Figure ) and consists of SiS 2 ‐like uni‐dimensional edge‐sharing tetrahedral chains (Figure B), all oriented parallel to the c axis. However, while in AlPS 4 Al and P occupy two different crystallographic sites, in BPS 4 random disorder of B and P leads to an average structure of higher symmetry ( I 222→ Ibam ) with only one crystallographic site for B/P.…”

Section: Resultsmentioning

confidence: 99%

“…Differential thermal analysis (DTA) measurements of BPS 4 were performed in sealed quartz containers with home‐built equipment . After thermal analysis, the products were again characterized by XRD and SEM‐EDX analysis.…”

Section: Resultsmentioning

confidence: 99%

“…The highest coordination number of the trivalent cation is 8 in YPS 4 as well as further lanthanide compounds . The coordination number decreases to 7 in ScPS 4 , and continues decreasing to a mixed sevenfold and sixfold coordination in BiPS 4 , to an octahedrally surrounded Cr in layered CrPS 4 , a fivefold coordination of Sb in SbPS 4 , and finally, a fourfold coordination is found in AuPS 4 ,, AlPS 4 , BPS 4 , GaPS 4 , and InPS 4 . In AuPS 4 , whose structure was finally solved by single‐crystal X‐ray diffraction in 2003, the PS 4 tetrahedra are connected via square‐planar coordinated Au 3+ forming one‐dimensional chains.…”

Section: Introductionmentioning

confidence: 97%

“…As part of our systematic studies on ternary thiophosphates and our investigations of the Al‐P‐S system, we here revisit and clarify the structure of boron tetrathiophosphate. To this end, we resynthesized BPS 4 to obtain single crystals suitable for structure solution and performed Raman spectroscopy supported by quantum chemical calculations.…”

Section: Introductionmentioning

confidence: 99%

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New Light on an Old Story: The Crystal Structure of Boron Tetrathiophosphate Revisited

Pielnhofer

Schoop

Kuhn

et al. 2019

Zeitschrift anorg allge chemie

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The crystal structure of boron tetrathiophosphate BPS 4 was reinvestigated using single-crystal X-ray diffraction. The structure shows unidimensional chains similar to SiS 2 as structural motifs. BPS 4 crystallizes in the orthorhombic space group Ibam (no. 72), with a = 5.6173 (3), b = 8.9929(4), c = 5.2433(3) Å and V = 264.87(2) Å 3 and is closely related to the orthorhombic high-temperature modification of AlPS 4 (ht-AlPS 4 ). The SiS 2 -like chains are all oriented parallel to the c axis, which explains the needle-like morphology and that the * Prof. Dr. B. V. Lotsch E-Mail: b.lotsch@fkf.mpg.de [a] Zeitschrift für anorganische und allgemeine Chemie ARTICLE forming the single-crystal Raman scattering, M.-L. Schreiber for ICP-OES analyses, F. Falkenberg for the high-pressure treatments and the Computer Service group at MPI-FKF for providing computational facilities.

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Section: Discussionmentioning

confidence: 93%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 97%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

New Light on an Old Story: The Crystal Structure of Boron Tetrathiophosphate Revisited

Pielnhofer

Schoop

Kuhn

et al. 2019

Zeitschrift anorg allge chemie

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Metal Thio‐ and Selenophosphates as Multifunctional van der Waals Layered Materials

et al. 2017

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Since the discovery of Dirac physics in graphene, research in 2D materials has exploded with the aim of finding new materials and harnessing their unique and tunable electronic and optical properties. The follow-on work on 2D dielectrics and semiconductors has led to the emergence and development of hexagonal boron nitride, black phosphorus, and transition metal disulfides. However, the spectrum of good insulating materials is still very narrow. Likewise, 2D materials exhibiting correlated phenomena such as superconductivity, magnetism, and ferroelectricity have yet to be developed or discovered. These properties will significantly enrich the spectrum of functional 2D materials, particularly in the case of high phase-transition temperatures. They will also advance a fascinating fundamental frontier of size and proximity effects on correlated ground states. Here, a broad family of layered metal thio(seleno)phosphate materials that are moderate- to wide-bandgap semiconductors with incipient ionic conductivity and a host of ferroic properties are reviewed. It is argued that this material class has the potential to merge the sought-after properties of complex oxides with electronic functions of 2D and quasi-2D electronic materials, as well as to create new avenues for both applied and fundamental materials research in structural and magnetic correlations.

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Sulfur‐ and Selenium‐Containing Compounds Potentially Exhibiting Al Ion Conductivity

Meutzner

Zschornak

Kabanov

et al. 2019

Chemistry A European J

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We have created a set of crystalline model structures exhibiting straight lines of Al3+ connected to chalcogenides (O2−, S2−, and Se2−) connected to metal cations of varying valence (Sr2+, Y3+, Zr4+, Nb5+, and Mo6+). They were relaxed with density functional theory computations and analysed by Bader partitioning. As Al3+ ions are supposed to strongly interact with their atomic environment, we studied the electron density topology induced by higher‐valent cations in the extended chemical neighbourhood of Al. In fact, we found a general decrease of ionic charges and an increasing displacement of the chalcogenides towards higher‐valent ions for the heavier chalcogens. Therefore, we comprehensively screened S‐ and Se‐containing compounds for candidates theoretically exhibiting low migration barriers for Al3+ ions by using Voronoi–Dirichlet partitioning and bond valence site energy calculations. The basis for this search is the Inorganic Crystal Structure Database. Indeed, we could extract six promising candidates with low Al3+ migration barriers. which are even lower than the barriers for any other element inside of these materials. This will encourage efforts towards preparing suitable Al3+ conductors.

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In Search of Aluminum Hexathiohypodiphosphate: Synthesis and Structures of ht‐AlPS₄, lt‐AlPS₄, and Al₄(P₂S₆)₃

Cited by 20 publications

References 5 publications

New Light on an Old Story: The Crystal Structure of Boron Tetrathiophosphate Revisited

New Light on an Old Story: The Crystal Structure of Boron Tetrathiophosphate Revisited

Metal Thio‐ and Selenophosphates as Multifunctional van der Waals Layered Materials

Sulfur‐ and Selenium‐Containing Compounds Potentially Exhibiting Al Ion Conductivity

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