The crystal structure of chromium thiophosphate, CrPS4

Diehl, R.; Carpentier, C. D.

doi:10.1107/s0567740877006165

Cited by 49 publications

(46 citation statements)

References 6 publications

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“…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%

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: Introductionmentioning

confidence: 97%

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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“…Among the 2D vdW magnetic materials, CrPS 4 is currently enjoying a surge of interest [30][31][32][33][34][35] . CrPS 4 was first synthesized in the 1970s and found to possess a monoclinic symmetry (C2/m space group) 36 . In the structure, puckered layers of S atoms are arranged in hexagonal close packing parallel to the a-axis, whereas the Cr atoms form a square lattice.…”

Section: Introductionmentioning

confidence: 99%

Band gap crossover and insulator–metal transition in the compressed layered CrPS4

Susilo¹,

Jang²,

Feng³

et al. 2020

npj Quantum Mater.

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Two-dimensional van der Waals (vdW) magnetic materials have emerged as possible candidates for future ultrathin spintronic devices, and finding a way to tune their physical properties is desirable for wider applications. Owing to the sensitivity and tunability of the physical properties to the variation of interatomic separations, this class of materials is attractive to explore under pressure. Here, we present the observation of direct to indirect band gap crossover and an insulator-metal transition in the vdW antiferromagnetic insulator CrPS 4 under pressure through in-situ photoluminescence, optical absorption, and resistivity measurements. Raman spectroscopy experiments revealed no changes in the spectral feature during the band gap crossover whereas the insulator-metal transition is possibly driven by the formation of the high-pressure crystal structure. Theoretical calculations suggest that the band gap crossover is driven by the shrinkage and rearrangement of the CrS 6 octahedra under pressure. Such high tunability under pressure demonstrates an interesting interplay between structural, optical and magnetic degrees of freedom in CrPS 4 , and provides further opportunity for the development of devices based on tunable properties of 2D vdW magnetic materials.

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“…The first is represented by the general formula MxPCh 4 with x values so far known to be 3, 1.5 and 1. The following M thiophosphates have so far been synthesized and structurally characterized: Cu3PS 4 (Garin & Parth6, 1972) with x = 3; Pd3(PS4) 2 (Bither, Donohue & Young, 1971 ), Co3(P54)2, Hg3(PS4) 2, Sr3(PS4) 2, W3(PS4) 2 (Sokalov & Nechaeva, 1969) with x = 1.5; BPS4 (Weiss & Schaefer, 1963), A1PS 4 (Weiss & Schaefer, 1960), GaPS 4 (Buck & Carpentier, 1973), InPS4 (Carpentier, Diehl & Nitsche, 1970), BiPS 4 (Zimmermann, Carpentier & Nitsche, 1975), CrPS 4 (Diehl & Carpentier, 1976) with x = 1. Mos~ of these compounds are characterized by a more or less distorted close-packing of S atoms with M in tetrahedral or octahedral interstices of the packing but with P being exclusively in tetrahedral S coordination.…”

Section: Introductionmentioning

confidence: 99%

The structural chemistry of indium phosphorus chalcogenides

Diehl¹,

Carpentier²

1978

Acta Crystallogr Sect B

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Indium phosphorus chalcogenides are so far known to occur as InPS 4, In4(P2S6) 3 and In4(P2Se6) 3. Indium thiophosphate, InPS4, is tetragonal, space group 14 ($2), with a = 5.623 (1), c = 9.058 (2) A, c/a = 1.611, V = 286.4 (1) A 3, and Z = 2. Its crystal structure was refined from 753 independent X-ray reflexions measured with an automatic four-circle single-crystal diffractometer to R = 0.038. The absolute configuration was obtained by refinement calculations including anomalous-dispersion factors. In4(P2S6) 3 is monoclinic, space group P2Jc (C2Sh), with a = 6.842 (2), b = 10.528 (2), c = 18.266 (5) A, fl = 107.67 (2) °, V = 1253.7 (4) A, 3, and Z = 2. The crystal structure, refined from 2630 independent X-ray reflexions to an R value of 0.063, was found to be a metal-deficient threefold superstructure of the Fe2P2S 6 type formed by the ordering of metal vacancies. Similar relationships hold for In4(P2Se6) 3 with respect to Fe2P2Se 6 but the former builds up a (C2v), sixfold superstructure of the latter. Indium selenohypodiphosphate is orthorhombic, space group Pba2 8with a = 19.197 (9), b = 11.090 (9), c = 20.067 (7) •, V = 4272.2 (8)/~3, and Z = 6. From analogies with the S compound as well as from geometrical and space-group considerations, its crystal structure was established.

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The crystal structure of chromium thiophosphate, CrPS4

Cited by 49 publications

References 6 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

Band gap crossover and insulator–metal transition in the compressed layered CrPS4

The structural chemistry of indium phosphorus chalcogenides

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