Lead zirconium sulphide

Lelieveld, R.; IJdo, D.J.W.

doi:10.1107/s0567740878010882

Cited by 17 publications

(18 citation statements)

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“…This is found for PbZrS3 (Lelieveld & IJdo, 1978), SnHfS3 and PbHfS3 (Wiegers, Meetsma, Haange & de Boer, 1989), where Zr and Hf are in octahedra of S atoms, for the mixed-valence compound Sn2S3 (Mootz & Ptthl, 1967;Jumas, Ribes, Philippott & Maurin, 1972;Yamaoka & Okai, 1970), and for the selenides LaCrSe3 (Huy-Dung, Etienne & l_xtmelle, 1971) and EuZrSe3 (Mar & Ibers, 1992), where Cr and Zr are in octahedra of Se atoms. They are differentiated by the coordination number of the large A cation which can vary from CN = 3 for Sn to CN = 9 for La in LaCrSe3; Eu in EuCrSe3 has CN = 8.…”

Section: Commentmentioning

confidence: 99%

“…CN ---8 of the A metal is found for Eu in EuZrSe3 (Mar & Ibers, 1992). Pb in PbZrS3 (Lelieveld & IJdo, 1978) and PbHfS3 (Wiegers et al, 1989) is coordinated like Sn but with a smaller difference between the longer and the shorter Pb--S bonds. The asymmetric coordination of Sn and Pb is typical for Sn 2÷ and Pb 2÷ with a lone pair of s electrons (5s for Sn 2÷ and 6s for pb2÷).…”

Section: Commentmentioning

confidence: 99%

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Structure determination of SnZrS3

Meetsma¹,

Wiegers²,

Boer³

1993

Acta Crystallogr C

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Section: Commentmentioning

confidence: 99%

Section: Commentmentioning

confidence: 99%

Structure determination of SnZrS3

Meetsma¹,

Wiegers²,

Boer³

1993

Acta Crystallogr C

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“…The atomic arrangement was found to be isotypic to a number of synthetic ternary chalcogenides ABX 3 (X = S, Se) which are strongly related to the NH 4 CdCl 3 aristotype structure (Brasseur and Pauling 1938; type E 24: structure reports). Isostructural atomic arrangements in sulfides and selenides are reported for: Sn 2 S 3 (Kniep et al 1982;Mootz and Puhl 1967), PbSnS 3 (Jumas et al 1972), ABS 3 (A = Pb, Sn; B = Zr, Hf: Lelieveld and Ijdo 1978;Wiegers et al 1989;Meetsma et al 1993), Sn(Ti 0.8 Sn 0.2 )S 3 (Gressier et al 1987), SbBS 3 (B = Cr, In: Paulus and Fuess 1992;Jobic et al 1994), ACrSe 3 (A = La, Ce, Ga: Huy-Dung et al 1971;Lutz et al 1988) and EuZrSe 3 (Mar and Ibers 1992). A number of isostructural halogenides (X = Cl, Br, I) is reported in Kniep et al (1982).…”

Section: Crystal Structure Descriptionmentioning

confidence: 95%

Suredaite, PbSnS₃, a new mineral species, from the Pirquitas Ag-Sn deposit, NW-Argentina: mineralogy and crystal structure

Paar

Miletich

Topa

et al. 2000

American Mineralogist

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Suredaite, ideally PbSnS 3 , is a new mineral species from the Pirquitas Ag-Sn deposit (Province Jujuy, NW-Argentina). It was observed in symmetrically banded veins in the Oploca district, and is associated with sphalerite, arsenopyrite, pyrite-marcasite, cassiterite, cylindrite, franckeite, hocartite, rhodostannite, and various Ag-Sb and Ag-Bi sulfosalts in minor amounts. Suredaite occurs in layers up to 1 cm in thickness as aggregates of radially arranged tabular-prismatic (single) crystals, has a metallic lustre, and a dark grey streak. VHN 50 ranges between 18.2 and 20.6 (mean 19.6) GPa, the Mohs hardness is 2.5-3. It has perfect cleavages parallel to {001}, {101}, and {100}. The measured density varies between 5.54 and 5.88 g/cm 3 , D x was determined to be 5.615 g/cm 3 . In reflected plane-polarised light, it is white and is not perceptibly bireflectant or pleochroic. It lacks internal reflections and is weakly anisotropic with metallic blue, mauve to brown rotation tints. Specular reflectance percentages in air and in oil are tabulated from 400 to 700 nm and compared graphically with those for the type specimen of teallite, PbSnS 2 . Electron microprobe analyses showed suredaite to be chemically inhomogeneous with respect to the compositional variations (in wt%): Pb 42.3-48.5, Ag 0.3-1.1, Fe 0.3-1.0, As 0.2-2.1, Sn 27.7-30.2, S 23.1-24.7. The crystal structure determined from single-crystal X-ray diffraction data revealed orthorhombic symmetry [space group Pnma, Z = 4, a = 8.8221(3), b = 3.7728(3), c = 14.0076(3) Å; V = 466.23(4) Å 3 ]. The atomic arrangement is isostructural to the NH 4 CdCl 3 structure type which exists in a series of isotypic sulfides and selenide compounds. The suredaite structure, which is the natural analogue of synthetic PbSnS 3 , consists of columns of double-edge sharing octahedra running parallel to the b axis, which house the Sn atoms. These columns are linked by rods of eightfold-coordinated Pb atoms. On the basis of the structure determination, the empirically determined idealized formula follows a [8] (Pb, As,Ag, Sn) [6] (Sn,Fe)S 3 stoichiometry. Crystalchemical arguments suggest Ag possibly to occupy interstitial sites according to the alternative formula [4] (s,Ag) [8] (Pb, As, Sn) [6] (Sn,Fe) S 3 . The name of this new mineral species is in honor of R.J. Sureda Leston, head of the

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“…More precisely, the X 2 mode has two components: a first one, associated to an amplitude ,in 2 Q X , which is characterized by the fact that all oxygen ions move in-phase along the b-axis within the primitive unit cell; and a second one, ,out 2 Q X , associated with the antiphase motions (parallel or antiparallel to b) of the oxygen atoms within the unit cell. As a result, the aforementioned 2 2 2 (1) is in fact a simplified version of the actual invariant ,in , out…”

Section: Coupling Energiesmentioning

confidence: 99%

“…[2][3][4][5][6] Recent studies also revealed that iodate compounds, such as CH 3 NH 3 PbI 3 (which presents a high photovoltaic conversion) and CsSnI 3 can also crystallize in the NH 4 CdCl 3 -type structure. [7,8] Xu et al further predicted, by using a first-principles-based genetic algorithm, that the NH 4 CdCl 3 -type structure can also become the ground state of many ABO 3 oxides and ABF 3 fluorites, when under high enough pressure.…”

mentioning

confidence: 99%

Pressure‐Induced Multiferroics via Pseudo Jahn–Teller Effects and Novel Couplings

et al. 2016

Adv. Funct. Mater.

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of 7) 1604513PbHfS 3 , and SnHfS 3 . [2][3][4][5][6] Recent studies also revealed that iodate compounds, such as CH 3 NH 3 PbI 3 (which presents a high photovoltaic conversion) and CsSnI 3 can also crystallize in the NH 4 CdCl 3 -type structure. [7,8] Xu et al. further predicted, by using a first-principles-based genetic algorithm, that the NH 4 CdCl 3 -type structure can also become the ground state of many ABO 3 oxides and ABF 3 fluorites, when under high enough pressure. [9] Considering its generality and its occurrence after the perovskite (Pv) and post-perovskite (pPv) structures when gradually increasing the hydrostatic pressure in various ABO 3 and ABF 3 compounds, the NH 4 CdCl 3 -type structure is named as post-post-perovskite (ppPv) in ref.[9] -which is the convention we will also adopt in this paper.Interestingly, as far as we can tell, the post-post-perovskite structure has never been found (or predicted) to display an electrical polarization or the so-called Jahn-Teller (JT) distortions -intimately related to magnetism and electronic structure -in any material, including ABO 3 and ABF 3 systems. This is in line with the common belief that hydrostatic pressure suppresses structural distortions of the type that are typically related to electric polarization and Jahn-Teller effects. [10][11][12][13] For instance, experimental and computational works both reported that JT distortions of LaMnO 3 perovskite are reduced under pressure until potentially fully vanishing for a high enough compression. [11][12][13] Similarly, polarization typically results from a competition between long-range Coulomb interactions (which favor ferroelectricity) and short-range interactions (which favor the paraelectric structure), [14] and pressure tips this delicate balance in favor of short-range repulsive effects, thus favoring the paraelectric state. [15,16] Here we use first-principles simulations to predict that such beliefs have to be revisited. More precisely, we discover that applying pressure to many magnetic rare-earth manganites RMnO 3 not only leads to the stabilization of the post-postperovskite structure but also induces pseudo Jahn-Teller effects that, in turn, yield a spontaneous electrical polarization via a previously unknown coupling. Interestingly, the latter coupling only involves the polarization and the mentioned JT distortion; this feature sets the new coupling apart from other trilinear effects, [17,18] in which a third structural distortion appears, as it strongly suggests the possibility of an easier control of JT effects and related electronic properties via the application of Multiferroic materials are currently attracting a lot of interest because of the cross-coupling between their electrical and magnetic properties, which has the potential to lead to novel devices. There is a relatively small number of multiferroics and, hence, various strategies have been proposed to design materials possessing both ordered electric and magnetic dipoles. However, one strategy that has been scarcely investigated...

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Lead zirconium sulphide

Cited by 17 publications

References 5 publications

Structure determination of SnZrS3

Structure determination of SnZrS3

Suredaite, PbSnS₃, a new mineral species, from the Pirquitas Ag-Sn deposit, NW-Argentina: mineralogy and crystal structure

Pressure‐Induced Multiferroics via Pseudo Jahn–Teller Effects and Novel Couplings

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Lead zirconium sulphide

Cited by 17 publications

References 5 publications

Structure determination of SnZrS3

Structure determination of SnZrS3

Suredaite, PbSnS3, a new mineral species, from the Pirquitas Ag-Sn deposit, NW-Argentina: mineralogy and crystal structure

Pressure‐Induced Multiferroics via Pseudo Jahn–Teller Effects and Novel Couplings

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Product

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Suredaite, PbSnS₃, a new mineral species, from the Pirquitas Ag-Sn deposit, NW-Argentina: mineralogy and crystal structure