1993
DOI: 10.1107/s0108270193005888
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Structure determination of SnZrS3

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Cited by 19 publications
(15 citation statements)
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“…For instance, some hexagonal RFeO 3 and RMnO 3 compounds also display a polarization as a secondary mode, but the primary mode driving the structural transformation is not related to JT distortions. It is rather the so-called K 3 mode, which consists of a tilt of the oxygen bipyramid and buckling of the R layers, and which generates a polarization via a 3 3 Q P K energetic coupling [23] (interestingly, in these hexagonal systems the magnitude of the polarization increases with hydrostatic pressure, [22,39] which contrasts with the present behavior shown in Figure 2b). Furthermore, some recent computational works also predict that polarization can couple with JT distortions, [17,18] but in such cases the polarization is the primary order parameter and couples with the JT modes via anharmonic trilinear terms.…”
Section: Coupling Energiescontrasting
confidence: 65%
See 1 more Smart Citation
“…For instance, some hexagonal RFeO 3 and RMnO 3 compounds also display a polarization as a secondary mode, but the primary mode driving the structural transformation is not related to JT distortions. It is rather the so-called K 3 mode, which consists of a tilt of the oxygen bipyramid and buckling of the R layers, and which generates a polarization via a 3 3 Q P K energetic coupling [23] (interestingly, in these hexagonal systems the magnitude of the polarization increases with hydrostatic pressure, [22,39] which contrasts with the present behavior shown in Figure 2b). Furthermore, some recent computational works also predict that polarization can couple with JT distortions, [17,18] but in such cases the polarization is the primary order parameter and couples with the JT modes via anharmonic trilinear terms.…”
Section: Coupling Energiescontrasting
confidence: 65%
“…[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%
“…PbZrS 3 [13], PbSnS 3 [14], SnHfS 3 and PbHfS 3 [15] SnZrS 3 [16], Sn 2 S 3 [14,17], LaCrSe 3 [18], and EuZrSe 3 [19]. The structures of these compounds with cations A nϩ having a large radius are closely related to the NH 4 CdCl 3 -type (Strukturberichte, type E24).…”
Section: Crystal Structurementioning
confidence: 99%
“…In contrast, the AMS compounds with A"Ca, Sr, Ba, Eu; M"Zr, Hf (1,3,8,9) were shown to adopt the perovskite-type GdFeO structure characterized by buckled 3-D corner-sharing MS octahedra. When A"Pb, Sn the zirconium and hafnium sulfides adopt the NH CdCl structure type (9)(10)(11) that is typified by double columns of edge-sharing MS octahedra linked by A> cations. Interestingly, high pressure studies have shown that the SrZrS perovskite converts to a NH CdCl structure at 60 kbar and 1000°C (12).…”
Section: Introductionmentioning
confidence: 99%