The crystal structures of the trifluorides of iron, cobalt, ruthenium, rhodium, palladium and iridium

Hepworth, M. A.; Jack, K. H.; Peacock, R. D.; Westland, G. J.

doi:10.1107/s0365110x57000158

Cited by 193 publications

(60 citation statements)

References 1 publication

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“…The other three lie close to the curve; the data are not very precise, and any deviations from regularity of the octahedron are probably within experiimental error. The trifluorides also lie close to the curve, except for RhF3 and IrF3, for which the octahedra are significantly flattened, as noted by Hepworth et al (1957) -who also commented that the specimen of CoF3 gave somewhat diffuse reflexions.…”

Section: Lattice Parameters and Tilt Anglementioning

confidence: 53%

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Geometrical and structural relations in the rhombohedral perovskites

Megaw¹,

Darlington²

1975

Acta Cryst Sect A

329

209

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The rhombohedral perovskites are of interest in lattice dynamics (e.g. LaA103, PrA103) and for their ferroelectric properties (e.g. LiNbO3, PbZr/TiO3). In this paper, data scattered through the literature are correlated, with correction of some misleading mistakes of calculation. Geometrical descriptions are put in a form allowing comparisons. The structures, classified by their space groups, are described in terms of four structural parameters, the octahedron tilt co, octahedron distortion d, and A-and B-cation displacements s and t, together with an elongation or flattening ~ of the octahedron, deducible with the help of co from the interaxial angle a,h. Attention is drawn to the variety of physical causes underlying these departures from ideal perovskite. In the R-3e structures a correlation not previously noted in the literature is found between the tilt angle co and a flattening of the octahedron, and some tentative suggestions are made as to its cause. In the R3m and R3e structures, a lack of general correlation between B-cation displacement and the other parameters is noted, in contradiction to earlier reports.

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Section: Lattice Parameters and Tilt Anglementioning

confidence: 53%

“…given, with references, in Table 3; those for the trifluorides are taken directly from the work of Hepworth, Jack, Peacock & Westland (1957). The smooth curve is that calculated for regular octahedra, for which (cos C%c)ca,¢ is given by the first term in equation (6).…”

Section: Lattice Parameters and Tilt Anglementioning

confidence: 99%

Geometrical and structural relations in the rhombohedral perovskites

Megaw¹,

Darlington²

1975

Acta Cryst Sect A

329

209

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“…Each triangle of anions is rotated by 30 ° and the anion stacking changes from cubic to hexagonal close-packed. This relationship is well known (Hepworth et al, 1957;Wells, 1962). The same anion movements were used by Megaw (1968) to describe the relation between LiNbO3 (h.c.p.…”

Section: Relation Between Moos-and Reoa-type Structuresmentioning

confidence: 94%

On the relation between molybdenum trioxide and rhenium trioxide type crystal structures

Bursill¹

1973

Acta Cryst Sect A

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The structural relation between MoO3-type and ReO3-type is clarified by considering layers of anions parallel to (13T)MoO3 and (111)RcO3. MoO3 is then seen to be approximately cubic close-packed anions while ReO3 is cubic close-packed anions but with one-quarter of the anion sites unoccupied. The two structures may then be interconverted by a rotation operation resembling that which links ReO3-and PdFa-type structures. Photographs of ball models are used to illustrate the relations. No compounds are known which exhibit direct transition from ReO3-type to either MOO3-or PdF3-type. This is probably because of the large change in volume per anion. The interface between ReO3 and the close packed structures may be described as a dilation fault.

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“…Roman letters refer to the Rh positions and Greek letters to Sc positions, the primes being used to differentiate between the three possible oetahedral interstitial sites per AB double layer. A binary structure corresponding to the ScRh 3 arrangement in ScRhaSi 7 is already known for PdF 3 (Hepworth, Jack, Peacock & Westland, 1957). The ideal c/a ratio for the PdF 3 type is 2v/2 = 2.818.…”

Section: Scrh3si 7 Dmentioning

confidence: 99%

Trirhodium scandium heptasilicide and triiridium scandium heptasilicide with a new rhombohedral structure type

Chabot¹,

Engel²,

Parthé³

1981

Acta Crystallogr Sect B

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Abstract. ScRh3SiT: a = 7.5056 (6), c = 19.691 (4)/k, D x = 5.706 Mg m -3,/l(Mo Ka) = 9.6 mm -1, F(000) = 1524; Sclr3SiT: a = 7.5010 (2), c = 19.909 (1)/k, Dx = 8.403 Mg m -3, g(Mo Ka) = 67 mm -1, F(000) = 2100. ScRhaSi 7 and SclraSi7 crystallize with a new rhombohedral structure type in space group R3c, Z = 6. For ScRh3Si 7 (Sclr3SiT) the final R = 0.037 (0.072) for 272 (250) reflections. The Rh and Sc arrangement found in ScRh3Si 7 is similar to that found in the PdFa-type structure. Sc (Pd) are at the centres of octahedra formed by a hexagonal close-packed array of Rh (F) atoms. The crystal structures of ScRh3Si 7 and Sclr3Si7 are stabilized by strong Rh-Si and Ir-Si interactions with each Si surrounded by three Rh or Ir atoms.

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The crystal structures of the trifluorides of iron, cobalt, ruthenium, rhodium, palladium and iridium

Cited by 193 publications

References 1 publication

Geometrical and structural relations in the rhombohedral perovskites

Geometrical and structural relations in the rhombohedral perovskites

On the relation between molybdenum trioxide and rhenium trioxide type crystal structures

Trirhodium scandium heptasilicide and triiridium scandium heptasilicide with a new rhombohedral structure type

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