Crystal Structure of Gadolinium Orthoferrite, GdFeO3

Abstract

The crystal structure of gadolinium orthoferrite, GdFeO3, has been determined from single-crystal x-ray data. There are four GdFeO3 distorted perovskite units in the orthorhombic cell with lattice constants a=5.346, b=5.616, c=7.668, all ±0.004 A. The structure is solved on the basis that the most probable space group is D2h(16)— Pbnm. However, although the atomic coordinates lead to very good agreement between calculated and observed reflection amplitudes, there are at least very slight deviations from the centrosymmetric space group because the iron sublattices are imperfectly antiferromagnetic.

PbO / PbF2 Flux Growth of YScO3 and LaScO3 Single Crystals – Structure and Solid-State NMR Spectroscopy

“…The 45 Sc chemical shift values measured for YScO 3 and LaScO 3 are in the typical range of six-coordinate scandium compounds in oxides [18,19], particularly perovskites [22]. The distinct differences in the quadrupolar coupling constant for 45 [42] (see [5] for details of the calculations), producing C Q = 8.1 MHz and η Q = 0.75 for YScO 3 and C Q = 3.7 MHz and η Q = 0.96 for LaScO 3 .…”

“…This is especially possible if the smallest rare earth cation Sc 3+ is used. Such compounds crystallize with the orthorhombic GdFeO 3 -type structure [3], space group Pnma.…”

“…therein], we were interested in the diamagnetic RERE O 3 oxides YScO 3 and LaScO 3 . The largest difference in the ionic radii occurs for LaScO 3 which adopts the GdFeO 3 -type over the whole temperature range [8,9].…”

The influence of chromium substitution on crystal structure and shift of Néel transition in GdFe1−xCrxO3 mixed oxides

“…Both families of compounds show structural similarities, i.e., they crystallize in Pbnm orthorhombic space group with a distorted perovskite structure [14,15], and show canted antiferromagnetic spin ordering. When compared, the edges of the MeO 6 octahedra differ by 2 % only, with the difference between Fe ?3 and Cr ?3 ions less than 5 % [16], But in spite of being structurally similar their magnetic properties are in significant contrast.…”

Crystal data for ytterbium orthoferrite YbFeO3

“…The lower-angle lines were indexed on the basis of an orthorhombic cell of space group Pbnm (DX26) by comparison with the data of Geller & Wood (1956) on the lighter rare-earth orthoferrites. Geller (1956) considers space groups Pbn (C92v) unlikely on structural grounds. The fines 132, 024, and 204 which were unequivocally indexed were used to determine lattice constants a=5.22(8), b= 5"54(6), c= 7.56(0)A which resulted in the indexing of all the lines.…”