On the Crystalline Structure of Hydrides of ErFe2 and HoFe2

Structural and magnetic properties of ErFe2D3.1

“…In the present study a careful analysis of the ErFe 2 D 3.1 NPD patterns shows the distribution of deuterium atoms over the preferential A 2 B 2 tetrahedral sites within the whole temperature range 12-450 K. In accordance with [19] the parent ErFe 2 compound exhibits week rhombohedral distortions below the Curie temperature due to magnetostriction effects. However, random magnetic anisotropy and weakened exchange interactions result in the suppression of the magnetostrictive distortions of the parent RFe 2 structure in hydride or deuteride compounds [20][21][22].…”

Crystal structure of ErFe2D3.1 and ErFe2H3.1 at 450K

“…A thorough geometrical analysis of the possible site occupations for hydrides with the Fd3m cubic structure of the MgCu 2 -type is given in [12,13]. At the same time, there are only few works in which the distribution of H or D atoms over crystallographic positions has been determined experimentally [5,14,15]. In this paper we report on the crystal structure Zoomed parts of XRD patterns of the ErFe2D3.1 (a) and ErFe2H3.1 (b) compounds refined in the F23 SG at 300 K. The full line through the symbols represents the best fit.…”

“…The hydrogen penetrating into the cubic unit cell of the RFe 2 compounds causes the crystal structure transformations which can result in changes of their physical properties. Depending on the conditions of hydrogenation, hydrides of the RFe 2 compounds with a cubic, rhombohedral, orthorhombic or amorphous structure can be synthesized [4][5][6][7]. The crystalline ErFe 2 H x hydrides possess the cubic structure of the C15 type for hydrogen content below x ≈ 3.2, a rhombohedral structure for 3.2 < x < 3.7, the C15-type structure for x ≈ 4 at room temperature [6,8,9] and orthorhombic lattice for x > 5 [3].…”