Magnetic and crystallographic structure of Th6Mn23Dx

Hardman‐Rhyne, K. A.; Smith, H.K.; Wallace, W.E.

doi:10.1016/0022-5088(84)90196-6

Cited by 27 publications

(12 citation statements)

References 9 publications

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“…The symmetry analysis method was applied to the discussion of magnetic and structural phase transitions in hydride the Y 6 Mn 23 D 23 (Fm3m space group), induced by different concentrations of hydrogen (deuterium) atoms [4]. In addition the results of this analysis can be applied to the discussion of structure changes in all the family of R 6 M 23 compounds.…”

Section: Calculationsmentioning

confidence: 99%

“…In the main part of our paper there are examples with particular calculations of all types of modes for position 32f( ) in R 6 M 23 deuterides occupied by M and D atoms. The quantity = 0 179 used in the tables below concerns the Mn atoms in agreement with [4]. The details of calculations for other positions of atoms are presented in the Appendix.…”

Section: Calculationsmentioning

confidence: 99%

“…The authors of [4] studied Y 6 Mn 23 D 23 at 295K (Fm3m -IT 225) where deuterium occupancy and location has been determined for it. They reported that, among several possible space groups the one that provided the best fit to the nuclear structure of Y 6 Mn 23 D 23 at low temperatures (T<180 K) is a primitive tetragonal structure of space group P4/mmm (IT 123).…”

Section: Calculationsmentioning

confidence: 99%

“…Such relations when the symmetry group is restricted to the P4/mmm subgroup, for the positions occupied in Y 6 Mn 23 D 23 [4], are quoted below (Table 6). It should be taken into account that the relation between these groups leads to proportion between the corresponding cells equal to 1 2 .…”

Section: Calculationsmentioning

confidence: 99%

“…As the example in Table 7 are quoted the splitting results for positions 32f taken from [4]. It is important that the same results are for all positions 32f (32f 1 ,32f 2 ).…”

Section: Starting Group Is 225mentioning

confidence: 99%

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Symmetry analysis of the behavior of the family R6M23 compounds upon hydrogenation

Kuna

Sikora

2011

Open Physics

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Symmetry analysis was applied in this work to discuss the behavior of the family R6M23 compounds upon hydrogenation (deuteration), where different structural transformations and magnetic properties, depending on the type of R and M atoms and hydrogen (deuterium) concentrations, have been found. The crystallographic structure of these compounds is described by the Fm3m space group and contain 116 atoms per unit cell occupying the positions 24e(R), 4b, 24d, 32f1 and 32f2(M). Additionally in the elementary cell, there could be up to 100 atoms of hydrogen (or deuterium) occupying the interstitial positions 4a, 32f3, 96j1 and 96k1. The symmetry analysis in the frame of the theory of space groups and their representation gives the opportunity to find all possible transformations from high symmetry parent structure to the structures with symmetry belonging to one of its subgroups. For a given transformation it indicates possible displacements of atoms from initial positions in the parent structure, ordering of hydrogen over interstitial sites and also ordering of magnetic moments, described by the smallest possible number of free parameters. The analysis was carried out by means of the MODY computer program for vectors k = (0; 0; 0) and k = (0; 0; 1) describing the changes of translational symmetry and all positions occupied by the R, M and D atoms.

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Section: Calculationsmentioning

confidence: 99%

Section: Calculationsmentioning

confidence: 99%

Section: Calculationsmentioning

confidence: 99%

Section: Calculationsmentioning

confidence: 99%

“…As the example in Table 7 are quoted the splitting results for positions 32f taken from [4]. It is important that the same results are for all positions 32f (32f 1 ,32f 2 ).…”

Section: Starting Group Is 225mentioning

confidence: 99%

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