Synthesis and study of Sr-substituted misfit layer sulfides
(2005) In Materials Research Bulletin 40(1). p.79-91- Abstract
Two series of [(Ln1/3Sr2/3S)1.15] 1.15NbS2 (1.5Q/1H) and (Ln1- Sr S) 1+ NbS2 (1Q/1H) misfit layer sulfides have been synthesised and studied by X-ray powder and single crystal diffraction, EDX-analysis and magnetic measurements. For the early lanthanides (Ln = La, Ce) only the (Ln1- Sr S)1+ NbS2 (< 0.40-0.45, = 0.15-0.17) compounds were formed whereas for late lanthanides (Ln = Pr, Nd, Sm, Gd-Er, Yb, Lu), and yttrium, both types of phases can be obtained. The crystal structure of (Pr0.55Sr0.45S)1.15NbS 2 has been refined on the basis of X-ray single crystal data using the... (More)
Two series of [(Ln1/3Sr2/3S)1.15] 1.15NbS2 (1.5Q/1H) and (Ln1- Sr S) 1+ NbS2 (1Q/1H) misfit layer sulfides have been synthesised and studied by X-ray powder and single crystal diffraction, EDX-analysis and magnetic measurements. For the early lanthanides (Ln = La, Ce) only the (Ln1- Sr S)1+ NbS2 (< 0.40-0.45, = 0.15-0.17) compounds were formed whereas for late lanthanides (Ln = Pr, Nd, Sm, Gd-Er, Yb, Lu), and yttrium, both types of phases can be obtained. The crystal structure of (Pr0.55Sr0.45S)1.15NbS 2 has been refined on the basis of X-ray single crystal data using the superspace approach. It consists of double layers [Pr0.55Sr 0.45S] of NaCl-type (Q-part: = 5.799(3) Å, = 5.810(2) Å, = 23.331(9) Å, = 4) and NbS2-sandwiches (H-part: = 3.332(3) Å), = 8, yielding a q-vector q = (α 0 0), α = 0.74) alternating along the -direction. The superspace group pair is 2 (α 0 0): 2 (α 0 0) (No. 42.7). The refinement converged to w(obs) = 0.069. According to the structure refinement and EDX-analysis data in the [Pr0.55Sr0.45S]-slab almost half of the Pr-atoms are randomly replaced by Sr. The minimal formal value of charge transfer from the Q- to the H-part of the structure necessary to stabilise the misfit Nb-based layer sulfides has been estimated as about 0.6 ē per Nb atom.
(Less)
- author
- Grippa, A. Yu ; Lidin, S. LU ; D'yachenko, O. G. ; Rupasov, D. P. and Antipov, E. V.
- publishing date
- 2005-01-04
- type
- Contribution to journal
- publication status
- published
- keywords
- A. Chalcogenides, A. Layer compounds, C. X-ray diffraction, D. Crystal structure, D. Magnetic properties
- in
- Materials Research Bulletin
- volume
- 40
- issue
- 1
- pages
- 13 pages
- publisher
- Elsevier
- external identifiers
-
- scopus:10444228871
- ISSN
- 0025-5408
- DOI
- 10.1016/j.materresbull.2004.09.017
- language
- English
- LU publication?
- no
- id
- 36035ea7-ab3c-4bd5-abd4-c46776ecfff5
- date added to LUP
- 2019-04-08 15:23:02
- date last changed
- 2022-01-31 18:51:57
@article{36035ea7-ab3c-4bd5-abd4-c46776ecfff5, abstract = {{<p>Two series of [(Ln<sub>1/3</sub>Sr<sub>2/3</sub>S)<sub>1.15</sub>] <sub>1.15</sub>NbS<sub>2</sub> (1.5Q/1H) and (Ln<sub>1-</sub> Sr S) <sub>1+</sub> NbS<sub>2</sub> (1Q/1H) misfit layer sulfides have been synthesised and studied by X-ray powder and single crystal diffraction, EDX-analysis and magnetic measurements. For the early lanthanides (Ln = La, Ce) only the (Ln<sub>1-</sub> Sr S)<sub>1+</sub> NbS<sub>2</sub> (< 0.40-0.45, = 0.15-0.17) compounds were formed whereas for late lanthanides (Ln = Pr, Nd, Sm, Gd-Er, Yb, Lu), and yttrium, both types of phases can be obtained. The crystal structure of (Pr<sub>0.55</sub>Sr<sub>0.45</sub>S)<sub>1.15</sub>NbS <sub>2</sub> has been refined on the basis of X-ray single crystal data using the superspace approach. It consists of double layers [Pr<sub>0.55</sub>Sr <sub>0.45</sub>S] of NaCl-type (Q-part: = 5.799(3) Å, = 5.810(2) Å, = 23.331(9) Å, = 4) and NbS<sub>2</sub>-sandwiches (H-part: = 3.332(3) Å), = 8, yielding a q-vector q = (α 0 0), α = 0.74) alternating along the -direction. The superspace group pair is 2 (α 0 0): 2 (α 0 0) (No. 42.7). The refinement converged to <sub>w(obs)</sub> = 0.069. According to the structure refinement and EDX-analysis data in the [Pr<sub>0.55</sub>Sr<sub>0.45</sub>S]-slab almost half of the Pr-atoms are randomly replaced by Sr. The minimal formal value of charge transfer from the Q- to the H-part of the structure necessary to stabilise the misfit Nb-based layer sulfides has been estimated as about 0.6 ē per Nb atom.</p>}}, author = {{Grippa, A. Yu and Lidin, S. and D'yachenko, O. G. and Rupasov, D. P. and Antipov, E. V.}}, issn = {{0025-5408}}, keywords = {{A. Chalcogenides; A. Layer compounds; C. X-ray diffraction; D. Crystal structure; D. Magnetic properties}}, language = {{eng}}, month = {{01}}, number = {{1}}, pages = {{79--91}}, publisher = {{Elsevier}}, series = {{Materials Research Bulletin}}, title = {{Synthesis and study of Sr-substituted misfit layer sulfides}}, url = {{http://dx.doi.org/10.1016/j.materresbull.2004.09.017}}, doi = {{10.1016/j.materresbull.2004.09.017}}, volume = {{40}}, year = {{2005}}, }