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Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds

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2018
Scherba-YUCOMAT-2018.pdf (1.304Mb)
Authors
Scherba, Ivan
Noga, Henrik
Antonov, Viktor
Zhak, Olga
Uskoković, Dragan
Jatcyk, Bohdan M.
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Abstract
We have studied experimentally and theoretically the electronic structure and x-ray absorption spectrum at the R.E.L3 - edge and x-ray emission spectra of Ni and P in the R.E.2Ni12P5 compounds. Crystal structure of the ternary phosphate Ce2Ni12P5 has been refined using X-ray powder diffraction pattern of the single phase sample with the same nominal composition, and the isotopic structure as for earlier known La2Ni12P5-type has been proved: space group P21/m, formula units Z = 2, lattice parameters are a = 1.07809(2) nm, b = 0.36869(1) nm, c = 1.31490(3) nm, b = 107.776(4), residual R-values are RI = 0.0681, RP = 0.0442 , RwP = 0.0603. The theoretical calculations have been carried out by means of the ab initio fully-relativistic spinpolarized Dirac linear muffin-tin orbital method. The calculations show good agreement with the experimental measurements. R.E.LIII - absorption spectra in ternary R.E.2Ni12P5 compounds were obtained at 78K and 300K using a tube spectrometer equipped with ...an RKD-01 co-ordinate detector. The mixed valence state of Ce and Eu was obtained in the Ce2Ni12P5 and Eu2Ni12P5 compounds.

Keywords:
R.E.2Ni12P5 / electronic structure / X-ray spectroscopic properties
Source:
Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018, 2018, 109-109
Publisher:
  • Belgrade : Materials Research Society of Serbia

ISBN: 978-86-919111-3-3

[ Google Scholar ]
URI
http://dais.sanu.ac.rs/123456789/3668
Collections
  • ITN SANU - Opšta kolekcija / ITS SASA - General collection
Institution
Институт техничких наука САНУ / Institute of Technical Sciences of SASA
TY  - CONF
AU  - Scherba, Ivan
AU  - Noga, Henrik
AU  - Antonov, Viktor
AU  - Zhak, Olga
AU  - Uskoković, Dragan
AU  - Jatcyk, Bohdan M.
PY  - 2018
UR  - http://dais.sanu.ac.rs/123456789/3668
AB  - We have studied experimentally and theoretically the electronic structure and x-ray absorption spectrum at the R.E.L3 - edge and x-ray emission spectra of Ni and P in the R.E.2Ni12P5 compounds. Crystal structure of the ternary phosphate Ce2Ni12P5 has been refined using X-ray powder diffraction pattern of the single phase sample with the same nominal composition, and the isotopic structure as for earlier known La2Ni12P5-type has been proved: space group P21/m, formula units Z = 2, lattice parameters are a = 1.07809(2) nm, b = 0.36869(1) nm, c = 1.31490(3) nm, b = 107.776(4), residual R-values are RI = 0.0681, RP = 0.0442 , RwP = 0.0603. The theoretical calculations have been carried out by means of the ab initio fully-relativistic spinpolarized Dirac linear muffin-tin orbital method. The calculations show good agreement with the experimental measurements. R.E.LIII - absorption spectra in ternary R.E.2Ni12P5 compounds were obtained at 78K and 300K using a tube spectrometer equipped with an RKD-01 co-ordinate detector. The mixed valence state of Ce and Eu was obtained in the Ce2Ni12P5 and Eu2Ni12P5 compounds.
PB  - Belgrade : Materials Research Society of Serbia
C3  - Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018
T1  - Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds
SP  - 109
EP  - 109
ER  - 
@conference{
author = "Scherba, Ivan and Noga, Henrik and Antonov, Viktor and Zhak, Olga and Uskoković, Dragan and Jatcyk, Bohdan M.",
year = "2018",
url = "http://dais.sanu.ac.rs/123456789/3668",
abstract = "We have studied experimentally and theoretically the electronic structure and x-ray absorption spectrum at the R.E.L3 - edge and x-ray emission spectra of Ni and P in the R.E.2Ni12P5 compounds. Crystal structure of the ternary phosphate Ce2Ni12P5 has been refined using X-ray powder diffraction pattern of the single phase sample with the same nominal composition, and the isotopic structure as for earlier known La2Ni12P5-type has been proved: space group P21/m, formula units Z = 2, lattice parameters are a = 1.07809(2) nm, b = 0.36869(1) nm, c = 1.31490(3) nm, b = 107.776(4), residual R-values are RI = 0.0681, RP = 0.0442 , RwP = 0.0603. The theoretical calculations have been carried out by means of the ab initio fully-relativistic spinpolarized Dirac linear muffin-tin orbital method. The calculations show good agreement with the experimental measurements. R.E.LIII - absorption spectra in ternary R.E.2Ni12P5 compounds were obtained at 78K and 300K using a tube spectrometer equipped with an RKD-01 co-ordinate detector. The mixed valence state of Ce and Eu was obtained in the Ce2Ni12P5 and Eu2Ni12P5 compounds.",
publisher = "Belgrade : Materials Research Society of Serbia",
journal = "Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018",
title = "Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds",
pages = "109-109"
}
Scherba I, Noga H, Antonov V, Zhak O, Uskoković D, Jatcyk BM. Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds. Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018. 2018;:109-109
Scherba, I., Noga, H., Antonov, V., Zhak, O., Uskoković, D.,& Jatcyk, B. M. (2018). Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds.
Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018Belgrade : Materials Research Society of Serbia., null, 109-109. 
Scherba Ivan, Noga Henrik, Antonov Viktor, Zhak Olga, Uskoković Dragan, Jatcyk Bohdan M., "Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds" null (2018):109-109

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