Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds
Конференцијски прилог (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
R.E.2Ni12P5 / electronic structure / X-ray spectroscopic propertiesИзвор:
Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018, 2018, 109-109Издавач:
- Belgrade : Materials Research Society of Serbia
Институција/група
Институт техничких наука САНУ / Institute of Technical Sciences of SASATY - CONF AU - Scherba, Ivan AU - Noga, Henrik AU - Antonov, Viktor AU - Zhak, Olga AU - Uskoković, Dragan AU - Jatcyk, Bohdan M. PY - 2018 UR - https://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 UR - https://hdl.handle.net/21.15107/rcub_dais_3668 ER -
@conference{ author = "Scherba, Ivan and Noga, Henrik and Antonov, Viktor and Zhak, Olga and Uskoković, Dragan and Jatcyk, Bohdan M.", year = "2018", 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", url = "https://hdl.handle.net/21.15107/rcub_dais_3668" }
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. in Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018 Belgrade : Materials Research Society of Serbia., 109-109. https://hdl.handle.net/21.15107/rcub_dais_3668
Scherba I, Noga H, Antonov V, Zhak O, Uskoković D, Jatcyk BM. Crystal structure and X-Ray spectroscopic properties of R.E.2Ni12P5 compounds. in Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018. 2018;:109-109. https://hdl.handle.net/21.15107/rcub_dais_3668 .
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" in Programme and The Book of Abstracts / Twentieth Annual Conference YUCOMAT 2018, Herceg Novi, September 3-7, 2018 (2018):109-109, https://hdl.handle.net/21.15107/rcub_dais_3668 .