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Synthesis, Single‐Crystal Structure, Dielectric Properties of a New Phosphate K 3 Bi 6.5 (PO 4 ) 7.5
Author(s) -
Falah Chiraz,
Ben Smida Youssef,
Sdiri Nasr,
Soltani Taoufik
Publication year - 2021
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.202000228
Subject(s) - monoclinic crystal system , valence (chemistry) , crystallography , dielectric , crystal structure , chemistry , single crystal , bismuth , bond length , zigzag , tetrahedron , crystal (programming language) , materials science , geometry , mathematics , optoelectronics , organic chemistry , computer science , programming language
New potassium bismuth phosphate K 3 Bi 6.5 (PO 4 ) 7.5 has been synthesized by solid‐state reaction and characterized by single‐crystal X‐ray diffraction. This compound crystallizes in the monoclinic system, space group C 2, with a = 17.637(8) Å, b = 6.9261(8) Å, c = 22.385(4)Å, β = 104.35(2)°, and Z = 4. The crystal structure model is supported by the two methods; the charge distribution (CHARDI) and bond valence sum (BVS). The crystal structure is made up of BiO n ( n = 5, 6, 7, 8) polyhedra and PO 4 tetrahedra sharing corners and edges to form a three‐dimensional anionic framework. The bond valence sum energy (BVSE) model of simulation shows that the potassium atoms move along [101] direction with a zigzag pathways form with an empirical activation energy of about 1.56 eV. The dielectric properties are carried out at room temperature and show high permittivity values with low dielectric loss.