Ca6.5Pb1.5ZnBi(VO4)7, a novel whitlockite-type vanadate: crystal structure refinement and properties characterization

2017 ◽  
Vol 32 (3) ◽  
pp. 175-178 ◽  
Author(s):  
Daria Petrova ◽  
Dina Deyneko ◽  
Sergey Stefanovich ◽  
Sergey Aksenov ◽  
Bogdan Lazoryak

Novel compounds Ca8−xPbxZnBi(VO4)7 (0 ≤ x ≤ 1.5) solid solution with the whitlockite-type structure were synthesized by a standard solid-state method. The unit-cell parameters were determined by X-ray powder diffraction and using Le Bail decomposition. The crystal structural of Ca6.5Pb1.5ZnBi(VO4)7 was refined by Rietveld method. It is found that Pb2+ cations occupy a half of the M3 site, whereas the M1 and M2 sites are predominantly occupied by calcium with admixture of Bi3+ cations. The M5 site is fully occupied by Zn2+ cations. The M4 site in the structure of studied sample remains vacant and does not participate in the cations arrangement. Optical second harmonic generation demonstrates high non-linear optical activity. Dielectric investigations confirm polar space group R3c. Changes in the non-linear optical and ferroelectric parameters are matched with lead and zinc cation distribution over the sites of the whitlockite-type structure.

2017 ◽  
Vol 32 (S1) ◽  
pp. S106-S109 ◽  
Author(s):  
Daria Petrova ◽  
Dina Deyneko ◽  
Sergey Stefanovich ◽  
Bogdan Lazoryak

New Ca8−xPbxCdBi(VO4)7 with the whitlockite-type structure were prepared by a standard solid-state method in air. Le Bail decomposition was used to determine unit-cell parameters. Structural refining was carried out by Rietveld's method. It is found that Bi3+ cations located partially in M1 and M2 sites along with calcium, while M3 site is settled in half by Pb2+-ions. Second-harmonic generation demonstrate highest non-linear optical activity and along with dielectric investigations indicate polar space group R3c.


2015 ◽  
Vol 30 (S1) ◽  
pp. S101-S103 ◽  
Author(s):  
Dina Deyneko ◽  
Sergey Stefanovich ◽  
Bogdan Lazoryak

New phosphates Ca9–xPbxEu(PO4)7 were obtained by solid state reaction techniques at 1213–1253 K in air atmosphere and were found to be isotypic with whitlockite-type β-Ca3(PO4)2. The unit cell parameters were determinate using Le Bail decomposition. Rietveld method structural refining showed that Eu3+ ions are located statistically with calcium in M1, M2, and M3 sites, whereas Pb2+-ions are preferentially located in the M3. Examination of optical second harmonic generation evidences nonlinear optical activity and confirms polar space group R3c.


2017 ◽  
Vol 32 (S1) ◽  
pp. S168-S171
Author(s):  
Dina V. Deyneko ◽  
Darya A. Petrova ◽  
Olga N. Leonidova ◽  
Ivan V. Nikiforov ◽  
Bogdan I. Lazoryak

The system of phosphates Ca9−xPbxHo(PO4)7 were obtained by solid-state reaction and were found to be isotypic with whitlockite-type β-Ca3(PO4)2 (polar space group R3c). The crystal structure encloses five crystallographic sites M1–M5 different in size and oxygen coordination. The unit-cell parameters were determinate using Le Bail decomposition. Rietveld method structural refining showed that Ho3+ ions are located statistically with calcium in M1 and M2 sites, while Pb2+-ions are located in the M3 site. Examination of optical second-harmonic generation evidences non-linear optical activity and confirms polar space group R3c. Structural mechanisms and dielectric features of phase transitions are strongly influenced by the exact distributions of atoms over the crystallographic sites.


2001 ◽  
Vol 57 (6) ◽  
pp. 828-832 ◽  
Author(s):  
E. de Matos Gomes ◽  
E. Nogueira ◽  
I. Fernandes ◽  
M. Belsley ◽  
J. A. Paixão ◽  
...  

L-Argininium hydrogen selenite (C6H15N4O2HSeO3) is a new semiorganic compound of the hydrogen selenite family with non-linear optical properties. The crystal lattice is monoclinic with unit-cell parameters a = 22.493 (5), b = 5.1624 (13), c = 9.730 (4) Å, β = 95.68 (3)°, V = 1124.3 (6) Å3, Z = 4, space group C2. Second-harmonic generation measurements performed on powder samples, using a Q-switched Nd:Yag laser (λ = 1064 nm), showed the second-harmonic power to be about twice that of urea. Differential scanning calorimetry measurements revealed the existence of a phase transition with onset at 289 K.


2020 ◽  
Vol 183 ◽  
pp. 108739
Author(s):  
Shivani ◽  
Ishpreet Kaur ◽  
Karthika Chemmanghattu ◽  
Paramjit Kaur ◽  
Kamaljit Singh

2005 ◽  
Vol 20 (3) ◽  
pp. 203-206 ◽  
Author(s):  
M. Grzywa ◽  
M. Różycka ◽  
W. Łasocha

Potassium tetraperoxomolybdate (VI) K2[Mo(O2)4] was prepared, and its X-ray powder diffraction pattern was recorded at low temperature (258 K). The unit cell parameters were refined to a=10.7891(2) Å, α=64.925(3)°, space group R−3c (167), Z=6. The compound is isostructural with potassium tetraperoxotungstate (VI) K2[W(O2)4] (Stomberg, 1988). The sample of K2[Mo(O2)4] was characterized by analytical investigations, and the results of crystal structure refinement by Rietveld method are presented; final RP and RWP are 9.79% and 12.37%, respectively.


2014 ◽  
Vol 12 (10) ◽  
pp. 1016-1022 ◽  
Author(s):  
Vitor Rodrigues ◽  
Maria Costa ◽  
Etelvina Gomes ◽  
Dmitry Isakov ◽  
Michael Belsley

AbstractThe crystal structure and non-linear optical properties of L-alaninium perrhenate, C3H8NO2+ ReO4 −, are reported. The protonated amino acid and the perrhenate anion have their usual geometries. The three-dimensional hydrogen-bonded network can be seen as a stacking of layers parallel to the (100) planes. Each layer is formed by chains of alternating positive and negative ions along the b and c axes. Hydrogen bonding of adjacent layers forms alternating chains along the a axis. A high damage threshold and a second-harmonic generation efficiency three times that of KDP make this new material potentially useful in non-linear optics.


2004 ◽  
Vol 443-444 ◽  
pp. 353-356
Author(s):  
M. Vennström ◽  
Y. Andersson

Pd3P, which crystallises in the cementite, Fe3C-type structure, forms a solid solution with nickel. The crystal structure contains two crystallographically different palladium sites (8d and 4c). Refinements of neutron powder diffraction intensities using the Rietveld method show that all nickel atoms occupy the eight-fold position. The unit cell parameters were refined to a=5.7812(4) Å, b=7.4756(6) Å and c=5.1376(4) Å, for Pd2.7Ni0.3P0.94.


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