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

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.

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Crystal structure refinement of new vanadates Ca8−xPbxCdBi(VO4)7

Powder Diffraction ◽

10.1017/s0885715617000264 ◽

2017 ◽

Vol 32 (S1) ◽

pp. S106-S109 ◽

Cited By ~ 2

Author(s):

Daria Petrova ◽

Dina Deyneko ◽

Sergey Stefanovich ◽

Bogdan Lazoryak

Keyword(s):

Crystal Structure ◽

Solid State ◽

Second Harmonic ◽

Structure Refinement ◽

Polar Space ◽

Crystal Structure Refinement ◽

Unit Cell Parameters ◽

Solid State Method ◽

Cell Parameters ◽

State Method

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.

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Crystal structure of new phosphates Ca9–xPbxEu(PO4)7 from Rietveld refinement

Powder Diffraction ◽

10.1017/s0885715615000068 ◽

2015 ◽

Vol 30 (S1) ◽

pp. S101-S103 ◽

Cited By ~ 1

Author(s):

Dina Deyneko ◽

Sergey Stefanovich ◽

Bogdan Lazoryak

Keyword(s):

Crystal Structure ◽

Solid State ◽

Harmonic Generation ◽

Nonlinear Optical ◽

Second Harmonic ◽

Rietveld Method ◽

Polar Space ◽

Unit Cell Parameters ◽

Cell Parameters ◽

Air Atmosphere

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.

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Ferroelectric properties and structural refinement of whitlockite-type phosphate Ca8.5Pb0.5Ho(PO4)7

Powder Diffraction ◽

10.1017/s0885715617000252 ◽

2017 ◽

Vol 32 (S1) ◽

pp. S168-S171

Author(s):

Dina V. Deyneko ◽

Darya A. Petrova ◽

Olga N. Leonidova ◽

Ivan V. Nikiforov ◽

Bogdan I. Lazoryak

Keyword(s):

Second Harmonic ◽

Rietveld Method ◽

Ferroelectric Properties ◽

Polar Space ◽

Structural Refinement ◽

Space Group ◽

Cell Parameters ◽

Oxygen Coordination ◽

Exact Distributions ◽

Structural Mechanisms

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.

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Synthesis, structure, thermal and non-linear optical properties of L-argininium hydrogen selenite

Acta Crystallographica Section B Structural Science ◽

10.1107/s0108768101009880 ◽

2001 ◽

Vol 57 (6) ◽

pp. 828-832 ◽

Cited By ~ 7

Author(s):

E. de Matos Gomes ◽

E. Nogueira ◽

I. Fernandes ◽

M. Belsley ◽

J. A. Paixão ◽

...

Keyword(s):

Optical Properties ◽

Second Harmonic ◽

Unit Cell Parameters ◽

Scanning Calorimetry ◽

Cell Parameters ◽

Non Linear ◽

Powder Samples ◽

Linear Optical Properties ◽

Linear Optical ◽

Harmonic Power

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.

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Non-linear optical behavior of benzothiazole based chromophores: Second harmonic generation

Dyes and Pigments ◽

10.1016/j.dyepig.2020.108739 ◽

2020 ◽

Vol 183 ◽

pp. 108739

Author(s):

Shivani ◽

Ishpreet Kaur ◽

Karthika Chemmanghattu ◽

Paramjit Kaur ◽

Kamaljit Singh

Keyword(s):

Second Harmonic Generation ◽

Harmonic Generation ◽

Second Harmonic ◽

Non Linear ◽

Linear Optical ◽

Optical Behavior

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Synthesis, crystal growth and second harmonic generation properties of trivalent rare-earth-doped non-linear tungsten–bronze-type structure Ba2Na1−3xRExNb5O15 (RE=Sc, Y, La, Gd, Yb and Lu)

Journal of Crystal Growth ◽

10.1016/s0022-0248(02)01972-3 ◽

2003 ◽

Vol 247 (1-2) ◽

pp. 148-156 ◽

Cited By ~ 26

Author(s):

A Yoshikawa ◽

H Itagaki ◽

T Fukuda ◽

K Lebbou ◽

A El Hassouni ◽

...

Keyword(s):

Rare Earth ◽

Crystal Growth ◽

Second Harmonic Generation ◽

Harmonic Generation ◽

Second Harmonic ◽

Tungsten Bronze ◽

Type Structure ◽

Non Linear ◽

Trivalent Rare Earth ◽

Rare Earth Doped

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Crystal structure of potassium tetraperoxomolybdate (VI) K2[Mo(O2)4]

Powder Diffraction ◽

10.1154/1.1997170 ◽

2005 ◽

Vol 20 (3) ◽

pp. 203-206 ◽

Cited By ~ 4

Author(s):

M. Grzywa ◽

M. Różycka ◽

W. Łasocha

Keyword(s):

Crystal Structure ◽

Low Temperature ◽

Diffraction Pattern ◽

Powder Diffraction ◽

Rietveld Method ◽

Structure Refinement ◽

Crystal Structure Refinement ◽

Unit Cell Parameters ◽

X Ray ◽

Cell Parameters

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.

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L-alaninium perrhenate: crystal structure and non-linear optical properties

Open Chemistry ◽

10.2478/s11532-014-0548-9 ◽

2014 ◽

Vol 12 (10) ◽

pp. 1016-1022 ◽

Cited By ~ 1

Author(s):

Vitor Rodrigues ◽

Maria Costa ◽

Etelvina Gomes ◽

Dmitry Isakov ◽

Michael Belsley

Keyword(s):

Crystal Structure ◽

Optical Properties ◽

Second Harmonic ◽

Negative Ions ◽

Damage Threshold ◽

Linear Optics ◽

Second Harmonic Generation Efficiency ◽

Non Linear ◽

Linear Optical Properties ◽

Linear Optical

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.

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Neutron Powder Diffraction Investigation of Pd2.7Ni0.3P0.94

Materials Science Forum ◽

10.4028/www.scientific.net/msf.443-444.353 ◽

2004 ◽

Vol 443-444 ◽

pp. 353-356

Author(s):

M. Vennström ◽

Y. Andersson

Keyword(s):

Crystal Structure ◽

Solid Solution ◽

Powder Diffraction ◽

Rietveld Method ◽

Neutron Powder Diffraction ◽

Unit Cell ◽

Type Structure ◽

Unit Cell Parameters ◽

Cell Parameters ◽

Method Show

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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