Crystal structures of two new Ba borates pentaborate, Ba2[B5O9]Cl·0.5H2O and Ba2[B5O8(OH)2](OH)

“…In the structure of the latter compound, the pentaborate polyanion has an unusual arrange ment perpendicular to the layer. The results reported in [6] are, on the whole, of no doubt. However, the R factor was 0.092 based on 857 reflections, whereas the R factor calculated based on all 1554 reflections was 0.336.…”

Section: Synthesis and Properties Of Crystalsmentioning

confidence: 66%

“…The crystals are hygroscopic and unstable in air. The unit cell parameters determined on a Syntex P 1 diffractometer are equal to those determined earlier [6] for centrosymmetric barium pentaborate. In the structure of the latter compound, the pentaborate polyanion has an unusual arrange ment perpendicular to the layer.…”

Section: Synthesis and Properties Of Crystalsmentioning

confidence: 80%

“…In this study we synthesized crystals and investi gated the structure of the new centrosymmetric hexab orate Ва 0.975 [B 6 2 ](ОН), whose structure has been determined earlier with high R fac tor [6], were repeatedly synthesized, and the crystal structure of this compound was refined. For the polar layered pentaborates Na 4 4 ] · Н 2 О, which have been structurally characterized earlier [7,8], higher quality crystals were synthesized, the second harmonic generations (SHG) were measured, the similarity and differences in the structures were analyzed, and the structureproperty relationship was considered.…”

Section: Introductionmentioning

confidence: 99%

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Structures and properties of layered barium borates Ba0.975[B6O9(OH)(O0.975Br0.025) · B2O(OH)3], Ba2[B5O8(OH)2](OH), Na2Ba2[B20O34(OH)4], and Ba5[B20O33(OH)4]H2O

2012

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A new hexaborate, Ba 0.975 [B 6 O 9 (OH)(O 0.975 Br 0.025 ) · B 2 O(OH) 3 ], was synthesized under hydro thermal conditions. This compound is structurally similar to tunnelite and the synthetic borates Pb[B 6 O 10 (OH) · B 2 O(OH) 3 ], Pr[B 6 O 10 (OH) · B 2 O(OH) 4 ], and Nd[B 6 O 10 · B 3 O 3 (OH) 4 ] · H 2 O studied ear lier. In the new hexaborate and the refined pentaborate Ba 2 [B 5 O 8 (OH) 2 ]OH, in which the polyanions adopt an orientation in layers unusual for pentaborates, thermal vibrations of the terminal groups were revealed. This fact reflects the real crystal structure. The nonlinear optical properties of the crystals of the polar pent aborate Na 4 Ba 4 [B 20 O 34 (OH) 4 ] were determined. The crystal structure of the related pentaborate Ba 5 [B 20 O 33 (OH) 4 ]H 2 O was considered. The factors most likely responsible for the difference in the second harmonic generation signal for this pair were revealed.

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“…Other (Table) investigated earlier using separated single crystals with not high quality [22,23], have been synthesized at higher t,p and solution concentration. The new conditions leaded to significant improvement of the quality of crystals and crystallization of layered borate as a single phase and, therefore, detecting and reliably measurements it's nonlinear optical activity, not observed in earlier experiments.…”

Section: Fig 3 Hilgardite Family (A) Camentioning

confidence: 99%

Systematic, properties, and structure predictions of new borate materials

Белоконева¹

2008

Cryst. Res. Technol.

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New borates with the non-linear optical properties, obtained and investigated in Moscow State University in the last years, are reviewed. The positions of compounds in systematic were determined including complicate cases using topology and symmetry analysis of anionic radicals with the separation of blocks, typical for borate groups. Such approach revealed structural correlations between borates and silicates and led to prediction of new structures, two of which are realized. The origin of properties is connected with the highly polarizable electron density on lone pair or asymmetric bonds, presented in the structures. Experimental observation electron density distrubution has been made for Pb-hilgardite, a crystal with the high optical nonlinearity. Different approaches to the structure-properties relation are discussed. Dedicated to Prof. Ladislav Bohatý on the occasion of his 60th birthday

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Crystal structures of two new Ba borates pentaborate, Ba2[B5O9]Cl·0.5H2O and Ba2[B5O8(OH)2](OH)

Cited by 39 publications

References 7 publications

Borate crystal chemistry in terms of the extended OD theory: topology and symmetry analysis

Borate crystal chemistry in terms of the extended OD theory: topology and symmetry analysis

Structures and properties of layered barium borates Ba0.975[B6O9(OH)(O0.975Br0.025) · B2O(OH)3], Ba2[B5O8(OH)2](OH), Na2Ba2[B20O34(OH)4], and Ba5[B20O33(OH)4]H2O

Systematic, properties, and structure predictions of new borate materials

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