A new nonlinear optical borate, Na{sub 0.5}Pb{sub 2}[B{sub 5}O{sub 9}](OH){sub 1.5} . 0.5H{sub 2}O, from the orthorhombic hilgardite family
Journal Article
·
· Crystallography Reports
- Moscow State University, Department of Crystallography and Crystal Chemistry, Faculty of Geology (Russian Federation)
A new polar representative of the hilgardite structural family, Na{sub 0.5}Pb{sub 2}[B{sub 5}O{sub 9}](OH){sub 1.5} . 0.5H{sub 2}O (space group Pnn2), is synthesized under hydrothermal conditions. The crystal structure of the compound synthesized is similar to the structure of the previously studied polar compound Na{sub 0.5}Pb{sub 2}[B{sub 5}O{sub 9}]Cl(OH){sub 0.5} and is intermediate between the latter compound and the centrosymmetric hydrate Pb{sub 2}[B{sub 5}O{sub 9}](OH) . 0.5H{sub 2}O. The additional peak revealed in the electron density in the vicinity of the Pb(1) atom is attributed to the stereochemically active lone electron pair of this atom. The lone electron pair is oriented toward the two most distant oxygen atoms involved in the Pb(1) coordination environment, namely, O(7) and O(2), which are located in a boron-oxygen framework layer in the ac plane, not toward the (00{sub z}) channel occupied by water molecules. The nonequivalence in the stereochemical activity of two lead atoms [Pb(1) > Pb(2)] is similar to that observed in the nonlinear optical borate Pb{sub 2}[B{sub 4}O{sub 5}(OH){sub 4}](OH){sub 2} . H{sub 2}O related to BiB{sub 3}O{sub 6}.
- OSTI ID:
- 21091485
- Journal Information:
- Crystallography Reports, Journal Name: Crystallography Reports Journal Issue: 3 Vol. 51; ISSN 1063-7745; ISSN CYSTE3
- Country of Publication:
- United States
- Language:
- English
Similar Records
Crystal structure of the lead bromo-borate Pb{sub 2}[B{sub 5}O{sub 9}]Br from precision single-crystal X-ray diffraction data and the problem of optical nonlinearity of hilgardites
A new modification of Ba[B{sub 5}O{sub 8}(OH)] . H{sub 2}O, the refined structure of Ba{sub 2}[B{sub 5}O{sub 9}]Cl . 0.5H{sub 2}O, and the role of the pentaborate structural units in the formation of the quadratic optical nonlinearity
A new modification of Ba[B{sub 5}O{sub 8}(OH)] {center_dot} H{sub 2}O, the refined structure of Ba{sub 2}[B{sub 5}O{sub 9}]Cl {center_dot} 0.5H{sub 2}O, and the role of the pentaborate structural units in the formation of the quadratic optical nonlinearity
Journal Article
·
Sat Sep 15 00:00:00 EDT 2007
· Crystallography Reports
·
OSTI ID:21090780
A new modification of Ba[B{sub 5}O{sub 8}(OH)] . H{sub 2}O, the refined structure of Ba{sub 2}[B{sub 5}O{sub 9}]Cl . 0.5H{sub 2}O, and the role of the pentaborate structural units in the formation of the quadratic optical nonlinearity
Journal Article
·
Sat Mar 15 00:00:00 EDT 2008
· Crystallography Reports
·
OSTI ID:21090611
A new modification of Ba[B{sub 5}O{sub 8}(OH)] {center_dot} H{sub 2}O, the refined structure of Ba{sub 2}[B{sub 5}O{sub 9}]Cl {center_dot} 0.5H{sub 2}O, and the role of the pentaborate structural units in the formation of the quadratic optical nonlinearity
Journal Article
·
Sat Mar 15 00:00:00 EDT 2008
· Crystallography Reports
·
OSTI ID:22054327