Hydrothermal synthesis and structural analysis of new mixed oxyanion borates: Ba11B26O44(PO4)2(OH)6, Li9BaB15O27(CO3) and Ba3Si2B6O16

• Published in: Journal of solid state chemistry 2013-07, Vol.203, p.166-173
• Main Authors: Heyward, Carla, McMillen, Colin D., Kolis, Joseph
• Format: Article
• Language: English
• Subjects: Bonding; Borates; Borate–carbonate; Borate–phosphate; Borosilicate; Channels; Condensed matter: structure, mechanical and thermal properties; Crystals; Diffraction; Exact sciences and technology; Hydrothermal; Infrared radiation; Physics; Single crystal structure; Structural analysis; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; X-rays
• ISSN: 0022-4596; 1095-726X
• DOI: 10.1016/j.jssc.2013.04.022

Several new borate compounds, Ba11B26O44(PO4)2(OH)6 (1), Li9BaB15O27(CO3) (2), and Ba3Si2B6O16 (3) were synthesized containing other hetero-oxyanion building blocks in addition to the borate frameworks. They were all prepared under hydrothermal conditions and characterized by single crystal and powder X-ray diffraction, and IR spectroscopy. Crystal data: For 1; space group P21/c, a=6.8909 (14)Å, b=13.629 (3)Å, c=25.851 (5)Å, β=90.04 (3)°; For 2; space group P-31c, a=8.8599 (13)Å, c=15.148 (3)Å; For 3; space group P-1, a=5.0414 (10)Å, b=7.5602 (15)Å, c=8.5374 (17)Å, α=77.15 (3)°, β=77.84 (3)°, γ=87.41 (3)° for 3. Compounds 1 and 2 contain isolated oxyanions [PO4]3− and [CO3]2− respectively, sitting in channels created by the borate framework, while structure 3 has the [SiO4]4− groups directly bonded to the borate groups creating a B–O–Si framework. [Display omitted] •Hydrothermal syntheses of three new mixed oxyanion borates are presented.•Ba11B26O44(PO4)2(OH)6 contains isolated [PO4]3− in voids of the borate framework.•Li9BaB15O27(CO3) contains isolated [CO3]2− in channels created by the framework.•Ba3Si2B6O16 has direct bonding of [SiO4]4− and borates creating a B–O–Si framework.