Synthesis, crystal structure and optical properties of the new lead fluoride borate-Pb{sub 2}BO{sub 3}F

Journal Article · Tue Nov 15 00:00:00 EST 2011 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2011.08.024· OSTI ID:21580048

Wenwu, Zhao ^[1]; Jian, Han ^[1]; Jiyong, Yao ^[2]; Yun, Yang; Junjie, Li; Min, Zhang ^[1]; Lianhan, Zhang; Yin, Hang ^[3]

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1. Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011 (China)
2. Technical Institute of Physics and Chemistry, Beijing 100049 (China)
3. Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China)

A new compound, Pb{sub 2}BO{sub 3}F, has been grown by high temperature solution method from the PbO-PbF{sub 2}-B{sub 2}O{sub 3} system for the first time. The crystal structure of this compound has been identified by single crystal X-ray diffraction analysis. It crystallizes in the hexagonal system, space group P6{sub 3}/m (No. 176) with unit-cell parameters a=7.2460(3) A, c=14.5521(17) A, Z=6, V=661.69(9) A{sup 3}. Its structure was solved by the direct methods and refined to R{sub 1}=0.0163 and wR{sub 2}=0.0367. The structure of Pb{sub 2}BO{sub 3}F consists of the distorted PbO{sub 3}F{sub 2} groups and BO{sub 3} triangles, which are all symmetric with each other in the gestalt structure to the extent that the Pb{sub 2}BO{sub 3}F compound crystallizes in the symmetric space group. The powder X-ray diffraction pattern of the Pb{sub 2}BO{sub 3}F has been measured. The BO{sub 3} functional groups presented in the sample were identified by FTIR spectrum. The DTA curve of Pb{sub 2}BO{sub 3}F suggests that Pb{sub 2}BO{sub 3}F melts congruently at 448 deg. C. - Graphical Abstract: The Pb atoms are in the five coordination environments bonded to three O atoms and two F atoms to make up the distortional PbO{sub 3}F{sub 2} polyhedra. Every six PbO{sub 3}F{sub 2} polyhedra are connected by one F(1) atom to form the symmetrical structure, and then the distortion of the PbO{sub 3}F{sub 2} polyhedra is offset. Highlights: > A new compound, Pb{sub 2}BO{sub 3}F, has been grown by high temperature solution method from the PbO-PbF{sub 2}-B{sub 2}O{sub 3} system for the first time. > It crystallizes in the hexagonal system, space group P6{sub 3}/m (No. 176) with unit-cell parameters a=7.2460(3) A, c=14.5521(17) A, Z=6, V=661.69(9) A{sup 3}. > UV-vis-NIR Diffuse-Reflectance spectrum shows that its ultraviolet cutoff edge is about 288 nm. > DTA curve of Pb{sub 2}BO{sub 3}F suggests that Pb{sub 2}BO{sub 3}F melts congruently at 448 deg. C.

• OSTI ID: 21580048
• Journal Information: Journal of Solid State Chemistry, Vol. 184, Issue 11; Other Information: DOI: 10.1016/j.jssc.2011.08.024; PII: S0022-4596(11)00464-6; Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ATOMS
BORATES
BORON OXIDES
DIFFERENTIAL THERMAL ANALYSIS
FOURIER TRANSFORMATION
HEXAGONAL LATTICES
INFRARED SPECTRA
LEAD FLUORIDES
LEAD OXIDES
MONOCRYSTALS
OPTICAL PROPERTIES
SPACE GROUPS
SYNTHESIS
TEMPERATURE RANGE 0400-1000 K
X-RAY DIFFRACTION
BORON COMPOUNDS
CHALCOGENIDES
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CRYSTALS
DIFFRACTION
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
INTEGRAL TRANSFORMATIONS
LEAD COMPOUNDS
LEAD HALIDES
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
SCATTERING
SPECTRA
SYMMETRY GROUPS
TEMPERATURE RANGE
THERMAL ANALYSIS
TRANSFORMATIONS