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Two oxoborates, (Pb3O)(2)(BO3)(2)MO4 (M = CF, MO), have been prepared by solid-state reactions below 700 degrees C. Single-crystal XRD analyses showed that the CF Compound crystallizes in the orthorhombic group Pnma with a = 6.4160(13) angstrom, b = 11.635(2) angstrom, c = 18.164(4) angstrom, Z = 4 and the Mo analog in the group Cmcm with a = 18.446(4) angstrom, b = 6.3557(13) angstrom, c = 11.657(2) angstrom, Z = 4. Both compounds are characterized by one-dimensional (1)(infinity)[Pb3O](4+) chains formed by corner-sharing OPb4 tetrahedra. BO3 and CrO4 (MoO4) groups are located around the chains to hold them together via Pb-O bonds. The IR spectra further confirmed the presence of BO3 groups in both structures and UV-vis diffuse reflectance spectra showed band gaps of about 1.8 and 2.9 eV for the CF and MID Compounds, respectively. Band structure calculations indicated that (Pb3O)(2)(BO3)(2)MoO4 is a direct semiconductor with the calculated energy gap of about 2.4 eV. (C) 2009 Elsevier Inc. All Fights reserved.
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JOURNAL OF SOLID STATE CHEMISTRY
ISSN: 0022-4596
年份: 2009
期: 11
卷: 182
页码: 3091-3097
3 . 3 0 0
JCR@2022
ESI学科: CHEMISTRY;
JCR分区:2
中科院分区:1