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Synthesis, Crystal Structure, and Properties of a New Lead Aluminum Fluoride Borate, Pb 6 AlB 2 O 7 F 7
Author(s) -
Dong Lingyun,
Pan Shilie,
Yang Zhihua,
Zhao Wenwu,
Dong Xiaoyu,
Wang Ying,
Huang Yineng
Publication year - 2012
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201200374
Subject(s) - boron , aluminium , crystal structure , fluoride , materials science , lead (geology) , inorganic chemistry , crystallography , mineralogy , metallurgy , chemistry , geology , organic chemistry , geomorphology
A new compound, Pb 6 AlB 2 O 7 F 7 , was synthesized from the PbF 2 /B 2 O 3 flux system, which is the first compound found in the PbF 2 /Al 2 O 3 /B 2 O 3 system. It crystallizes in the orthorhombic system, space group Cmca (No. 64) with unit cell parameters a = 11.649(7) Å, b = 18.300(11) Å, c = 6.394(4) Å, Z = 4. The crystal structure of Pb 6 AlB 2 O 7 F 7 contains the group [Pb 6 BO 11 F 10 ] as basal building unit, which connects with each other forming two‐dimensional ∞ [Pb 6 BO 11 F 10 ] layers, whereas aluminum atoms are filled in the interlayers. The IR spectrum further confirms the presence of BO 3 groups. The calculated band structures and the density of states of Pb 6 AlB 2 O 7 F 7 suggest that its indirect gap is 2.968 eV. The DSC analysis and X‐ray diffraction technique prove that Pb 6 AlB 2 O 7 F 7 is a congruent‐melting compound.