title: Structural insights for the design of new borate-phosphates: synthesis, crystal structure and optical properties of Pb₄O(BO₃)(PO₄) and Bi₄O₃(BO₃)(PO₄).
abstract: Two new metal borate-phosphates, Pb4O(BO3)(PO4) (1) and Bi4O3(BO3)(PO4) (2), have been successfully designed and synthesized. The structures of the title compounds were determined by single-crystal X-ray diffraction. The title compounds have similar crystal structures consisting of oxygen-centered (OPb4) or (OBi4) tetrahedra as well as isolated BO3 and PO4 groups. Structural comparison and the Madelung energy calculation indicate that the title compounds also exhibit a strong correlation with the known metal borates and phosphates. In addition, a strategy of BO3-PO4 substitution is proposed for designing new borate-phosphates. Thermal analyses, IR spectroscopy and UV-vis-NIR diffuse reflectance spectroscopy have also been performed.
authors.affiliation: Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China. slpan@ms.xjb.ac.cn.
authors.forename: Ying
authors.initials: Y
authors.lastname: Wang
authors.forename: Shilie
authors.initials: S
authors.lastname: Pan
authors.forename: Shengshi
authors.initials: S
authors.lastname: Huang
authors.forename: Lingyun
authors.initials: L
authors.lastname: Dong
authors.forename: Min
authors.initials: M
authors.lastname: Zhang
authors.forename: Shujuan
authors.initials: S
authors.lastname: Han
authors.forename: Xian
authors.initials: X
authors.lastname: Wang