Lingyun Dong

Pb4Zn2B10O21: a congruently melting lead zinc borate with a novel [B10O24] anionic group and an interesting [Pb4O12]∞ chain

A new lead zinc borate, Pb4Zn2B10O21, has been synthesized and the crystal structure was determined by single crystal X-ray diffraction. It crystallizes in the orthorhombic group Pbcn with a = 14.6062(15) A, b = 17.4899(16) A, c = 13.2962(15) A, Z = 8. Interestingly, in the crystal structure, a new B–O building unit [B10O24] group is observed and the four different coordinated Pb atoms are connected with each other by sharing a corner, edge or face to form an interesting regular [Pb4O12]∞ chain. The DSC analysis proves that Pb4Zn2B10O21 melts congruently. First-principles electronic structure calculation shows that the calculated band gap of Pb4Zn2B10O21 is 3.53 eV, which is in good agreement with the experimental value measured from the UV-vis-NIR absorption spectrum, and the observed absorption peak is assigned as a charge transfer from O 2p states to Pb 6p states.

New Molybdenum(VI) Phosphates: Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4 and Noncentrosymmetric Rb4Mo5P2O22

Two new molybdenum(VI) phosphates, RbMoO(2)PO(4) and Rb(4)Mo(5)P(2)O(22), have been synthesized by standard solid-state reactions, and their structures were determined by single-crystal X-ray diffraction. The former is centrosymmetric, whereas the latter is noncentrosymmetric and chiral. Their crystal structures both consist of corner- and edge-shared MoO(6) octahedra, PO(4) tetrahedra, and RbO(n) (n = 8 or 10) polyhedra and exhibit three- and one-dimensional structures, respectively. Powder second-harmonic generation (SHG) measurements revealed an SHG efficiency of approximately 1.4 × KH(2)PO(4) (KDP) for Rb(4)Mo(5)P(2)O(22). Thermal analysis, infrared and UV-vis-NIR diffuse reflectance spectroscopy, and electronic band structure calculations were also performed on the reported materials. Crystal data are the following: RbMoO(2)PO(4), orthorhombic, space group Fddd (No. 70), a = 11.012(5) Å, b = 12.403(5) Å, c = 15.839(7) Å, V = 2163.3(16) Å(3), and Z = 16; Rb(4)Mo(5)P(2)O(22), orthorhombic, space group C222(1) (No. 20), a = 6.5300(5) Å, b = 19.7834(18) Å, c = 17.3451(15) Å, V = 2240.7(3) Å(3), and Z = 4.

Ba4(BO3)3(SiO4)·Ba3X (X = Cl, Br): new salt-inclusion borosilicate halides as potential deep UV nonlinear optical materials

Based on the combination of two different anionic groups (SiO4 and BO3) and the utility of a XBa6 (X = Cl, Br) polar template, two new salt-inclusion compounds, Ba4(BO3)3(SiO4)·Ba3X (X = Cl, Br) have been successfully synthesized by the high-temperature solution method for the first time. They are isostructural and their structures feature the ∞3[Ba4(BO3)3(SiO4)] framework with 1D channels along the c axis, in which resided the polar ∞1[Ba3X] chains. It is worth noting that they are the first alkaline-earth metal borosilicate halides to be used as nonlinear optical (NLO) materials. The second harmonic generation (SHG) measurements show that they have SHG responses similar to that of KH2PO4 (KDP) and are type-I phase-matchable. In addition, they melt congruently and exhibit a wide transparent region with the UV cut-off edge below 190 nm. These properties make Ba4(BO3)3(SiO4)·Ba3X potential deep UV NLO materials.

K7B2P5O19: a novel alkali metal borophosphate with zero dimensional [B2P5O19]7− anionic units

A new anhydrous alkali metal borophosphate, K7B2P5O19, which exhibits a novel zero-dimensional [B2P5O19]7− anionic unit with internally connected P–O–P bonds, has been successfully synthesized and structurally characterized.

Synthesis and characterization of a new aluminophosphate with a Al3P6O249− three-dimensional framework

A novel mixed-alkali metal aluminophosphate, K6Na3Al3P6O24, has been successfully synthesized and structurally characterized. The compound contains a unique Al3P6O249− three-dimensional framework composed of AlO4 and PO4 tetrahedra with an Al/P ratio of 1/2. This compound melts congruently and is optically transparent from 352 to 2600 nm.

Syntheses, Structures, and Characterization of Two New Rubidium Cadmium(II)/Zinc(II) Borates: Rb3MB5O10 (M = Cd, Zn)

Abstract Two new ternary borates, Rb3MB5O10 (M = Zn, Cd) have been synthesized by solid-state reactions, and their structures were determined by single-crystal X-ray diffraction. They crystallize in the same monoclinic space group P21/n with lattice constants a = 10.449(11) A˚ , b = 9.414(10) A˚ , c = 11.690(12) A˚ , and b = 105.888(11)º for Rb3ZnB5O10, while a = 7.6391(5)A˚ , b =19.2304(13)A˚ , c = 7.6905(5)A˚ , and β = 116.698(4)º for Rb3CdB5O10. And their crystal structures both contain the interesting two-dimension (2D) infinite [MB5O10]1∞ (M = Zn, Cd) layers. However, owing to the different configurations and stacking directions of the [MB5O10]1∞ (M = Zn, Cd) layers, Rb3ZnB5O10 and Rb3CdB5O10 are not isostructural. The IR spectra further confirm the presence of both BO3 and BO4 groups and UV-Vis-NIR diffuse reflectance spectra show their band gaps are 2.66 and 2.34 eV for Rb3ZnB5O10 and Rb3CdB5O10, respectively.

BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion

Exploring mixed anion materials is an ongoing challenge because of their important characteristics. However, there are no effective ways to guarantee the connection modes of anion groups and the structures of mixed anion materials so far. We have developed BaSO4 as an anion group provider and structure template to synthesize mixed anion materials.