A new mixed halide, Cs2HgI2Cl2: molecular engineering for a new nonlinear optical material in the infrared region.

A new mixed halide, Cs(2)HgI(2)Cl(2), which contains the highly polar tetrahedron of anion (HgI(2)Cl(2))(2-), has been designed and synthesized by reaction in solution. In its single crystal, the isolated (HgCl(2)I(2))(2-) groups are arranged to form chains. The chains are then further connected into a three-dimensional framework through the Cs atoms that occupy the empty spaces surrounded by halide atoms.

[Microstructure study on bismuth triborate crystal and its melt at high temperature by Raman spectroscopy].

Temperature dependent Raman spectra of BiB3 O6 crystal and its melt were recorded and the microstructure of BiB3 O6 melt was predicted. Multiple theoretical methods including quantum chemistry ab initio calculation and DFT (Density Function Theory) methods were applied to simulate the BiB3 O6 crystal and melt structure and Raman spectra. It was demonstrated that B-O triangles and Bi lattice in the crystal reveal little affected in structure while B-O tetrahedra shows severe distortion with increasing temperature, especially B-O tetrahedra disappears after being completely melt.

Ba2AgInS4 and Ba4MGa5Se12 (M = Ag, Li): syntheses, structures, and optical properties.

The first two members in alkaline-earth/group XI/group XIII/chalcogen system, namely Ba(2)AgInS(4) and Ba(4)AgGa(5)Se(12), were synthesized along with a Li analogue Ba(4)LiGa(5)Se(12). Ba(2)AgInS(4) crystallizes in space group P2(1)/c. It contains [AgInS(4)](4-) layers built from AgS(3) triangles and InS(4) tetrahedra with Ba(2+) cations inserted between the layers.

NaGe3P3: a new ternary germanium phosphide featuring an unusual [Ge3P7] ring.

A new ternary germanium phosphide, NaGe(3)P(3), was obtained for the first time with the use of NaP as the reactive flux. It crystallizes in the orthorhombic space group Pmc2(1). The basic structural unit is an unprecedented [Ge(3)P(7)] ring built from one Ge(P)(4) tetrahedron, one Ge(Ge)(P)(3) tetrahedron and one Ge(Ge)(P)(2) trigonal pyramid with Ge in mixed valences of 4+, 3+ and 1+.

High-efficiency third harmonic generation at 355nm based on La2CaB10O19.

La2CaB10O19 (LCB) crystals with size up to 55 × 35 × 25 mm3 have been grown by the top-seeded solution growth (TSSG) method. The refractive indices were accurately measured over the full transmission range, and the second-order nonlinear optical coefficients were determined by the Maker fringe technique. The phase-matching(PM) conditions were calculated for third-harmonic generation (THG) at different wavelengths.

Ba5Ga4Se10: a new selenidogallate containing the novel [Ga4Se10](10-) anionic cluster with Ga in a mixed-valence state.

The new compound Ba(5)Ga(4)Se(10) has been synthesized for the first time. It crystallizes in the tetragonal space group I4/mcm with a = 8.752(2) Å, c = 13.

4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 2,4,6-trimethyl-benzene-sulfonate monohydrate.

In the crystal structure of the title organic salt, C(16)H(19)N(2) (+)·C(9)H(11)O(3)S(-)·H(2)O, the cations pack head-to-tail within a sheet and are aligned in opposite directions in neighboring sheets. The benzene ring of the anion makes an angle of 76.99 (6)° with the plane of the cationic chromophore.

Ba3Y2B6O15, a novel cubic borate.

Single crystals of tribarium diyttrium hexaborate, which crystallized in the cubic system, have been obtained by spontaneous crystallization from a high-temperature melt using Li(2)O-BaO-B(2)O(3) as flux. Its structure is composed of isolated [B(2)O(5)](4-) groups, irregular BaO(9) polyhedra and regular YO(6) polyhedra which occupy alternate sites running along the [111] direction. Irregular BaO(9) polyhedra and regular YO(6) polyhedra construct a three-dimensional framework, which is reinforced by [B(2)O(5)](4-) groups.

BaAl4Se7: a new infrared nonlinear optical material with a large band gap.

The new compound BaAl(4)Se(7) has been synthesized by solid-state reaction. It crystallizes in the non-centrosymmetric space group Pc and adopts a three-dimensional framework built from AlSe(4) tetrahedra and with Ba(2+) cations in the cavities. The material has a large band gap of 3.

BaGa4Se7: a new congruent-melting IR nonlinear optical material.

The new compound BaGa(4)Se(7) has been synthesized for the first time. It crystallizes in the monoclinic space group Pc with a = 7.6252 (15) Å, b = 6.

Diode-pumped laser properties of Nd3+-doped La2CaB10O19 crystal including two-frequency generation with 4.6 THz separation.

We have studied under laser diode pumping near 800 nm the continuous wave laser operation of the Nd(3+) -doped La(2)CaB(10)O(19) biaxial noncentrosymmetric crystal. From Z-oriented samples we have obtained lasing at 1051.4 nm of Nd(3+) ions located in the regular La(3+) sites.

Growth and optical properties of a new nonlinear Na(3)La(9)O(3)(BO(3))(8) crystal.

New nonlinear crystals Na(3)La(9)O(3)(BO(3))(8) (abbreviated as NLBO) with desired morphologies, high quality and weight exceeding 40g have been grown along different directions, such as [001], [110], and [100], by top-seeded solution growth(TSSG) method. The refractive indices were accurately measured over the full transmission range, and the second-order nonlinear optical coefficients were determined by the Maker fringe technique. The optimal phase-matching (PM) conditions and the corresponding effective nonlinear coefficient were calculated for second harmonic generation (SHG) at different wavelengths.

Potassium zinc borate, KZnB(3)O(6).

The title compound, KZnB(3)O(6) contains a remarkable [B(6)O(12)](6-) group ( symmetry) formed by two rings linked by edge-sharing BO(4) tetra-hedra, a feature that has only been observed previously under high pressure conditions. These borate groups are connected through distorted ZnO(4) tetra-hedra in edge-shared pairs ( symmetry), forming a three-dimensional network whose cavities are filled by K(+) cations.

Nonapotassium trialuminium hexa-phosphate.

In the title compound, K(9)Al(3)(PO(4))(6), the anionic substructure is built of inter-linked [PO(4)] and [AlO(4)] tetra-hedra. Each O atom of the [AlO(4)] tetra-hedron is common to a positionally different [PO(4)] tetra-hedron; thus, each [AlO(4)] tetra-hedron is surrounded by four positionally different [PO(4)] tetra-hedra. On the other hand, each [PO(4)] tetra-hedron shares its two O atoms with two positionally different [AlO(4)] tetra-hedra; the other two phosphate O atoms are terminal ones coordinated by K atoms.

The β-modification of trizinc borate phosphate, Zn(3)(BO(3))(PO(4)).

Crystals of β-Zn(3)(BO(3))(PO(4)) have been grown by the Kyropoulos method. The asymmetric unit contains three Zn sites, three B-atom sites (all with symmetry 3), two P sites (both with m symmetry) and nine O-atom sites (four with m symmetry). The fundamental building units of the title structure are isolated BO(3) triangles and PO(4) tetra-hedra, which are bridged by ZnO(4) tetra-hedra or ZnO(5) trigonal bipyramids through common O atoms, leading to a three-dimensional framework structure.