New iodate fluoride RbCe(IO)F with nonlinear optical properties.

New noncentrosymmetric cerium(IV) iodate fluoride RbCe(IO)F was prepared employing a hydrothermal technique. The compound crystallizes in the 2 space group (#36) with cell parameters = 11.1518(6) Å, = 8.

Mn Luminescence in CaZnMnNa(PO) Solid Solution, 0 ≤ ≤ 1.

The solid solution CaZnMnNa(PO) (0 ≤ ≤ 1.0) was obtained by solid-phase reactions under the control of a reducing atmosphere. It was demonstrated that Mn-doped phosphors can be obtained using activated carbon in a closed chamber, which is a simple and robust method.

New Series of Red-Light Phosphor CaZnGd(PO):0.1Eu ( = 0-1).

In this study, a new series of phosphors, Ca9−xZnxGd0.9(PO4)7:0.1Eu3+ (x = 0.

Coordination Properties of Hydroxyisophthalic Acids: Topological Correlations, Synthesis, Structural Analysis, and Properties of New Complexes.

Hydroxyisophthalic acids are valuable polytopic ligands for the design of functional materials based on coordination polymers due to the variety of charges and coordination modes they possess. Herein, we describe the synthesis, thermal stability, nonlinear optical (NLO) and spectroscopic properties of five novel coordination compounds, [K L(H O) ], [MgL(H O) ] ⋅ 3H O, [CaL(H O) ], [SrL(H O) ] ⋅ H O, [BaL(H O)(H O) ], and one salt, (NH ) L ⋅ 2H O, with 4,5,6-trihydroxyisophthalic acid (H L), which has not been tested in assembling crystalline coordination networks before. The peculiarities of the structural organization of the compounds were analyzed and compared with those for other hydroxyisophthalates.

RbAgSc(WO): a new glaserite-related structure type, rubidium disorder, ionic conductivity.

A new triple tungstate RbAgSc(WO) (0 ≤ x ≤ 0.15) synthesized by solid state reactions and spontaneous crystallization from melts presents a new structure type related to those of CsNaYb(MoO) and NaSrTa(PO). The title compound in centrosymmetric space group Cmcm contains dimers of two ScO octahedra sharing corners with three bridging WO tetrahedra.

SrIn(VO) as a model ferroelectric in the structural family of β-Ca(PO)-type phosphates and vanadates.

SrIn(VO) was prepared by a solid-state method at 1270 K in air. This vanadate has the β-Ca(PO)-type structure and crystallizes in polar space group 3. The structural parameters of SrIn(VO) were refined by the Rietveld method from laboratory powder X-ray diffraction data (XRD): the lattice parameters are = 11.

PbO(NO): A Nonlinear Optical Oxynitrate Structurally Based on Lead Oxide Framework.

A high second harmonic generation response is demonstrated by a PbO(NO) lead oxynitrate whose identity was verified upon reinvestigation of the PbO-Pb(NO) system. Its crystal structure exhibits a unique cationic [PbO] framework hosting orientationally ordered NO triangles in the channels. Easy preparation and high thermal stability (until ∼500 °C in air) suggest it to be a new promising NLO material.

Bridging the Salt-Inclusion and Open-Framework Structures: The Case of Acentric AgBOX (X = Br, I) Borate Halides.

An acentric borate family, AgBOX (X = Br, I), has been prepared by slow cooling stoichiometric melts in evacuated silica ampules. Their crystal structure is comprised of two porous interpenetrating frameworks and demonstrates a further development of the "salt-inclusion" architecture toward a "covalent-inclusion" structure. The (AgX) sublattice shows strong anharmonic vibrations.

Synthesis, crystal structures and properties of the new compounds KAg(XO) (X = Mo, W).

Two new isostructural compounds, namely heptapotassium silver tetrakis(tetraoxomolybdate), KAg(MoO) (0 ≤ x ≤ 0.4), and heptapotassium silver tetrakis(tetraoxotungstate), KAg(WO) (0 ≤ x ≤ 0.4), have been synthesized and found to crystallize in the polar space group P6mc (Z = 2) with the unit-cell dimensions a = 12.

CsLiZn(WO) and RbLiGa(MoO): different filled derivatives of the cation-deficient CsZn(MoO) structure.

Two new compounds, namely cubic tricaesium lithium dizinc tetrakis(tetraoxotungstate), CsLiZn(WO), and tetragonal trirubidium dilithium gallium tetrakis(tetraoxomolybdate), RbLiGa(MoO), belong to the structural family of CsZn(MoO) (space group I-43d, Z = 4), with a partially incomplete (Zn□) position. In CsLiZn(WO), this position is fully statistically occupied by (ZnLi), and in RbLiGa(MoO), the 2Li + Ga atoms are completely ordered in two distinct sites of the space group I-42d (Z = 4). In the same way, the crystallographically equivalent A cations (A = Cs, Rb) in CsZn(MoO), CsLiZn(WO) and isostructural ALiZn(MoO) and CsLiCo(MoO) are divided into two sites in RbLiGa(MoO), as in other isostructural ALiR(MoO) compounds (AR = TlAl, RbAl, CsAl, CsGa, CsFe).

Complex Structural Behavior of BiMnO Quadruple Perovskite.

Structural properties of a quadruple perovskite BiMnO were investigated by laboratory and synchrotron X-ray powder diffraction between 10 and 650 K, single-crystal X-ray diffraction at room temperature, differential scanning calorimetry (DSC), second-harmonic generation, and first-principles calculations. Three structural transitions were found. Above T = 608 K, BiMnO crystallizes in a parent cubic structure with space group Im3̅.

Syntheses, Crystal Structures, and Nonlinear Optical Activity of CsBa[AnO(CHCOO)] (An = U, Np, Pu) and Unprecedented Octanuclear Complex Units in KR(HO)[UO(CHCOO)] (R = Sr, Ba).

X-ray diffraction was applied to the elucidation of crystal structures of single crystals of CsBa[AnO(CHCOO)], where An = U(I), Np(II), Pu(III), and KR(HO)[UO(CHCOO)], where R = Sr(IV), Ba (polymorphs V-a and V-b). FTIR spectra were analyzed for the uranium-containing crystals I, IV, and V-b. Isostructural cubic crystals I-III are constructed of typical mononuclear anionic complex units [AnO(CHCOO)] and charge-balancing Cs and Ba cations.

Iodide-Iodates M[IO]·AgI, M = Bi, Tb, with a Framework Structure and High Second-Harmonic Generation Optical Response.

Single crystals of two new iodide-iodates, Bi[IO]·AgI and Tb[IO]·AgI, are synthesized in hydrothermal systems. The anionic parts in both iodide-iodates are characterized as a complex charged framework of isolated IO umbrella-like groups and large Bi(Tb)-O polyhedra similar to those previously found in La[IO][IO](PbO). Broad channels along the c-axis contain compensators: (AgI) umbrella-like groups and additional Ag ions which form Ag tetrahedral clusters augmented with I halogen.

BiScO3: centrosymmetric BiMnO3-type oxide.

With neutron powder diffraction, electron diffraction, and second-harmonic generation, we have shown that BiScO3 has a structure closely related to that of multiferroic BiMnO3, but BiScO3 crystallizes in the centrosymmetric space group of C2/c. These results bring up a question about the origin of ferroelectricity in BiMnO3. BiScO3 may serve as a model system to understand the role of Mn3+ ions in the ferroelectricity of BiMnO3.