Kristallstrukturen mit Bausteinen des CaBe2Ge2-Typs – Die Verbindungen Sm2Pt6P3 und Ca2Pd3Sb4 / Crystal Structures with CaBe2Ge2-Type Units – The Compounds Sm2Pt6P3 and Ca2Pd3Sb4

2006 ◽  
Vol 61 (6) ◽  
pp. 672-676 ◽  
Author(s):  
Anette Imre ◽  
Dirk Johrendt ◽  
Albrecht Mewis
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Crystal Structures ◽  
Significant Difference ◽  
Tetragonal Type

Single crystals of Sm2Pt6P3 (a = 4.095(1), c = 45.313(9) Å ) were prepared by heating the elements in a melt of NaCl/KCl at 1100°C. The compound crystallizes with a new tetragonal type of structure (I41/amd; Z = 4) consisting of units which correspond to the CaBe2Ge2 type except for one significant difference: In the layer of PPt4 tetrahedra only two of four P positions are occupied. Therefore this layer is built up by corner- instead of edge-sharing PPt4 tetrahedra. Four of these units are stacked along [001]. Single crystals of Ca2Pd3Sb4 (a = 4.506(1), c = 41.538(8) Å ) were obtained by reaction of the elements at 900°C. The crystal structure (I4/mmm; Z = 4) consists of two blocks. The first one has the composition CaPd2Sb3 and can be derived from the CaBe2Ge2 type. In the second one (formula CaPdSb) the atoms are arranged analogous to the CeMg2Si2 type. Both blocks alternate along [001]

scholarly journals Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data

2015 ◽  
Vol 71 (11) ◽  
pp. 1325-1327 ◽  
Author(s):  
Maxim Bykov ◽  
Elena Bykova ◽  
Vadim Dyadkin ◽  
Dominik Baumann ◽  
Wolfgang Schnick ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Crystal Structures ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Determinations ◽  
Anisotropic Displacement Parameters

Hitherto, phosphorus oxonitride (PON) could not be obtained in the form of single crystals and only powder diffraction experiments were feasible for structure studies. In the present work we have synthesized two polymorphs of phosphorus oxonitride, cristobalite-type (cri-PON) and coesite-type (coe-PON), in the form of single crystals and reinvestigated their crystal structures by means of in house and synchrotron single-crystal X-ray diffraction. The crystal structures ofcri-PON andcoe-PON are built from PO2N2tetrahedral units, each with a statistical distribution of oxygen and nitrogen atoms. The crystal structure of thecoe-PON phase has the space groupC2/cwith seven atomic sites in the asymmetric unit [two P and three (N,O) sites on general positions, one (N,O) site on an inversion centre and one (N,O) site on a twofold rotation axis], while thecri-PON phase possesses tetragonalI-42dsymmetry with two independent atoms in the asymmetric unit [the P atom on a fourfold inversion axis and the (N,O) site on a twofold rotation axis]. In comparison with previous structure determinations from powder data, all atoms were refined with anisotropic displacement parameters, leading to higher precision in terms of bond lengths and angles.

Synthese und Kristallstruktur von Dibariumzink-bis(cyclotriborat) Ba2Zn(B3O6)2/Synthesis and Crystal Structure of Di-barium Zinc Bis-cyclotriborate Ba2Zn(B3O6)2

1996 ◽  
Vol 51 (3) ◽  
pp. 309-312 ◽  
Author(s):  
Silke Busche ◽  
Karsten Bluhm
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Single Crystals ◽  
Crystal Structures ◽  
Structure Type ◽  
Lattice Parameters ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Unknown Structure

Abstract Single crystals of the new compound Ba2Zn(B3O6)2 were obtained by using a B2O3 flux technique. They crystallize in an as yet unknown structure type. X-ray investigations led to space group Ci1-P1̄ (Nr.2) with lattice parameters a = 715.5(2), b = 720.5(2), c = 1178.9(4), a = 78.96(2)°, β = 85.45(2)°, γ = 60.12(1)°, Z = 2. The structure is characterized by iso­lated (B3O6)3--rings and contains two ninefold coordinated Ba-sites. Zn2+ is tetrahedrally coordinated by oxygen. The relation to the crystal structures of high-temperature BaB2O4 and Ba2Ca(B3O6)2 is discussed.

Crystal structures of hydrates of simple inorganic salts. II. Water-rich calcium bromide and iodide hydrates: CaBr2·9H2O, CaI2·8H2O, CaI2·7H2O and CaI2·6.5H2O

2014 ◽  
Vol 70 (9) ◽  
pp. 876-881 ◽  
Author(s):  
Erik Hennings ◽  
Horst Schmidt ◽  
Wolfgang Voigt
Keyword(s):  
Crystal Structure ◽  
Phase Diagram ◽  
Liquid Phase ◽  
Aqueous Solutions ◽  
Single Crystals ◽  
Crystal Structures ◽  
Room Temperature ◽  
Inorganic Salts ◽  
Solid Liquid

Single crystals of calcium bromide enneahydrate, CaBr2·9H2O, calcium iodide octahydrate, CaI2·8H2O, calcium iodide heptahydrate, CaI2·7H2O, and calcium iodide 6.5-hydrate, CaI2·6.5H2O, were grown from their aqueous solutions at and below room temperature according to the solid–liquid phase diagram. The crystal structure of CaI2·6.5H2O was redetermined. All four structures are built up from distorted Ca(H2O)8antiprisms. The antiprisms of the iodide hydrate structures are connected eitherviatrigonal-plane-sharing or edge-sharing, forming dimeric units. The antiprisms in calcium bromide enneahydrate are monomeric.

Notizen: Notiz zur Kristallstruktur von APb2Cl5-Verbindungen / Notice about Crystal Structures of APb2Cl5-Compounds

1976 ◽  
Vol 31 (6) ◽  
pp. 885 ◽  
Author(s):  
H.-L. Keller.
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

Single crystals of TlPb2Cl5 and NH4Pb2Cl5 were prepared. X-ray diffraction data confirm the space group C2h5—P21/c (No. 14). Crystal structure determination shows a new typ, belonging to the PbCl2-structure.

Dimers [Al2N6]12- and Chains 1∞[AlN4/23-] in the Crystal Structures of Ca6[Al2N6] and Ba3[Al2N4]

1999 ◽  
Vol 54 (4) ◽  
pp. 461-465 ◽  
Author(s):  
M. Ludwig ◽  
R. Niewa ◽  
R. Kniep
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Crystal Structures ◽  
Pale Yellow

Pale yellow transparent single crystals of Ca6[Al2N6] (P21/c, No. 14, a = 693.7(3), b = 614.9(3), c = 987.1(5) pm, ß = 94.01(5)°; Z = 4) and colourless transparent single crystals of Ba3[Al2N4] (Pnna, No. 52, a = 617.9(2), b = 1005.2(4), c = 1023.0(4) pm; Z = 4) were obtained from reactions of mixtures of the representative metals with nitrogen at Tmax = 1000 °C. The crystal structure of Ca6[Al2N6] contains isolated units [Al2N6]12- built of two edge-sharing tetrahedra. Ba3[Al2N4] is an isotype of Sr3[Al2N4]. The crystal structure contains infinite chains 1∞ [AlN4/23-] of trans edge-sharing tetrahedra.

The first report of the crystal structure of non-solvated μ-oxo boron subphthalocyanine and the crystal structures of two solvated forms

2012 ◽  
Vol 68 (6) ◽  
pp. 636-645 ◽  
Author(s):  
Mabel V. Fulford ◽  
Alan John Lough ◽  
Timothy P. Bender
Keyword(s):  
Crystal Structure ◽  
Chemical Synthesis ◽  
Single Crystal ◽  
Single Crystals ◽  
Crystal Structures ◽  
Solvent Free ◽  
X Ray ◽  
Hydrated Crystal ◽  
Boron Subphthalocyanine ◽  
Work Up

The first instance of the solvent-free X-ray determined single-crystal structure of the oxygen-bridged boron subphthalocyanine dimer [μ-oxo-(BsubPc)2, C48H24B2N12O] is reported. Single crystals obtained by train sublimation were found to have μ-oxo-(BsubPc)2 organized into a C2/c space group. The crystal structure obtained by sublimation is of particular interest as it is highly symmetric and also of notably high density when compared with other BsubPc crystals. The acquisition of this crystal structure came about from the direct chemical synthesis of μ-oxo-(BsubPc)2 followed by a work-up which culminated in obtaining the single crystals by sublimation. Several methods for the direct chemical synthesis of μ-oxo-(BsubPc)2 were also investigated each using dichlorobenzene as the solvent. On standing, these reaction mixtures produced a crystal of the dichlorobenzene (DCB) solvate of μ-oxo-(BsubPc)2 [μ-oxo-(BsubPc)2·2DCB]. It is also reported that the conversion of bromo-boron subphthalocyanine (Br-BsubPc) to μ-oxo-(BsubPc)2 happens on train sublimation which resulted in the acquisition of a partially hydrated crystal [μ-oxo-(BsubPc)2·0.25H2O].

Effect of Mn3+ doping on crystal structure, point defects, and optical properties in green Ca3(VO4)2 single crystals

2021 ◽  
pp. 111300
Author(s):  
Galina M. Kuz’micheva ◽  
Liudmila. I. Ivleva ◽  
Irina A. Kaurova ◽  
Evgeny V. Khramov ◽  
Victor B. Rybakov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Single Crystals ◽  
Point Defects

Effect of solution acidity on the crystallization of polychromates in uranyl-bearing systems: synthesis and crystal structures of Rb2[(UO2)(Cr2O7)(NO3)2] and two new polymorphs of Rb2Cr3O10

2021 ◽  
Vol 236 (1-2) ◽  
pp. 11-21
Author(s):  
Evgeny V. Nazarchuk ◽  
Oleg I. Siidra ◽  
Dmitry O. Charkin ◽  
Stepan N. Kalmykov ◽  
Elena L. Kotova
Keyword(s):  
Crystal Structure ◽  
Aqueous Solutions ◽  
Crystal Structures ◽  
Hydrothermal Treatment ◽  
Ambient Conditions ◽  
Screw Axis ◽  
3D Framework ◽  
Solution Acidity

Abstract Three new rubidium polychromates, Rb2[(UO2)(Cr2O7)(NO3)2] (1), γ-Rb2Cr3O10 (2) and δ-Rb2Cr3O10 (3) were prepared by combination of hydrothermal treatment at 220 °C and evaporation of aqueous solutions under ambient conditions. Compound 1 is monoclinic, P 2 1 / c $P{2}_{1}/c$ , a = 13.6542(19), b = 19.698(3), c = 11.6984(17) Å, β = 114.326(2)°, V = 2867.0(7) Å3, R 1 = 0.040; 2 is hexagonal, P 6 3 / m $P{6}_{3}/m$ , a = 11.991(2), c = 12.828(3) Å, γ = 120°, V = 1597.3(5) Å3, R 1 = 0.031; 3 is monoclinic, P 2 1 / n $P{2}_{1}/n$ , a = 7.446(3), b = 18.194(6), c = 7.848(3) Å, β = 99.953(9)°, V = 1047.3(7) Å3, R 1 = 0.037. In the crystal structure of 1, UO8 bipyramids and NO3 groups share edges to form [(UO2)(NO3)2] species which share common corners with dichromate Cr2O7 groups producing novel type of uranyl dichromate chains [(UO2)(Cr2O7)(NO3)2]2−. In the structures of new Rb2Cr3O10 polymorphs, CrO4 tetrahedra share vertices to form Cr3O10 2− species. The trichromate groups are aligned along the 63 screw axis forming channels running in the ab plane in the structure of 2. The Rb cations reside between the channels and in their centers completing the structure. The trichromate anions are linked by the Rb+ cations into a 3D framework in the structure of 3. Effect of solution acidity on the crystallization of polychromates in uranyl-bearing systems is discussed.

scholarly journals Crystal Chemical Relations in the Shchurovskyite Family: Synthesis and Crystal Structures of K2Cu[Cu3O]2(PO4)4 and K2.35Cu0.825[Cu3O]2(PO4)4

Crystals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 807
Author(s):  
Ilya V. Kornyakov ◽  
Sergey V. Krivovichev
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Structural Complexity ◽  
Crystal Chemical ◽  
X Ray Diffraction ◽  
Complexity Measures ◽  
X Ray ◽  
The Family ◽  
Similarities And Differences ◽  
Related Compounds

Single crystals of two novel shchurovskyite-related compounds, K2Cu[Cu3O]2(PO4)4 (1) and K2.35Cu0.825[Cu3O]2(PO4)4 (2), were synthesized by crystallization from gaseous phase and structurally characterized using single-crystal X-ray diffraction analysis. The crystal structures of both compounds are based upon similar Cu-based layers, formed by rods of the [O2Cu6] dimers of oxocentered (OCu4) tetrahedra. The topologies of the layers show both similarities and differences from the shchurovskyite-type layers. The layers are connected in different fashions via additional Cu atoms located in the interlayer, in contrast to shchurovskyite, where the layers are linked by Ca2+ cations. The structures of the shchurovskyite family are characterized using information-based structural complexity measures, which demonstrate that the crystal structure of 1 is the simplest one, whereas that of 2 is the most complex in the family.

scholarly journals Some Novel Cobalt Diphenylphosphine Complexes: Synthesis, Characterization, and Behavior in the Polymerization of 1,3-Butadiene

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 4067
Author(s):  
Giovanni Ricci ◽  
Giuseppe Leone ◽  
Giorgia Zanchin ◽  
Benedetta Palucci ◽  
Alessandra Forni ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
The Novel ◽  
X Ray Diffraction ◽  
X Ray ◽  
And Behavior

Some novel cobalt diphenylphosphine complexes were synthesized by reacting cobalt(II) chloride with (2-methoxyethyl)diphenylphosphine, (2-methoxyphenyl)diphenylphosphine, and 2-(1,1-dimethylpropyl)-6-(diphenylphosphino)pyridine. Single crystals suitable for X-ray diffraction studies were obtained for the first two complexes, and their crystal structure was determined. The novel compounds were then used in association with methylaluminoxane (MAO) for the polymerization of 1,3-butadiene, and their behavior was compared with that exhibited in the polymerization of the same monomer by the systems CoCl2(PnPrPh2)2/MAO and CoCl2(PPh3)2/MAO. Some significant differences were observed depending on the MAO/Co ratio used, and a plausible interpretation for such a different behavior is proposed.

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