Crystal Structure and Properties of Ti2In5

1995 ◽  
Vol 50 (10) ◽  
pp. 1505-1509 ◽  
Author(s):  
Rainer Pöttgen
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Room Temperature ◽  
Type Structure ◽  
Structure And Properties ◽  
Specific Resistivity ◽  
X Ray Diffraction ◽  
X Ray ◽  
Metallic Conductor

Ti2In5 was prepared from the elemental components in a tantalum tube at 970 K and investigated by X-ray diffraction of powders as well as of single crystals. The crystal structure was refined from four-circle diffractometer data: P4/mbm, a = 1000.35(5) pm, c = 299.77(2) pm, V = 0.29998(5) nm3, Z = 2, wR2 = 0.0367 for 369 F2 values and 15 variables. Ti2In5 crystallizes with the Mn2Hg5 type structure. The indium atoms form consecutive planar layers which may be considered as a tesselation of triangles, squares, and pentagons. The titanium atoms occupy the pentagonal prismatic voids between these layers. Ti2In5 is Pauli paramagnetic and a good metallic conductor with a specific resistivity of 50 μΩcm at room temperature. The compound was previously described with the composition “Ti3In4”.

The crystal structure of a simple enol formed in a single-crystal-to-single-crystal enolene rearrangement

2004 ◽  
Vol 82 (2) ◽  
pp. 301-305 ◽  
Author(s):  
Kenneth CW Chong ◽  
Brian O Patrick ◽  
John R Scheffer
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
Room Temperature ◽  
Thermal Reaction ◽  
Thermal Rearrangement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Phenyl Ketone

When crystals of 9-tricyclo[4.4.1.0]undecalyl-4-(carbomethoxy)phenyl ketone (1) were allowed to stand in the dark for extended periods of time at room temperature, the compound underwent a thermal reaction — the enolene rearrangement — to afford enol 2. The crystals remained transparent and appeared unchanged in shape as the reaction proceeded. X-ray diffraction data were collected on single crystals containing 17%, 25%, 66%, and 100% of the enol. The crystal structure of a simple enol was obtained via this novel single-crystal-to-single-crystal enolene rearrangement.Key words: single crystal, thermal, rearrangement, enol, enolene.

Synthesis and Characterization of a Cubic Iron Hydroxy Boracite

2011 ◽  
Vol 66 (2) ◽  
pp. 107-114 ◽  
Author(s):  
Stephanie C. Neumair ◽  
Johanna S. Knyrim ◽  
Oliver Oeckler ◽  
Reinhard Kaindl ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Single Crystals ◽  
Room Temperature ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
High Pressure High Temperature

The cubic iron hydroxy boracite Fe3B7O13OH・1.5H2O was synthesized from Fe2O3 and B2O3 under high-pressure/high-temperature conditions of 3 GPa and 960 °C in a modified Walker-type multianvil apparatus. The crystal structure was determined at room temperature by X-ray diffraction on single crystals. It crystallizes in the cubic space group F4̄3c (Z = 8) with the parameters a = 1222.4(2) pm, V = 1.826(4) nm3, R1 = 0.0362, and wR2 = 0.0726 (all data). The B-O network is similar to that of other cubic boracites.

High-pressure Synthesis, Crystal Structure, and Properties of the First Ternary Zirconium Borate β-ZrB2O5

2008 ◽  
Vol 63 (6) ◽  
pp. 707-712 ◽  
Author(s):  
Johanna S. Knyrim ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Room Temperature ◽  
High Pressure Phase ◽  
Structure And Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
High Pressure High Temperature ◽  
Pressure Synthesis ◽  
Pressure Phase

The high-pressure phase β -ZrB2O5 represents the first ternary borate in the system Zr-B-O. The compound was synthesized under high-pressure / high-temperature conditions of 7.5 GPa and 1100 °C in a Walker-type multianvil apparatus. The crystal structure was determined on the basis of single crystal X-ray diffraction data, collected at room temperature. The monoclinic zirconium borate crystallizes in the space group P21/c with the lattice parameters a = 439.04(9), b = 691.2(2), c = 896.8(2) pm, and β = 90.96(3)°. The structure is isotypic to the high-pressure phase β -HfB2O5, which is built up from layers of exclusively corner-sharing BO4 tetrahedra. Between these layers, the cations are coordinated square-antiprismatically by eight oxygen atoms.

Synthese, Kristallstruktur und Eigenschaften von 1,1,1,3,3, 3 - Hexaamino - 1λ5,3λ5-diphosphazeniumehlorid [(NH2)3PNP(NH2)3]Cl / Synthesis, Crystal Structure, and Properties of 1,1,1,3,3,3-Hexaamino- 1λ5 ,3λ5-diphosphazenium Chloride [(NH2)3 PNP(NH2)3 ]Cl

1996 ◽  
Vol 51 (12) ◽  
pp. 1732-1738 ◽  
Author(s):  
Stefan Horstmann ◽  
Wolfgang Schnick
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Temperature Gradient ◽  
Single Crystal ◽  
Single Crystals ◽  
Room Temperature ◽  
Acetonitrile Solution ◽  
Structure And Properties ◽  
X Ray ◽  
Ray Methods

[(NH2)3PNP(NH2)3]Cl has been prepared by a three step synthesis. The last step is the ammonolysis of [Cl3PNPCl3]Cl. Single crystals of 1,1,1,3,3,3-hexaamino-1λ5, 3λ5-diphosphazenium chloride were obtained from an acetonitrile solution in a temperature gradient between 60 °C and room temperature. Between room temperature and -100 °C [(NH2)3PNP(NH2)3]Cl is subject to a phase transition. Therefore, the crystal structure was determined by single crystal X-ray methods at room temperature (P1̄, a = 584.7(1) pm, b = 732.1(1) pm, c = 1092.0(2) pm. q = 71.05(3)°, β = 76.36(3)°, γ = 89.83(3)°, Z = 2, R = 4.75 %, wR = 2.47 %). The cation [(NH2)3PNP(NH2)3]+ is built up by two corner sharing PN4 tetrahedra. Remarkably short P-N bonding distances have been observed and both PN4 tetrahedra exhibit a significant distortion resulting in two large and four small N-P-N bond angles.

EuPdGe - a New Germanide with EuNiGe Type Structure

1995 ◽  
Vol 50 (8) ◽  
pp. 1181-1184 ◽  
Author(s):  
Rainer Pöttgen
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Title Compound ◽  
Type Structure ◽  
X Ray Diffraction ◽  
X Ray

The title compound was prepared from the elemental components in a tantalum tube at 1070 K and investigated by X-ray diffraction of both powder as well as single crystals. The crystal structure was refined from four-circle diffractometer data: P21/n, a = 618.1(1), b = 613.6(1), c = 743.9(1) pm, β = 109.40(1)°, V = 0.2661(1) nm3, Z = 4, wR2 = 0.0536 for 1564 F2 values and 29 variables. EuPdGe crystallizes with the EuNiGe type structure. Both Pd and Ge atoms in EuPdGe have three germanium or palladium neighbors, respectively. They form two-dimensionally infinite [PdGe] polyanions which consist of corrugated 4.82 nets. These polyanions are separated by the europium atoms.

The Stannide Zr5CuSn3

1997 ◽  
Vol 52 (1) ◽  
pp. 141-144 ◽  
Author(s):  
Rainer Pöttgen
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Melting Furnace ◽  
Type Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Arc Melting

Zr5CuSn3 was prepared from the elements in an arc-melting furnace and investigated by X-ray diffraction of powders as well as of single crystals. The crystal structure was refined from four-circle diffractometer data: P63/mcm, a = 860.04(7) pm, c = 586.80(5) pm, V = 0.3759(1) nm3, Z = 2, wR2 = 0.0402 for 371 F2 values and 15 variables. A refinement of the occupancy parameters re­vealed that the copper position is occupied to only 95.3(8)% in the crystal used for the X-ray investigation. Zr5CuSn3 crystallizes in the Hf5CuSn3 type structure, a filled variant of the Mn5Si3 type. The main features of the Zr5CuSn3 structure are condensed Zr6 octahedra that are centered by copper atoms

scholarly journals Thermal Properties and Crystal Structure of BaC4H4O6 Single Crystals

2016 ◽  
Vol 9 (1) ◽  
pp. 30
Author(s):  
Takanori Fukami ◽  
Seiya Hiyajyo ◽  
Shuta Tahara ◽  
Chitoshi Yasuda
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Room Temperature ◽  
Decomposition Product ◽  
Structural Parameters ◽  
Group Symmetry ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Weight Losses

Single crystals of barium L-tartrate, BaC4H4O6, were grown at 308 K by a gel method using silica gel as the growth medium. Differential scanning calorimetry, thermogravimetric-differential thermal analysis, and X-ray diffraction measurements were performed on the single crystals. The space group symmetry (orthorhombic, P212121) and structural parameters were determined at room temperature. The crystal structure consisted of BaO9 polyhedra, C4H4O6 molecules, and zig-zag hydrogen-bonded chains along the a- and c-axes linked by O–H···O and C–H···O hydrogen bonds between adjacent molecules. Weight losses due to thermal decomposition of BaC4H4O6 occurred in the temperature range of 450–1530 K. We suggest that the evolution of 2H2, 2CO, CO, (1/2)O2, and O2 gases caused the observed weight losses and that the decomposition product, barium monocarbide BaC, formed a residue in the vessel.

Effect of trytophan as dopant on potassium acid phthalate single crystals

2019 ◽  
Author(s):  
Chem Int
Keyword(s):  
Single Crystals ◽  
Room Temperature ◽  
Visible Region ◽  
X Ray Diffraction ◽  
X Ray ◽  
Slow Evaporation Technique ◽  
Absorption Studies ◽  
Evaporation Technique ◽  
Potassium Acid Phthalate ◽  
Acid Phthalate

Optically transparent single crystals of potassium acid phthalate (KAP, 0.5 g) 0.05 g and 0.1 g (1 and 2 mol %) trytophan were grown in aqueous solution by slow evaporation technique at room temperature. Single crystal X- ray diffraction analysis confirmed the changes in the lattice parameters of the doped crystals. The presence of functional groups in the crystal lattice has been determined qualitatively by FTIR analysis. Optical absorption studies revealed that the doped crystals possess very low absorption in the entire visible region. The dielectric constant has been studied as a function of frequency for the doped crystals. The thermal stability was evaluated by TG-DSC analysis.

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.

scholarly journals Exploring the Structural Chemistry of Pyrophosphoramides: N,N′,N″,N‴-Tetraisopropylpyrophosphoramide

Chemistry ◽  
2021 ◽  
Vol 3 (1) ◽  
pp. 149-163
Author(s):  
Duncan Micallef ◽  
Liana Vella-Zarb ◽  
Ulrich Baisch
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
Room Temperature ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray

N,N′,N″,N‴-Tetraisopropylpyrophosphoramide 1 is a pyrophosphoramide with documented butyrylcholinesterase inhibition, a property shared with the more widely studied octamethylphosphoramide (Schradan). Unlike Schradan, 1 is a solid at room temperature making it one of a few known pyrophosphoramide solids. The crystal structure of 1 was determined by single-crystal X-ray diffraction and compared with that of other previously described solid pyrophosphoramides. The pyrophosphoramide discussed in this study was synthesised by reacting iso-propyl amine with pyrophosphoryl tetrachloride under anhydrous conditions. A unique supramolecular motif was observed when compared with previously published pyrophosphoramide structures having two different intermolecular hydrogen bonding synthons. Furthermore, the potential of a wider variety of supramolecular structures in which similar pyrophosphoramides can crystallise was recognised. Proton (1H) and Phosphorus 31 (31P) Nuclear Magnetic Resonance (NMR) spectroscopy, infrared (IR) spectroscopy, mass spectrometry (MS) were carried out to complete the analysis of the compound.

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