Structure and Properties of [(CH2OH)3CNH3]H2AsO4

2003 ◽  
Vol 58 (12) ◽  
pp. 722-726 ◽  
Author(s):  
A. Waśkowska ◽  
S. Dacko ◽  
Z. Czapla
Keyword(s):  
Phase Transition ◽  
Second Harmonic ◽  
Three Dimensional ◽  
Structure And Properties ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray ◽  
Dimensional Network ◽  
Network Of Hydrogen Bonds ◽  
Dependent Behaviour

Crystals of [(CH2OH)3CNH3]H2AsO4 have been grown, and X-ray diffraction analysis has shown them to be monoclinic, with space group P21. A three-dimensional network of hydrogen bonds of the type O-H. . . O and N-H. . . O forms strong cation-cation and cation-anion linkages. Stabilizing the structure, they create favourable conditions in the crystal to be polar. The temperature dependent behaviour of the dielectric permittivity, measured along three crystal axes in the range 100 - 300 K, did not show any evidence for a phase transition, while the pyroelectric properties of the crystal confirmed the lack of a centre of symmetry. These polar features locate [(CH2OH)3CNH3]H2AsO4 among the materials applicable to electrooptics and for the second harmonic generation.

scholarly journals Crystal Growth and X-Ray Structure of Metastable α-KC0 PO 4

1994 ◽  
Vol 49 (9) ◽  
pp. 1256-1262 ◽  
Keyword(s):  
Phase Transition ◽  
Crystal Growth ◽  
Metastable Phase ◽  
Three Dimensional ◽  
Hexagonal Structure ◽  
Potassium Ions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Hexagonal Crystals

Crystals of KCoPO4 were obtained by growth in a gel of tetramethoxysilane/water at 64 °C. The hexagonal crystals have space group P63, a = 18.206(1), c = 8.5135(8) [Å], V = 2443.8(4) [Å3]. Z = 24. The structure was solved by single crystal X-ray diffraction methods. The structure is isotypic with α-KZnPO4. It comprises an ordered three dimensional network of alternating CoO4 and PO4 tetrahedra. which has rings of six tetrahedra in the xy plane. These rings form tunnels in the [001] direction, where the potassium ions are located. Upon heating, the compound undergoes a phase transition at about 565 °C; on cooling, the phase transition occurs at 449 °C, where it transforms into another structure which is yet unknown. This indicates that the hexagonal structure is a metastable phase

The equiatomic intermetallics REPtCd (RE= La, Ce, Pr, Nd, Eu) and magnetic properties of CeAuCd

2015 ◽  
Vol 70 (3) ◽  
pp. 197-202 ◽  
Author(s):  
Michael Johnscher ◽  
Frank Tappe ◽  
Oliver Niehaus ◽  
Rainer Pöttgen
Keyword(s):  
Phase Transition ◽  
Three Dimensional ◽  
Induction Melting ◽  
Antiferromagnetic Phase ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
Magnetic Susceptibility Data ◽  
X Ray ◽  
Susceptibility Data

AbstractThe cadmium intermetallics REPtCd (RE = La, Ce, Pr, Nd, Eu) and CeAuCd were synthesized by induction-melting of the elements in sealed niobium ampoules followed by annealing in muffle furnaces. The samples were characterized by powder X-ray diffraction. The structures of CePtCd (ZrNiAl type, $P\bar 62m,$a = 763.8(6), c = 409.1(4) pm, wR2 = 0.0195, 298 F2 values, 14 variables) and EuPtCd (TiNiSi type, Pnma, a = 741.3(2), b = 436.4(1), c = 858.0(4) pm, wR2 = 0.0385, 440 F2 values, 20 variables) were refined from single-crystal data. The REPtCd structures exhibit three-dimensional networks of corner- and edge-sharing Cd@Pt2/6Pt2/3 and Cd@Pt4/4 tetrahedra, which leave cages for the rare earth atoms. Temperature-dependent magnetic susceptibility data of CeAuCd reveal a paramagnetic to antiferromagnetic phase transition at TN = 3.7(5) K.

Synthesis, structure and selective luminescence sensing for iron(III) ions of a three-dimensional zinc(II) (4,6)-connected coordination network

2019 ◽  
Vol 75 (2) ◽  
pp. 141-149 ◽  
Author(s):  
Feng Su ◽  
Cheng-Yong Zhou ◽  
Lin-Tao Wu ◽  
Xi Wu ◽  
Chun Han ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Electronic Configuration ◽  
Organic Ligands ◽  
Tetracarboxylic Acid ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Solvent Stability ◽  
Solvothermal Conditions

Coordination polymers constructed from conjugated organic ligands and metal ions with a d 10 electronic configuration exhibit intriguing properties for chemical sensing and photochemistry. A ZnII-based coordination polymer, namely poly[aqua(μ6-biphenyl-3,3′,5,5′-tetracarboxylato)(μ2-4,4′-bipyridine)dizinc(II)], [Zn2(C16H6O8)(C10H8N2)(H2O)2] n or [Zn2(m,m-bpta)(4,4′-bipy)(H2O)2] n , was synthesized from a mixture of biphenyl-3,3′,5,5′-tetracarboxylic acid [H4(m,m-bpta)], 4,4′-bipyridine (4,4′-bipy) and Zn(NO3)2·6H2O under solvothermal conditions. The title complex has been structurally characterized by IR spectroscopy, elemental analysis, single-crystal X-ray diffraction and powder X-ray diffraction analysis, and features a μ6-coordination mode. The ZnII ions adopt square-pyramidal geometries and are bridged by two syn–syn carboxylate groups to form [Zn2(COO)2] secondary buildding units (SBUs). The SBUs are crosslinked by (m,m-bpta)4− ligands to produce a two-dimensional grid-like layer that exhibits a stair-like structure along the a axis. Adjacent layers are linked by 4,4′-bipy ligands to form a three-dimensional network with a {44.610.8}{44.62} topology. In the solid state, the complex displays a strong photoluminescence and an excellent solvent stability. In addition, the luminescence sensing results indicate a highly selective and sensitive sensing for Fe3+ ions.

scholarly journals Synthesis, Crystal Structure, and Properties of a Zn(II) Coordination Polymer Based on a Difunctional Ligand Containing Triazolyl and Carboxyl Groups

Crystals ◽  
2018 ◽  
Vol 8 (11) ◽  
pp. 424 ◽  
Author(s):  
Jia-Le Li ◽  
Wei-Dong Li ◽  
Zi-Wei He ◽  
Shuai-Shuai Han ◽  
Shui-Sheng Chen
Keyword(s):  
Coordination Polymer ◽  
Weak Interactions ◽  
Layer Structure ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Structure And Properties ◽  
X Ray Diffraction ◽  
Visible Spectroscopy ◽  
X Ray ◽  
Uv Visible

A new compound, namely, [Zn(L)2]n (1) was obtained by the reaction of 2-methyl-4-(4H-1,2,4-triazol-4-yl) benzoic acid (HL) with ZnSO4·7H2O, and the compound was characterized by single-crystal X-ray diffraction, infrared spectroscopy, elemental analysis, powder X-ray diffraction (PXRD), and thermogravimetric analysis. The linear HL ligands were deprotonated to be L− anions and act as two-connectors to link Zn2+ to form a two-dimensional (2D) lay structure with (4, 4) topology. The large vacancy of 2D framework allows another layer structure to interpenetrate, resulting in the formation of 2D + 2D → 2D parallel interpenetration in 1. The weak interactions, such as hydrogen bonding and π–π stacking interactions, connect the adjacent 2D layers into a three-dimensional (3D) coordination polymer. The solid-state UV-visible spectroscopy and luminescent property have also been studied.

Crystal and Molecular Structure of 3-Iodo-2-propynyl-N-butylcarbamate

1997 ◽  
Vol 52 (2) ◽  
pp. 256-258 ◽  
Author(s):  
Evgeni V. Avtomonov ◽  
Rainer Grüning ◽  
Jörg Lorberth
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Carbamate Group ◽  
Oxygen Atoms

Abstract The crystal structure of the title compound has been determined by X-ray diffraction methods. Due to the Lewis acidic character of the iodine substituent a “zig-zag” chain is formed via intermolecular interactions (2.933(4) A) between iodine and oxygen atoms of theocarbamate moiety. A three-dimensional network is formed through hydrogen-bridging (2.04 A) between NH-groups and the oxygen atoms of the neighbouring carbamate group of the next molecule.

Two novel organic–inorganic hybrid materials from tetrachloridometallate(II) salts and 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium

2015 ◽  
Vol 71 (1) ◽  
pp. 48-52 ◽  
Author(s):  
José J. Campos-Gaxiola ◽  
Susana P. Arredondo Rea ◽  
Ramón Corral Higuera ◽  
Herbert Höpfl ◽  
Adriana Cruz Enríquez
Keyword(s):  
Three Dimensional ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
Inorganic Hybrid ◽  
X Ray ◽  
Pyridinium Cation ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

Two organic–inorganic hybrid compounds have been prepared by the combination of the 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium cation with perhalometallate anions to give 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridocobaltate(II), (C12H12N2)[CoCl4], (I), and 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridozincate(II), (C12H12N2)[ZnCl4], (II). The compounds have been structurally characterized by single-crystal X-ray diffraction analysis, showing the formation of a three-dimensional network throughX—H...ClnM−(X= C, N+;n= 1, 2;M= CoII, ZnII) hydrogen-bonding interactions and π–π stacking interactions. The title compounds were also characterized by FT–IR spectroscopy and thermogravimetric analysis (TGA).

Rare Earth-rich Magnesium Compounds RE4RhMg (RE = Y, La–Nd, Sm, Gd–Tm, Lu)

2007 ◽  
Vol 62 (5) ◽  
pp. 642-646 ◽  
Author(s):  
Selcan Tuncel ◽  
Ute Ch. Rodewald ◽  
Bernard Chevalier ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
High Frequency ◽  
Three Dimensional ◽  
Earth Metal ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Magnesium Compounds ◽  
Rare Earth Coordination ◽  
Trigonal Prismatic

Abstract The series of magnesium compounds RE4RhMg (RE = Y, La-Nd, Sm, Gd-Tm, Lu) was prepared by high-frequency melting of the elements in sealed tantalum tubes. All samples were investigated by powder X-ray diffraction. The structures with RE = Sm, Gd, Dy, Ho, and Er as rare earth metal components were refined from single crystal diffractometer data: Gd4RhIn-type, F4̄3m, Z = 16, a = 1392.1(1) pm, wR2 = 0.060, 616 F2 values, 19 variables for Sm4RhMg, a = 1380.8(2) pm, wR2 = 0.071, 530 F2 values, 19 variables for Gd4RhMg, a = 1366.9(1) pm, wR2 = 0.070, 594 F2 values, 20 variables for Dy4RhMg, a = 1355.7(2) pm, wR2 = 0.077, 578 F2 values, 20 variables for Ho3.52RhMg1.48, and a = 1355.4(2) pm, wR2 = 0.075, 559 F2 values, 20 variables for Er3.94RhMg1.06 .The rhodium atoms have slightly distorted trigonal prismatic rare earth coordination. Condensation of the RhRE6 prisms leads to a three-dimensional network which leaves large voids that are filled by regular Mg4 tetrahedra with a Mg-Mg distance of 312 pm in Sm4RhMg. The magnesium atoms have twelve nearest neighbors (3 Mg + 9 RE) in icosahedral coordination. In the structures with holmium and erbium, the RE1 positions which are not involved in the trigonal prismatic network exhibit RE1/Mg mixing. Shortest distances occur for Sm-Rh (286 pm) within the rigid three-dimensional network of condensed trigonal prisms.

Poly[[μ-(1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonato)]sodium]: a powder X-ray diffraction study

2013 ◽  
Vol 69 (8) ◽  
pp. 815-818 ◽  
Author(s):  
Mwaffak Rukiah ◽  
Thaer Assaad
Keyword(s):  
Hydrogen Bonding ◽  
Rietveld Method ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The title two-dimensional coordination polymer, [Na(C2H8NO6P2)]n, was characterized using powder X-ray diffraction data and its structure refined using the Rietveld method. The asymmetric unit contains one Na+cation and one (1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonate) anion. The central Na+cation exhibits distorted octahedral coordination geometry involving two deprotonated O atoms, two hydroxy O atoms and two double-bonded O atoms of the bisphosphonate anion. Pairs of sodium-centred octahedra share edges and the pairs are in turn connected to each other by the biphosphonate anion to form a two-dimensional network parallel to the (001) plane. The polymeric layers are connected by strong O—H...O hydrogen bonding between the hydroxy group and one of the free O atoms of the bisphosphonate anion to generate a three-dimensional network. Further stabilization of the crystal structure is achived by N—H...O and O—H...O hydrogen bonding.<!?tpb=18.7pt>

Synthesis, Structure, and Magnetic Properties of EuAgCd and YbAgCd

2001 ◽  
Vol 56 (7) ◽  
pp. 598-603 ◽  
Author(s):  
◽  
Gunter Kotzyba ◽  
Rolf-Dieter Hoffmann ◽  
Rainer Pöttgen
Keyword(s):  
High Frequency ◽  
Small Difference ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Pauli Paramagnetism ◽  
Long Range Ordering ◽  
Ferromagnetic Ordering ◽  
Experimental Magnetic Moment

Abstract New intermetallic compounds EuAgCd and YbAgCd were synthesized in quantitative yield by reaction of the elements in sealed tantalum tubes in a high-frequency furnace. Both com­ pounds were investigated by X-ray diffraction on powders and single crystals: KHg2 type, Imma, a = 490.41(8), b = 771.0(1), c = 834.4(2) pm, wR2 = 0.0624, 255 F2 values, 12 variables for EuAgCd, and MgZn2 type, Pb3/mmc, a = 584.66(5), c = 946.83(9) pm, wR2 = 0.0502, 187 F2 values, 11 variables for YbAgCd. Owing to the very small difference in scattering power, no long range ordering of the silver and cadmium atoms is evident from the X-ray data, although Ag-Cd ordering is expected. The silver and cadmium atoms randomly occupy the mercury and zinc positions of the KHg2 and MgZn2 type structures, respectively. In EuAgCd the [AgCd] substructure consists of strongly puckered, orthorhombically distorted Ag3 Cd3 hexagons, while a three-dimensional network of face-and comer-sharing tetrahedra is observed in YbAgCd. The rare earth atoms fill the space between the Ag3 Cd3 hexagons (EuAgCd) or within the three-dimensional tetrahedral network (YbAgCd). Magnetic susceptibility measurements in­ dicate Pauli paramagnetism for YbAgCd and Curie-Weiss behavior above 60 K for EuAgCd with an experimental magnetic moment of 7.82(3) μB/Eu indicating divalent ytterbium and europium. Ferromagnetic ordering at Tc = 28.0(5) K is observed for EuAgCd. At 2 K and 5 T the saturation magnetization is 5.85(5) μB/Eu.

scholarly journals Synthesis, crystal structure and charge-distribution validation of a new alluaudite-type phosphate, Na2.22Mn0.87In1.68(PO4)3

2020 ◽  
Vol 76 (8) ◽  
pp. 1369-1372
Author(s):  
Abdessalem Badri ◽  
Inmaculada Alvarez-Serrano ◽  
María Luisa López ◽  
Mongi Ben Amara
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Three Dimensional ◽  
Structure Type ◽  
X Ray Diffraction ◽  
Flux Method ◽  
X Ray ◽  
Coordination Numbers ◽  
Dimensional Network ◽  
Anionic Framework

Na2.22Mn0.87In1.68(PO4)3, sodium manganese indium tris(phosphate) (2.22/0.87/1.68), was obtained in the form of single crystals by a flux method and was structurally characterized by single-crystal X-ray diffraction. The compound belongs to the alluaudite structure type (space group C2/c) with general formula X(2)X(1)M(1)M(2)2(PO4)3. The X(2) and X(1) sites are partially occupied by sodium [occupancy 0.7676 (17) and 1/2] while the M(1) and M(2) sites are fully occupied within a mixed distribution of sodium/manganese(II) and manganese(II)/indium, respectively. The three-dimensional anionic framework is built up on the basis of M(2)2O10 dimers that share opposite edges with M(1)O6 octahedra, thus forming infinite chains extending parallel to [10\overline{1}]. The linkage between these chains is ensured by PO4 tetrahedra through common vertices. The three-dimensional network thus constructed delimits two types of hexagonal channels, resulting from the catenation of M(2)2O10 dimers, M(1)O6 octahedra and PO4 tetrahedra through edge- and corner-sharing. The channels are occupied by Na+ cations with coordination numbers of seven and eight.

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