scholarly journals Synthesis and crystal structure of two new phosphates with Alluaudite type structure: (M, Mn)3Fe(PO4)3 (M= Ca, Cd)

2018 ◽  
Vol 149 ◽  
pp. 01084 ◽  
Author(s):  
Ghaleb Alhakmi ◽  
Abderrazzak Assani ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Type Structure ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Open Framework ◽  
Bivalent Cations ◽  
The Common

Two new phosphates with alluaudite type structure (M, Mn)3Fe(PO4)3 (M= Ca, Cd), namely Ca1.54Mn1.46Fe(PO4)3 and Cd0.66Mn2.34Fe(PO4)3, has been synthesized by a solid state reaction and characterized by single-crystal X-ray diffraction. The two compounds crystallize in the monoclinic system with C2/c space group. Their open framework results from (Fe1/Mn1)2O10 units of edge-sharing (Fe/Mn)O6 octahedra, which alternate with M(1)O6 octahedra (M(1)=Ca1/Mn2 or Cd1/Mn2) that form infinite chains running along [10-1] direction. These chains are linked together through the common corners of PO4 tetrahedra giving rise to two types of tunnels occupied by bivalent cations Ca2+ or Cd2+ and Mn2+.

Hydrothermal Synthesis and Crystal Structure of a Meso-Helical Chain Based on Lindqvist Polyoxometalates

2013 ◽  
Vol 68 (4) ◽  
pp. 345-350 ◽  
Author(s):  
Chun-Jing Zhang ◽  
Rui Fang ◽  
Yan Yu ◽  
Hai-Jun Pang ◽  
Hui-Yuan Ma ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Infrared Spectroscopy ◽  
Hydrothermal Synthesis ◽  
Chain Structure ◽  
Helical Chain ◽  
X Ray Diffraction ◽  
Hybrid Compound ◽  
Monoclinic System ◽  
Synthesis And Crystal Structure ◽  
X Ray

A new Lindqvist polyoxometalate-based hybrid compound with a helical chain structure, [Cu(bipy)2][W6O19] (1), (bipy = 2;20`-bipyridine), has been hydrothermally synthesized and characterized by elemental analysis, infrared spectroscopy, thermogravimetry, and single-crystal X-ray diffraction. The compound crystallizes in the space group C2/c of the monoclinic system. In 1, the [W6O19]2- anions are connected alternately with [Cu(bipy)2]2+ subunits to form a meso-helical chain. To our knowledge, this structure represents the first example of a helical chain structure consisting of the hexatungstate anion [W6O19]2-. The electrochemical properties of the title compound have been studied.

Synthesis and Crystal Structure of K6Mo10O33

2007 ◽  
Vol 62 (1) ◽  
pp. 1-4 ◽  
Author(s):  
Nachiappan Arumugam ◽  
Eva-Maria Peters ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystal ◽  
Molybdenum Oxide ◽  
Solid State Reaction ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants

A new potassium molybdenum oxide, K6Mo10O33, was synthesized by solid state reaction from the appropriate quantities of pre-dried MoO3 and K2MoO4, fired at around 650 °C for 2 d. The structure has been solved by using single crystal X-ray diffraction. The compound adopts the space group P1, with the lattice constants a = 7.7100(5), b = 11.9659(8), c = 17.1321(12) A° , α = 86.42 (10), β = 77.18(10), γ = 74.14(10)°. The structure is built up of infinite chains of edge-sharing MoO6 octahedra and groups of four MoO6 octahedra forming Mo4O17 units. These sub-units are connected together by common vertices.

Synthesis and crystal structure of a novel hexaborate, Na2ZnB6O11

2010 ◽  
Vol 25 (1) ◽  
pp. 9-14 ◽  
Author(s):  
Y. Q. Chen ◽  
J. K. Liang ◽  
Y. X. Gu ◽  
J. Luo ◽  
J. B. Li ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Structure Type ◽  
Crystal Structure Analysis ◽  
Monoclinic Space Group ◽  
Chemical Formula ◽  
X Ray Diffraction ◽  
Calculated Density ◽  
Synthesis And Crystal Structure ◽  
X Ray

A novel hexaborate, Na2ZnB6O11, has been successfully synthesized by solid-state reaction and ab initio crystal-structure analysis has been completed using powder X-ray diffraction data. The compound crystallizes in the monoclinic space group Cc with lattice parameters a=10.7329(2) Å b=7.4080(3) Å, c=11.4822(2) Å, and β=112.16(2)°. The number of chemical formula per unit cell is Z=4 and the calculated density is 2.768(3) g/cm3. It represents a new structure type in which double-bridge-ring [B6O11]4− groups were found as fundamental building units. The infrared spectrum confirms the presence of both [BO3]3− groups and [BO4]5− groups.

Synthesis and Crystal Structure of a Novel Ho(III) Coordination Polymer with Oxalic Acid

2013 ◽  
Vol 873 ◽  
pp. 697-700 ◽  
Author(s):  
Tian Tian Li ◽  
Jun Xia
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Oxalic Acid ◽  
Metal Ion ◽  
Metal Organic Frameworks ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Metal Organic

A novel metal-organic frameworks (MOFs), {[Ho (ox)1.5(H2O)3] ·CH3OH·(C2N2H6)0.5}n, has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction, IR analyses, elemental analysis. The complex crystallizes in the monoclinic system with theP21/c space group. The metal ion is nine-coordinate and connected by oxalate to form 2D honeycomb-like structure.

Synthesis and crystal structure of a new microporous silicate with a mixed octahedral-tetrahedral framework: Cs3ScSi8O19

2004 ◽  
Vol 68 (4) ◽  
pp. 677-686 ◽  
Author(s):  
U. Kolitsch ◽  
E. Tillmanns
Keyword(s):  
Crystal Structure ◽  
Structure Type ◽  
Framework Structure ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Tetrahedral Framework ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Open Framework ◽  
Area Detector

AbstractDuring investigations of the system Sc2O3-Al2O3-TiO2-SiO2, a new, unusual microporous compound, Cs3ScSi8O19, was synthesized as colourless plates from a CsF-MoO3 flux. The crystal structure was determined from single-crystal X-ray diffraction data (Mo-Kα radiation, CCD area detector). The compound is orthorhombic, space group Pnma, with a = 11.286(2), b = 7.033(1), c = 26.714(5) Å, and Z = 4 (R1(F) = 2.6% and wR2all(F2) = 7.3%, using 3066 ‘observed’ reflections with Fo > 4σ(Fo)). The crystal structure of Cs3ScSi8O19 represents a new microporous framework structure type (‘MCV-1’), and the compound is exceptional in being the first representative of a mixed octahedral-tetrahedral framework structure, in which the [TO4]:[MO6] ratio is >6:1. The structure is based on isolated, nearly regular ScO6 octahedra [dav(Sc—O) = 2.112 Å] sharing corners with SiO4 tetrahedra to form an open framework with four-, six- and eight-membered rings; the latter are formed by SiO4 tetrahedra only. Two fully occupied Cs positions are located in large framework voids close to the six-membered rings, whereas four partly occupied and disordered Cs positions are close to very large framework voids bordered by the puckered eight-membered rings. The cavities are linked into channels parallel to [100] and [010]. The structure is compared with that of Cs2TiSi6O15 and related microporous scandium-, REE-, titano- and zirconosilicate minerals and compounds. Cs3ScSi8O19 or derivatives may be important in the context of immobilization of radioactive 137Cs waste, cationic conductivity or catalysis.

Synthesis and Crystal Structure of 13-cis-Retinoate Aryl Derivatives

2011 ◽  
Vol 236-238 ◽  
pp. 3037-3040
Author(s):  
Wei Guo Yi ◽  
Dong Yan ◽  
Long Yong Xie ◽  
Jian Nan Xiang ◽  
Zhong Cao
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Retinoic Acid ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
C Nmr

A series of 13-cis-retinoate aryl derivatives were synthesized from 13-cis-retinoic acid and phenols or arylalcohol with dicyclohexylcarbodiimide (DCC) as reagent and 4-dimethylaminopyridine (DMAP) as catalyst. Their structures were characterized by1H,13C NMR, IR and MS. The crystal of 3a has been determined by single crystal X-ray diffraction analysis and its molecular structure has been confirmed. Compound 3a belongs to monoclinic system with space group P2 (1)/c, a = 22.235 (3) Å, b = 7.4117 (10) Å, c = 15.990 (2) Å, β = 109.253 (3) °, V = 2487.7 (6) Å3, Z = 4, R = 0.0613, ωR = 0.01437.

scholarly journals High-pressure synthesis and crystal structure of the mixed-cation borate Ga4In4B15O33(OH)3

2019 ◽  
Vol 74 (4) ◽  
pp. 357-363
Author(s):  
Daniela Vitzthum ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Mixed Cation ◽  
High Pressure High Temperature ◽  
Pressure Synthesis

AbstractThe mixed cation triel borate Ga4In4B15O33(OH)3 was synthesized in a Walker-type multianvil apparatus at high-pressure/high-temperature conditions of 12.5 GPa and 1300°C. Although the product could not be reproduced in further experiments, its crystal structure could be reliably determined via single-crystal X-ray diffraction data. Ga4In4B15O33(OH)3 crystallizes in the tetragonal space group I41/a (origin choice 2) with the lattice parameters a = 11.382(2), c = 15.244(2) Å, and V = 1974.9(4) Å3. The structure of the quaternary triel borate consists of a complex network of BO4 tetrahedra, edge-sharing InO6 octahedra in dinuclear units, and very dense edge-sharing GaO6 octahedra in tetranuclear units.

scholarly journals An investigation of polyhedral deformation in two mixed-metal diarsenates: SrZnAs2O7and BaCuAs2O7

2015 ◽  
Vol 71 (4) ◽  
pp. 330-337 ◽  
Author(s):  
Sabina Kovač ◽  
Ljiljana Karanović ◽  
Tamara Đorđević
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
General Formula ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Hydrothermal Conditions ◽  
X Ray ◽  
Open Framework ◽  
Geometrical Characteristics ◽  
Barium Copper

Two isostructural diarsenates, SrZnAs2O7(strontium zinc diarsenate), (I), and BaCuAs2O7[barium copper(II) diarsenate], (II), have been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction. The three-dimensional open-framework crystal structure consists of corner-sharingM2O5(M2 = Zn or Cu) square pyramids and diarsenate (As2O7) groups. Each As2O7group shares its five corners with five differentM2O5square pyramids. The resulting framework delimits two types of tunnels aligned parallel to the [010] and [100] directions where the large divalent nine-coordinatedM1 (M1 = Sr or Ba) cations are located. The geometrical characteristics of theM1O9,M2O5and As2O7groups of known isostructural diarsenates, adopting the general formulaM1IIM2IIAs2O7(M1II= Sr, Ba, Pb;M2II= Mg, Co, Cu, Zn) and crystallizing in the space groupP21/n, are presented and discussed.

A MOF based on a lead(II) 2-oxido-6-methylpyridine-4-carboxylate network

2020 ◽  
Vol 75 (4) ◽  
pp. 365-369
Author(s):  
Long Tang ◽  
Yu Pei Fu ◽  
Na Cui ◽  
Ji Jiang Wang ◽  
Xiang Yang Hou ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Carboxylic Acid ◽  
Thermogravimetric Analysis ◽  
Metal Organic Framework ◽  
X Ray Diffraction ◽  
X Ray ◽  
Connected Node ◽  
Metal Organic ◽  
Solid State Fluorescence

AbstractA new metal-organic framework, [Pb(hmpcaH)2]n (1), has been hydrothermally synthesized from Pb(OAc)2 · 3H2O and 2-hydroxy-6-methylpyridine-4-carboxylic acid (hmpcaH2; 2), and characterized by IR spectroscopy, elemental and thermogravimetric analysis, and single-crystal X-ray diffraction. In complex 1, each hmpcaH− ligand represents a three-connected node to combine with the hexacoordinated Pb(II) ions, generating a 3D binodal (3,6)-connected ant network. The crystal structure of 2 was determined. The solid-state fluorescence properties of 1 and 2 were investigated.

scholarly journals Investigation of Solvatomorphism and Its Photophysical Implications for Archetypal Trinuclear Au3(1-Methylimidazolate)3

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4404
Author(s):  
Shengyang Guan ◽  
David C. Mayer ◽  
Christian Jandl ◽  
Sebastian J. Weishäupl ◽  
Angela Casini ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Density Functional ◽  
Bulk Material ◽  
Variable Temperature ◽  
Active Phase ◽  
Solvent Free ◽  
X Ray Diffraction ◽  
X Ray ◽  
Aurophilic Interactions

A new solvatomorph of [Au3(1-Methylimidazolate)3] (Au3(MeIm)3)—the simplest congener of imidazolate-based Au(I) cyclic trinuclear complexes (CTCs)—has been identified and structurally characterized. Single-crystal X-ray diffraction revealed a dichloromethane solvate exhibiting remarkably short intermolecular Au⋯Au distances (3.2190(7) Å). This goes along with a dimer formation in the solid state, which is not observed in a previously reported solvent-free crystal structure. Hirshfeld analysis, in combination with density functional theory (DFT) calculations, indicates that the dimerization is generally driven by attractive aurophilic interactions, which are commonly associated with the luminescence properties of CTCs. Since Au3(MeIm)3 has previously been reported to be emissive in the solid-state, we conducted a thorough photophysical study combined with phase analysis by means of powder X-ray diffraction (PXRD), to correctly attribute the photophysically active phase of the bulk material. Interestingly, all investigated powder samples accessed via different preparation methods can be assigned to the pristine solvent-free crystal structure, showing no aurophilic interactions. Finally, the observed strong thermochromism of the solid-state material was investigated by means of variable-temperature PXRD, ruling out a significant phase transition being responsible for the drastic change of the emission properties (hypsochromic shift from 710 nm to 510 nm) when lowering the temperature down to 77 K.

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