scholarly journals Structural features of the oxidonitridophosphates K3 M III(PO3)3N (M III = Al, Ga)

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Igor V. Zatovsky ◽  
Ivan V. Ogorodnyk ◽  
Vyacheslav N. Baumer ◽  
Ivan D. Zhilyak ◽  
Ruslana V. Horda ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Three Dimensional ◽  
Metal Cations ◽  
Structural Features ◽  
The Self ◽  
The Other ◽  
Site Symmetry ◽  
Flux Method ◽  
Cubic Crystals

Cubic crystals of tripotassium aluminium (or gallium) nitridotriphosphate, K3 M III(PO3)3N (M III = Al, Ga), were grown by application of the self-flux method. In their isostructural crystal structures, all metal cations and the N atom occupy special positions with site symmetry 3, while the P and O atoms are situated in general positions. The three-dimensional framework of these oxidonitridophosphates is built up from [M IIIO6] octahedra linked together via (PO3)3N groups. The latter are formed from three PO3N tetrahedra sharing a common N atom. The coordination environments of the three potassium cations are represented by two types of polyhedra, viz. KO9 for one and KO9N for the other two cations. An unusual tetradentate type of coordination for the latter potassium cations by the (PO3)3N6– anion is observed. These K3 M III(PO3)3N (M III = Al, Ga) compounds are isostructural with the Na3 M III(PO3)3N (M III = Al, V, Ti) compounds.

Two crown-ether-coordinated caesium halogen salts

2014 ◽  
Vol 70 (5) ◽  
pp. 455-459 ◽  
Author(s):  
Natalija van Well ◽  
Christian Klein ◽  
Franz Ritter ◽  
Wolf Assmus ◽  
Cornelius Krellner ◽  
...  
Keyword(s):  
Crown Ether ◽  
Water Molecule ◽  
Crystal Structures ◽  
Three Dimensional ◽  
The Other ◽  
Mirror Plane ◽  
Water Ligand ◽  
Water Molecules ◽  
Site Symmetry ◽  
Salt Hydrates

The crystal structures of two crown-ether-coordinated caesium halogen salt hydrates, namely di-μ-bromido-bis[aqua(1,4,7,10,13,16-hexaoxacyclooctadecane)caesium(I)] dihydrate, [Cs2Br2(C12H24O6)2(H2O)2]·2H2O, (I), and poly[[diaquadi-μ-chlorido-μ-(1,4,7,10,13,16-hexaoxacyclooctadecane)dicaesium(I)] dihydrate], {[Cs2Cl2(C12H24O6)(H2O)2]·2H2O} n , (II), are reported. In (I), all atoms are located on general positions. In (II), the Cs+ cation is located on a mirror plane perpendicular to the a axis, the chloride anion is located on a mirror plane perpendicular to the c axis and the crown-ether ring is located around a special position with site symmetry 2/m, with two opposite O atoms exactly on the mirror plane perpendicular to the a axis; of one water molecule, only the O atom is located on a mirror plane perpendicular on the a axis, while the other water molecule is completely located on a mirror plane perpendicular to the c axis. Whereas in (I), hydrogen bonds between bromide ligands and water molecules lead to one-dimensional chains running along the b axis, in (II) two-dimensional sheets of water molecules and chloride ligands are formed which combine with the polymeric caesium–crown polymer to give a three-dimensional network. Although both compounds have a similar composition, i.e. a Cs+ cation with a halogen, an 18-crown-6 ether and a water ligand, the crystal structures are rather different. On the other hand, it is remarkable that (I) is isomorphous with the already published iodide compound.

scholarly journals Crystal structures of two alkaline earth (M= Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates)

2017 ◽  
Vol 73 (5) ◽  
pp. 767-770
Author(s):  
Ghaleb Alhakmi ◽  
Abderrazzak Assani ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structures ◽  
Alkaline Earth ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Solid State Reactions ◽  
Site Symmetry ◽  
Orthorhombic System ◽  
Group Type ◽  
Alkaline Earth Cations

Two new orthophosphates, BaMn2Fe(PO4)3[barium dimanganese(II) iron(III) tris(orthophosphate)] and SrMn2Fe(PO4)3[strontium dimanganese(II) iron(III) tris(orthophosphate)], were synthesized by solid-state reactions. They are isotypic and crystallize in the orthorhombic system with space group typePbcn. Their crystal structures comprise infinite zigzag chains of edge-sharing FeO6octahedra (point group symmetry .2.) and Mn2O10double octahedra running parallel to [001], linked by two types of PO4tetrahedra. The so-formed three-dimensional framework delineates channels running along [001], in which the alkaline earth cations (site symmetry .2.) are located within a neighbourhood of eight O atoms.

scholarly journals Crystal structures and Hirshfeld surface analyses of bis[N,N-bis(2-methoxyethyl)dithiocarbamato-κ2S,S′]di-n-butyltin(IV) and [N-(2-methoxyethyl)-N-methyldithiocarbamato-κ2S,S′]triphenyltin(IV)

2018 ◽  
Vol 74 (3) ◽  
pp. 302-308 ◽  
Author(s):  
Rapidah Mohamad ◽  
Normah Awang ◽  
Nurul Farahana Kamaludin ◽  
Mukesh M. Jotani ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structures ◽  
Metal Atom ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Molecular Structures ◽  
Site Symmetry ◽  
Tetrahedral Geometry ◽  
Twofold Axis ◽  
Distorted Tetrahedral Geometry ◽  
Crystal And Molecular Structures

The crystal and molecular structures of the two title organotin dithiocarbamate compounds, [Sn(C4H9)2(C7H14NO2S2)2], (I), and [Sn(C6H5)3(C5H10NOS2)], (II), are described. Both structures feature asymmetrically bound dithiocarbamate ligands leading to a skew-trapezoidal bipyramidal geometry for the metal atom in (I) and a distorted tetrahedral geometry in (II). The complete molecule of (I) is generated by a crystallographic twofold axis (Sn site symmetry 2). In the crystal of (I), molecules self-assemble into a supramolecular array parallel to (10-1)viamethylene-C—H...O(methoxy) interactions. In the crystal of (II), supramolecular dimers are formedviapairs of weak phenyl-C—H...π(phenyl) contacts. In each of (I) and (II), the specified assemblies connect into a three-dimensional architecture without directional interactions between them. Hirshfeld surface analyses confirm the importance of H...H contacts in the molecular packing of each of (I) and (II), and in the case of (I), highlight the importance of short methoxy-H...H(butyl) contacts between layers.

scholarly journals Structure cristalline de type alluaudite K0.4Na3.6Co(MoO4)3

2015 ◽  
Vol 71 (1) ◽  
pp. 4-7 ◽  
Author(s):  
Rawia Nasri ◽  
Noura Fakhar Bourguiba ◽  
Mohamed Faouzi Zid
Keyword(s):  
Solid State ◽  
Three Dimensional ◽  
The Other ◽  
Solid State Reactions ◽  
Site Symmetry ◽  
Potassium Sodium ◽  
Triple Molybdate

A new triple molybdate, potassium sodium cobalt tris(molybdate), K0.4Na3.6Co(MoO4)3, was synthesized using solid-state reactions. The Co2+and one Na+cation are located at the same general site, each with occupancy 0.5. Another site (site symmetry 2) is occupied by Na+and K+cations, with occupancies of 0.597 (7) and 0.402 (6), respectively. The other two Na+cations and one of the two Mo atoms lie on special positions (site symmetries -1, 2 and 2, respectively). The structure is characterized byM2O10(M= Co/Na) dimers, which are linked by MoO4tetrahedra, forming infinite layers. The latter are connected firstly by insertion of one type of MoO4tetrahedra and secondly by sharing corners with the other type of MoO4tetrahedra. This results in an open three-dimensional framework with the cavities occupied by the Na+and K+cations. The structure is isotypic with Na3In2As3O12and Na3In2P3O12. A comparison is made with structures such as K2Co2(MoO4)3andβ-NaFe2(MoO4)3and their differences are discussed.

scholarly journals Crystal structure of alluaudite-type NaMg3(HPO4)2(PO4)

2015 ◽  
Vol 71 (7) ◽  
pp. 813-815 ◽  
Author(s):  
Ahmed Ould Saleck ◽  
Abderrazzak Assani ◽  
Mohamed Saadi ◽  
Cyrille Mercier ◽  
Claudine Follet ◽  
...  
Keyword(s):  
Point Group ◽  
Three Dimensional ◽  
The Other ◽  
Group Symmetry ◽  
Strong Hydrogen Bond ◽  
Site Symmetry ◽  
Point Group Symmetry ◽  
Hydrogen Phosphate ◽  
Hydrothermal Conditions ◽  
Different Types

The title compound, sodium trimagnesium bis(hydrogen phosphate) phosphate, was obtained under hydrothermal conditions. In the crystal, two types of [MgO6] octahedra, one with point group symmetry 2, share edges to build chains extending parallel to [10-1]. These chains are linked together by two kinds of phosphate tetrahedra, HPO4and PO4, the latter with point group symmetry 2. The three-dimensional framework delimits two different types of channels extending along [001]. One channel hosts the Na+cations (site symmetry 2) surrounded by eight O atoms, with Na—O bond lengths varying between 2.2974 (13) and 2.922 (2) Å. The OH group of the HPO4tetrahedron points into the other type of channel and exhibits a strong hydrogen bond to an O atom of the PO4tetrahedron on the opposite side.

scholarly journals A Survey of Supramolecular Aggregation Based on Main Group Element⋯Selenium Secondary Bonding Interactions—A Survey of the Crystallographic Literature

Crystals ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 503 ◽  
Author(s):  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structures ◽  
Three Dimensional ◽  
Main Group ◽  
Group Element ◽  
The Other ◽  
One Dimensional ◽  
Supramolecular Architectures ◽  
Main Group Element ◽  
Supramolecular Aggregation ◽  
Secondary Bonding

The results of a survey of the crystal structures of main group element compounds (M = tin, lead, arsenic, antimony, bismuth, and tellurium) for intermolecular M⋯Se secondary bonding interactions is presented. The identified M⋯Se interactions in 58 crystals can operate independent of conventional supramolecular synthons and can sustain zero-, one-, two, and, rarely, three-dimensional supramolecular architectures, which are shown to adopt a wide variety of topologies. The most popular architecture found in the crystals stabilized by M⋯Se interactions are one-dimensional chains, found in 50% of the structures, followed by zero-dimensional (38%). In the majority of structures, the metal center forms a single M⋯Se contact; however, examples having up to three M⋯Se contacts are evident. Up to about 25% of lead(II)-/selenium-containing crystals exhibit Pb⋯Se tetrel bonding, a percentage falling off to about 15% in bismuth analogs (that is, pnictogen bonding) and 10% or lower for the other cited elements.

scholarly journals Mixed-metal phosphates K1.64Na0.36TiFe(PO4)3 and K0.97Na1.03Ti1.26Fe0.74(PO4)3 with a langbeinite framework

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Igor V. Zatovsky ◽  
Nataliia Yu. Strutynska ◽  
Ivan V. Ogorodnyk ◽  
Vyacheslav N. Baumer ◽  
Nickolai S. Slobodyanik ◽  
...  
Keyword(s):  
High Temperature ◽  
Single Crystals ◽  
Three Dimensional ◽  
The Other ◽  
Site Symmetry ◽  
Mixed Metal ◽  
Metal Phosphates ◽  
Temperature Range ◽  
Molar Ratios ◽  
Sodium Cations

Single crystals of the langbeinite-type phosphates K1.65Na0.35TiFe(PO4)3 and K0.97Na1.03Ti1.26Fe0.74(PO4)3 were grown by crystallization from high-temperature self-fluxes in the system Na2O–K2O–P2O5–TiO2–Fe2O3 using fixed molar ratios of (Na+K):P = 1.0, Ti:P = 0.20 and Na:K = 1.0 or 2.0 over the temperature range 1273–953 K. The three-dimensional framework of the two isotypic phosphates are built up from [(Ti/Fe)2(PO4)3] structure units containing two mixed [(Ti/Fe)O6] octahedra (site symmetry 3) connected via three bridging PO4 tetrahedra. The potassium and sodium cations share two different sites in the structure that are located in the cavities of the framework. One of these sites has nine and the other twelve surrounding O atoms.

A new topological semimetal candidate: SmMnBi2

2021 ◽  
Vol 77 (4) ◽  
Author(s):  
Sudha Krishnan ◽  
Tiglet Besara
Keyword(s):  
Alkaline Earth ◽  
Layer Structure ◽  
Rare Earth Metals ◽  
Structural Features ◽  
The Self ◽  
Two Dimensional ◽  
Flux Method ◽  
Weyl Semimetal ◽  
Square Planar ◽  
Topological Semimetal

The new compound SmMnBi2 has been synthesized by the self-flux method and shown to crystallize in space group I4/mmm with a = 4.5054 (4) Å, c = 20.5914 (19) Å and Z = 4. Its structure comprises two-dimensional square Mn-nets layers, puckered rock-salt-like SmBi slabs and two-dimensional square Bi-nets layers, alternating along the c axis in an …Mn-net–SmBi slab–Bi-net–SmBi slab–Mn-net… sequence. Surprisingly, the atomic arrangement differs from its neighboring compound EuMnBi2 which has similar layers but with a different stacking arrangement. This gives rise to edge-shared square planar MnBi4 polyhedral layers in SmMnBi2 while EuMnBi2 has edge-shared MnBi4 tetrahedral layers. The MMnX 2 (M = alkaline earth/rare earth metals, X = Sb/Bi) family has emerged as topological Dirac or Weyl semimetal candidates, all of them sharing similar structural features. Although SmMnBi2 has a different stacking arrangement to EuMnBi2, its layer structure still makes it a topological Dirac or Weyl semimetal candidate.

Polymorphism and photoluminescence properties of K3ErSi2O7

2019 ◽  
Vol 75 (10) ◽  
pp. 1417-1423
Author(s):  
Predrag Dabić ◽  
Marko G. Nikolić ◽  
Sabina Kovač ◽  
Aleksandar Kremenović
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Green Emission ◽  
The Other ◽  
Octahedral Coordination ◽  
Hexagonal Prism ◽  
Photoluminescence Properties ◽  
Space Group ◽  
Trigonal Prismatic Coordination

Two polymorphs of tripotassium erbium disilicate, K3ErSi2O7, were synthesized by high-temperature flux crystal growth during the exploration of the flux technique for growing new alkali rare-earth elements (REE) containing silicates. Their crystal structures were determined by single-crystal X-ray diffraction analysis. One of them (denoted 1) crystallizes in the space group P63/mmc and is isostructural with disilicates K3LuSi2O7, K3ScSi2O7 and K3YSi2O7, while the other (denoted 2) crystallizes in the space group P63/mcm and is isostructural with disilicates K3NdSi2O7, K3REESi2O7 (REE = Gd–Yb), K3YSi2O7, K3(Y0.9Dy0.1)Si2O7 and K3SmSi2O7. In the crystal structure of polymorph 1, the Er cations are in an almost perfect octahedral coordination, while in the crystal structure of polymorph 2, part of the Er cations are in a slightly distorted octahedral coordination and the other part are in an ideal trigonal prismatic coordination environment. Sharing six corners, disilicate Si2O7 groups in the crystal structure of polymorph 1 link six ErO6 octahedra, forming a three-dimensional network and nine-coordinated potassium cations are located in its holes. In the crystal structure of polymorph 2, the disilicate Si2O7 groups connect four ErO6 octahedra, as well as one ErO6 trigonal prism. Three differently coordinated potassium cations are situated between them. Different site symmetries of the erbium cations in the crystal structures of polymorphs 1 and 2 affect their photoluminescence properties. Only polymorph 2 exhibits luminescence. Intense narrow lines in the emission spectrum are a result of the 4f–4f transition. The green emission line at 560 nm is the result of the Er3+ transition 4S3/2→4I15/2, and the luminescence line at 690 nm is the result of a 4F9/2→4I15/2 transition. The crystal morphologies of the two polymorphs are similar. Crystals of polymorph 1 are in the form of a hexagonal prism in combination with a hexagonal base, while crystals of polymorph 2 contain a dihexagonal prism in combination with a hexagonal base, although poorly developed faces of the dihexagonal pyramid can also be noticed.

scholarly journals Na7Mg13Nd(PO4)12

2012 ◽  
Vol 68 (6) ◽  
pp. i44-i44 ◽  
Author(s):  
Hasna Jerbi ◽  
Mourad Hidouri ◽  
Ben Amara Mongi
Keyword(s):  
Crystal Structure ◽  
Ternary System ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Site Symmetry ◽  
Flux Method ◽  
Structural Units ◽  
Quasi Ternary System

Investigations of the quasi-ternary system Na3PO4–Mg3(PO4)2–NdPO4 allowed us to obtain the new phosphate heptasodium tridecamagnesium neodymium dodecakisphosphate, Na7Mg13Nd(PO4)12, by applying a flux method. The crystal structure is isotypic with that of the previously reported Na7Mg13 Ln(PO4)12 (Ln = Eu, La) compounds. It consists of a complex three-dimensional framework built up from an NdO8 polyhedron (m symmetry), an MO6 octahedron statistically occupied by M = Mg and Na, and eight MgO x (x = 5, 6) polyhedra (four with site symmetry m), linked either directely by sharing corners, edges and faces, or by one of the eight unique PO4 tetrahedra through common corners. Two of the PO4 tetrahedra are statisticaly disordered over a mirror plane. The whole structure can be described as resutling from an assembly of two types of structural units, viz [Mg4 MP4O22]∞ 2 layers extending parallel to (100) and stacked along [100], and [Mg4NdP4O36]∞ 1 undulating chains running along the [010] direction. The six different Na+ cations (five with site symmetry m and one with 0.5 occupancy) are situated in six distinct cavities delimited by the framework. The structure was refined from data of a racemic twin.

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