scholarly journals Single-crystal structure determination of two new ternary bismuthides: Rh6Mn5Bi18 and RhMnBi3

2018 ◽  
Vol 74 (7) ◽  
pp. 863-869 ◽  
Author(s):  
Peter Kainzbauer ◽  
Klaus W. Richter ◽  
Herta Silvia Effenberger ◽  
Martin C. J. Marker ◽  
Herbert Ipser
Keyword(s):  
Transition Metal ◽  
Crystal Structures ◽  
Layer Structure ◽  
Three Dimensional ◽  
Van Der Waals Interactions ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Dimensional Network ◽  
Pearson Symbol

A study of the ternary Rh–Mn–Bi phase diagram revealed the existence of two new ternary bismuthides, viz. hexarhodium pentamanganese octadecabismuthide (Rh6Mn5Bi18) and rhodium manganese tribismuthide (RhMnBi3). Their crystal structures represent new structure types. Rh6Mn5Bi18, with a Wyckoff sequence a f2 g2 i5, crystallizes in the tetragonal system (space group P42/mnm; Pearson symbol tP58), and RhMnBi3, with a Wyckoff sequence a c g i q, crystallizes in the orthorhombic system (Cmmm; oS20). In the Rh6Mn5Bi18 structure, the transition metal atoms are linked into ribbon-like structural units aligned along the [001] direction, whereas planar sheets are formed in RhMnBi3. In both crystal structures, the units formed by the transition metal atoms are enveloped by Bi atoms, which themselves form a loosely bound network. The linkage results in a layer structure for RhMnBi3, while in the case of Rh6Mn5Bi18, a three-dimensional network is formed; the latter, however, contains several areas where Bi...Bi distances suggest van der Waals interactions. Both phases under discussion have analogous structural motifs.

Theoretical Study of Si-Rich Transition-Metal Silicides with Double-Graphene-Like Structures

2006 ◽  
Vol 958 ◽  
Author(s):  
Takehide Miyazaki ◽  
Toshihiko Kanayama
Keyword(s):  
Transition Metal ◽  
Theoretical Study ◽  
Layer Structure ◽  
Geometry Optimization ◽  
Energy Calculation ◽  
Total Energy Calculation ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Metal Silicides ◽  
Potential Impact

ABSTRACTWe propose a novel form of graphene-like Si nanostructure based on ab initio total-energy calculation and geometry optimization, (MSi12)n, with M being transition metal atom. It has a three-layer structure, where the two layers of Si atoms in graphene-like positions sandwich another layer of transition metal atoms. The electronic structure may become semiconducting or metallic, depending on the choice of M and arrangement of Si atoms. This hypothetical material can be regarded as a Si-rich phase of transition metal silicide. A potential impact of our finding in forthcoming ultra-scaled Si technology is also discussed.

Formation of Nickel(II) Coordination Polymers by a Double Betaine: [{Ni(L)(H2O) 2} n] Cl2n.2nH2O and [{Ni(L)2(H2O)2} n

1997 ◽  
Vol 50 (1) ◽  
pp. 85 ◽  
Author(s):  
Ping-Rong Wei ◽  
De-Dong Wu ◽  
Bo-Mu Wu ◽  
Thomas C. W. Mak
Keyword(s):  
Layer Structure ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Zigzag Chain ◽  
X Ray Crystallography ◽  
Metal Atoms ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Network Complex ◽  
Double Betaine

Two novel polymeric nickel(II) complexes of a double betaine with a rigidtris(ethylene) bridge between the pair of nitrogen atoms, namely [ {Ni(L)(H2O)4 }n]Cl2n.2nH2O(1)and [ {Ni(L)2(H2O)2} n](ClO4)2n.4nH2O(2) [L =¯O2CCH2N+(CH2CH2)3N+CH2CO2¯], have been prepared and characterized by X-ray crystallography. Thenickel(II) atom in either complex is coordinated by unidentate carboxylategroups and aqua ligands in a distorted octahedral geometry. The crystalstructure of (1) features an infinite zigzag chain composed of an alternatearrangement of metal atoms and double betaine ligands, and hydrogen bondingamong adjacent chains leads to a three-dimensional network. Complex (2)exhibits a wave-like layer structure corresponding to the (2 0 0) family ofplanes.

New Stannides CaTSn2 (T = Rh, Pd, Ir) and Ca2Pt3Sn5 - Synthesis, Structure and Chemical Bonding

1999 ◽  
Vol 54 (6) ◽  
pp. 709-717 ◽  
Author(s):  
Rolf-Dieter Hoffmann ◽  
Dirk Kußmann ◽  
Ute Ch. Rodewald ◽  
Rainer Pöttgen ◽  
Carsten Rosenhahn ◽  
...  
Keyword(s):  
Transition Metal ◽  
Chemical Bonding ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Superimposed Signals ◽  
Semi Empirical ◽  
Transition Metal Bonding ◽  
Structure Calculations

New stannides CaTSn2 (T = Rh, Pd, Ir) and Ca2PhSn5 were prepared as single phase materials by a reaction o f the elements in glassy carbon crucibles under flowing purified argon. The four compounds were investigated by X-ray diffraction both on powders and single crystals and their structures were refined from single crystal data. The stannides CaTSn2 (T = Rh, Pd, Ir) adopt the MgCuAl, structure with space group Cmcm: a = 434.1(1), b = 1081.7(3), c = 748.8(2) pm, wR2 = 0.040Ö, 451 F2 values for CaRhSn2, a = 442.7(2), b = 1113.8(4), c = 745.6(2) pm, wR2 = 0.0318, 471 F ; values for CaPdSn2, and a = 429.5(1), b = 1079.5(3), c = 758.6(2) pm, wR2 = 0.0465, 455 F2 values for CaIrSn2 with 16 variables for each refinement. Chemical bonding analysis leads to the description o f a distorted filled CaSni substructure in which the tin-tin bonding is modified by the insertion o f transition metal atoms into the planar calcium layers, favoring strong tin-transition metal bonding. 119Sn Mössbauer spectra show single signals for CaTSn2 (T = Rh, Pd, Ir) which are subjected to quadrupole splitting. The electron count o f the CaTSn2 compounds correlates with the ll9Sn isomer shift. Ca2Pt3Sn3 crystallizes with the Yb2Pt3Sn5 type structure: Pnma, a = 734.8(1), b = 445.50(7), c = 2634.8(5) pm, wR2 = 0.0636, 1406 F2 values and 62 variables. The platinum and tin atoms in Ca2Pt3 Sns build a complex three-dimensional [Pt3Sn5] polyanion in which the calcium cations fill distorted pentagonal and hexagonal channels. According to semi-empirical band structure calculations the strongest bonding interactions are found for the Pt-Sn contacts, follow ed by Sn-Sn bonding. The 119Sn Mössbauer spectrum of Ca2Pt3Sn5 shows two superimposed signals at δ = 2.10(3) and δ= 2.18(6) mm/s

Synthesis, molecular, and crystal structures of 3d transition metal cyanocyclopentadienides [M(MeOH)n(H2O)4–n{C5(CN)4X}2] (M=Mn, Fe, Co, Ni, Cu, Zn; X=H, CN, NH2, NO2)

2019 ◽  
Vol 74 (1) ◽  
pp. 109-118 ◽  
Author(s):  
Karlheinz Sünkel ◽  
Dietmar Reimann ◽  
Patrick Nimax
Keyword(s):  
Hydrogen Bonding ◽  
Transition Metal ◽  
Crystal Structures ◽  
Coordination Sphere ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Silver Salts ◽  
Dimensional Network ◽  
Molecular And Crystal Structures

AbstractThe reaction of the 3d transition metal dichlorides MCl2 (M=Mn, Fe, Co, Ni, Cu, Zn) with the silver salts of substituted tetracyanocyclopentadienides Ag+ [C5(CN)4X]− (X=CN, H, NH2 NO2) gives the complexes [M(MeOH/H2O)4{C5(CN)4)X}2]. Nine of these complexes were characterized by X-ray diffraction and it shows that they all are mononuclear with an octahedral M(N)2(O)4 coordination sphere. In the structures, extensive hydrogen bonding leads to dense three-dimensional network structures.

V18P9C2: a complex phosphide carbide

2016 ◽  
Vol 71 (5) ◽  
pp. 521-526 ◽  
Author(s):  
Herbert Boller ◽  
Herta Effenberger
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Structural Features ◽  
Intermetallic Phases ◽  
Low Carbon ◽  
Orthorhombic Space Group ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Dimensional Network ◽  
Trigonal Prismatic

AbstractV18P9C2 crystallizes in the orthorhombic space group Pmma with the lattice parameters a = 17.044(3), b = 3.2219(7), and c = 13.030(2) Å, Z = 2. The crystal structure is composed of 19 symmetry-independent atoms. The crystal structure is considered as a network formed by the transition metal atoms exhibiting cubic, trigonal prismatic, and octahedral voids centered by V, P, and C atoms, respectively. Vice versa, the V and P atoms form a three-dimensional network. The two CV6 octahedra are edge- and corner-connected to chains running parallel to [010]. The five unique P atoms are trigonal prismatically coordinated by V atoms with one to three faces capped again by a V atom. The V atoms have mainly cubic environments formed solely by V or by V and P atoms. V18P9C2 exhibits some structural relations to other compounds of the ternary system V–P–C as well as to other intermetallic phases. Despite the low carbon content, V18P9C2 is considered as a ternary compound rather than an interstitially stabilized (binary) phosphide in view of its special structural features.

Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole

2017 ◽  
Vol 73 (5) ◽  
pp. 382-392 ◽  
Author(s):  
Feng-Yi Liu ◽  
Dong-Mei Zhou ◽  
Xiao-Lan Zhao ◽  
Jun-Feng Kou
Keyword(s):  
Transition Metal ◽  
Crystal Structures ◽  
Metal Binding ◽  
Three Dimensional ◽  
Supramolecular Structures ◽  
X Ray Diffraction ◽  
Hydrothermal Conditions ◽  
Metal Atoms ◽  
Wide Range ◽  
Transition Metal Salts

Due to their versatile coordination modes and metal-binding conformations, triazolyl ligands can provide a wide range of possibilities for the construction of supramolecular structures. Seven mononuclear transition metal complexes with different structural forms, namely aquabis[3-(4-methylphenyl)-5-(pyridin-2-yl)-1H-1,2,4-triazolato-κ2 N 1,N 5]zinc(II), [Zn(C14H11N4)2(H2O)], (I), bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2 N 3,N 4]bis(nitrato-κO)zinc(II), [Zn(NO3)2(C14H12N4)2], (II), bis(methanol-κO)bis[3-(4-methylphenyl)-5-(pyridin-2-yl)-1H-1,2,4-triazolato-κ2 N 1,N 5]zinc(II), [Zn(C14H11N4)2(CH4O)2], (III), diiodidobis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2 N 3,N 4]cadmium(II), [CdI2(C14H12N4)2], (IV), bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2 N 3,N 4]bis(nitrato-κO)cadmium(II), [Cd(NO3)2(C14H12N4)2], (V), aquabis[3-(4-methylphenyl)-5-(pyridin-2-yl)-1H-1,2,4-triazolato-κ2 N 1,N 5]cobalt(II), [Co(C14H11N4)2(H2O)], (VI), and diaquabis[3-(4-methylphenyl)-5-(pyridin-2-yl)-1H-1,2,4-triazolato-κ2 N 1,N 5]nickel(II), [Ni(C14H11N4)2(H2O)2], (VII), have been prepared by the reaction of transition metal salts (ZnII, CdII, CoII and NiII) with 3-(4-methylphenyl)-5-(pyridin-2-yl)-1H-1,2,4-triazole (pymphtzH) under either ambient or hydrothermal conditions. These compounds have been characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. All the complexes form three-dimensional supramolecular structures through hydrogen bonds or through π–π stacking interactions between the centroids of the pyridyl or arene rings. The pymphtzH and pymphtz− entities act as bidentate coordinating ligands in each structure. Moreover, all the pyridyl N atoms are coordinated to metal atoms (Zn, Cd, Co or Ni). The N atom in the 4-position of the triazole group is coordinated to the Zn and Cd atoms in the crystal structures of (II), (IV) and (V), while the N atom in the 1-position of the triazolate group is coordinated to the Zn, Co and Ni atoms in (I), (III), (VI) and (VII).

Ternäre Nitride des Lithiums mit den Elementen Cr, Mo und W / Ternary Lithium Nitrides with Elements Cr, Mo and W

1990 ◽  
Vol 45 (2) ◽  
pp. 111-120 ◽  
Author(s):  
Axel Gudat ◽  
Sabine Haag ◽  
Rüdiger Kniep ◽  
Albrecht Rabenau
Keyword(s):  
Crystal Structure ◽  
Transition Metal ◽  
Transition Metals ◽  
Ternary System ◽  
Crystal Structures ◽  
Ternary Compounds ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Fluorite Type ◽  
Nitride Oxide

The ternary compounds were prepared by reaction of the transition metals with Li3N melt under nitrogen. The crystal structures of Li6MeN4 (P42/nmc, Z = 2; Me = Mo: a = 667.3(1) pm, c = 492.5(3) pm; Me = W: a = 667.9(1) pm, c = 492.7(1) pm) and Li15Cr2N9 (P4/ncc, Z = 4; a = 1023.3(5) pm, c = 938.9(7) pm) can be described as fluorite-type superstructures with the lithium and transition metal atoms in tetrahedral holes of the nearly fcc nitrogen arrangement and with an ordered distribution of defects within the cation substructure. In addition, the ternary system Li–Cr–N contains the compound Li6CrN4 with a crystal structure which is not quite clear at present, but which shows close relations to the structures of Li6MeN4 (Me = Mo, W). The previously reported compounds Li9MeN5 (Me = Cr, Mo, W) have not been observed during this study. The respective Cr compound in fact is a nitride-oxide (nitride-imide) of composition Li14Cr2N8(O,NH) with a crystal structure (P3̄, Z = 1, a = 579.9(1) pm, c = 826.3(6) pm) also showing a fluorite-type superstructure.

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