Low Dimensional Materials: Syntheses, Structures, and Optical Properties of Rb2CuTaS4, Rb2CuTaSe4, RbCu2TaSe4, K3Ag3Ta2Se8, and Rb3AgTa2Se12

2004 ◽  
Vol 59 (9) ◽  
pp. 1006-1014 ◽  
Author(s):  
Yuandong Wu ◽  
Christian Näther ◽  
Wolfgang Bensch
Keyword(s):  
Structure Type ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Low Dimensional ◽  
New Compounds ◽  
Ir Spectroscopic ◽  
Low Dimensional Materials

The new compounds Rb2CuTaS4 (1), Rb2CuTaSe4 (2), RbCu2TaSe4 (3), K3Ag3Ta2Se8 (4), and Rb3AgTa2Se12 (5) have been synthesized by the reactive flux method at 773 or 873 K. Their crystal structures were determined by single crystal X-ray diffraction. Crystal data for 1: space group Fddd, a = 5.598(1), b = 13.512(4), c = 23.854(5) Å , Z = 8; Crystal data for 2: space group Fddd, a = 5.782(1), b = 13.924(3), c = 24.653(5) Å , Z = 8; Crystal data for 3: space group C2cm, a = 5.7218(3), b = 19.2463(13), c = 7.7456(5) Å , Z = 4; Crystal data for 4: space group C2/c, a = 25.1374(19), b = 6.1007(3), c = 14.4030(11) Å , β = 119.703(8)◦, Z = 4; Crystal data for 5: space group P21/n, a = 9.8186(6), b = 13.7462(11), c = 15.7368(9) Å , β = 96.681(7)◦, Z = 4. The compounds 1 and 2 are built up of 1∞[CuTaQ4]2− anionic chains which are formed by edge-sharing CuQ4 and TaQ4 tetrahedra. The rubidium cations are located between the chains. Compound 3 consists of 2∞[Cu2TaSe4]− anionic layers separated by rubidium cations. The anionic layers are formed by1∞[CuTaSe4]2− chains which are connected by CuSe4 tetrahedra that share common edges with the TaSe4 tetrahedra of neighboring chains. In compound 4 1∞[Ag3Ta2Se8]3− anionic chains are found which are separated by potassium cations. These chains are formed by successive corner sharing of AgSe4 tetrahedra and edge sharing between AgSe4 and TaSe4 tetrahedra. All three structures are closely related with the sulvanite (Cu3VS4) structure type. Compound 5 contains a one dimensional 1∞[AgTa2Se12]3− anionic chain formed by interconnection of AgSe4 tetrahedra and [Ta2Se11] units. In the structure three monoselenide, three diselenide, and one triselenide anions are found. Raman and far-IR spectroscopic data of compounds 1 and 4 were collected and an interpretation is presented.

AlkalineEarthMetal-Hydride-Iodide Compounds: Syntheses andCrystal Structures of Sr2H3I and Ba5H2I3.9(2)O2

2011 ◽  
Vol 66 (1) ◽  
pp. 21-26
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Structural Model ◽  
Structure Type ◽  
Lattice Parameters ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Compounds

Single crystals of Sr2H3I andBa5H2I3.9(2)O2 were obtained by reacting Sr or Ba, respectively, with dried and sublimed NH4I in a 4 : 1 molar ratio in silica-jacketed Nb ampoules for 13 h at 1200 K. The crystal structures of the new compounds have been determined by means of single-crystal X-ray diffraction. Sr2H3I crystallizes in a stuffed anti-CdI2 structure isotypic to Ba2H3Cl in the space group P3m1 (no. 164) with the lattice parameters a = 426.0(1) and c = 774.9(2) pm, while Ba5H2I3.9(2)O2 crystallizes in a new structure type in the space group Cmcm (no. 63) with the lattice parameters a = 1721.0(2), b = 1452.5(2) and c = 639.03(9) pm. The structural results for Sr2H3I are corroborated by EUTAX calculations. For the disordered compound Ba5H2I3.9(2)O2, EUTAX calculations on an approximated, ordered structural model were used to find possible insights into the disorder

Neue reduzierte Halogenide der Lanthanoide mit kondensierten Clustern: Tb6Br7 und Er6I7 / New Reduced Halides of Rare Earth Metals with Condensed Clusters: Tb6Br7 and Er6I7

1980 ◽  
Vol 35 (5) ◽  
pp. 626-630 ◽  
Author(s):  
Karl Berroth ◽  
Hansjürgen Mattausch ◽  
Arndt Simon
Keyword(s):  
Rare Earth ◽  
Rare Earth Metals ◽  
Structure Type ◽  
Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Halogen Atoms ◽  
New Compounds ◽  
Structure Investigations

Abstract The new compounds Tb6Br7 and Er6I7 are formed from the trihalides with an excess of metal in sealed tantalum containers. X-ray structure investigations [space group C2/m; Tb6Br7 (Er6I7): a = 2057.1 (2137.5), b = 379.3 (386.9), c = 1180.0 (1231.9) pm, β = 124.59° (123.50°)] show one-dimensional regions connected by Ln-Ln bonds. The structure type can be described in terms of Ln6X12-clusters which are linked via edges of Ln6-octahedra to form double strings. The structure is derived from an FCC arrangement of halogen atoms part of which is systematically substituted by Ln6-octahedra.

Strukturuntersuchungen an Diaryldichalkogeniden: Die Molekülstrukturen von [2,4,6-(CF3)3C6H2S]2,[2,4,6-Me3C6H2Te]2 und [2-Me2N-4,6-(CF3)2C6H2Te]2 / Structural Investigations of Diaryl Dichalcogenides: The Molecular Structures of [2,4,6-(CF3)3C6H2S]2, [2,4,6-Me3C6H2Te]2 and [2-Me2N-4,6-(CF3)2C6H2Te]2

1992 ◽  
Vol 47 (3) ◽  
pp. 305-309 ◽  
Author(s):  
Anja Edelmann ◽  
Sally Brooker ◽  
Norbert Bertel ◽  
Mathias Noltemeyer ◽  
Herbert W. Roesky ◽  
...  
Keyword(s):  
Molecular Structures ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Structural Investigations ◽  
Space Group ◽  
X Ray

Abstract The Molecular Structures of [2,4,6-(CF3)3C6H2S]2 (1) [2,4,6-Me3C6H2Te]2 and [2-Me2N-4,6-(CF3)2C6H2Te]2 (3) have been determined by X-ray diffraction. Crystal data: 1: orthorhombic, space group P212121, Z = 4, a = 822.3(2), b = 1029.2(2), c = 2526.6(5) pm (2343 observed independent reflexions, R = 0.042); 2: orthorhombic, space group Iba 2, Z = 8, a = 1546.5(2), b = 1578.4(2), c = 1483.9(1) pm (2051 observed independent reflexions, R = 0.030); 3: monoclinic, space group P 21/c, Z = 4, a = 1118.7(1), b = 1536.5(2), c = 1492.6(2) pm, β = 98.97(1)° (3033 observed independent reflexions, R = 0.025).

K5[FeO4] und K17[Fe5O16]: Zwei neue Kalium-Oxoferrate(III) / K5[FeO4] and K17[Fe5O16]: Two New Potassium Oxoferrates(III)

2005 ◽  
Vol 60 (12) ◽  
pp. 1224-1230 ◽  
Author(s):  
Gero Frisch ◽  
Caroline Röhr
Keyword(s):  
Linear Chain ◽  
Reaction Times ◽  
Structure Type ◽  
Maximum Temperature ◽  
X Ray Diffraction ◽  
Tetrahedral Geometry ◽  
Space Group ◽  
X Ray ◽  
Subsequent Quenching ◽  
Rich Mixtures

The title compounds were synthesized from potassium rich mixtures of Fe2O3, elemental potassium and the hyperoxide KO2 by applying short reaction times, a maximum temperature of 875 K and subsequent quenching of the samples. The structures of the two new oxoferrates(III) have been determined by single crystal X-ray diffraction. The orthoferrate(III) K5[FeO4] (Na5[GaO4] structure type, space group Pbca, a = 1124,0(2), b = 667,95(9), c = 2034,8(3) pm, Z = 4, R1 = 0,0585) exhibits isolated ortho-anions [FeO4]5− with nearly ideal tetrahedral geometry and Fe-O distance in the narrow range of 189 to 192 pm. The pentaferrate K17[Fe5O16] (space group Cm, a = 671,71(5), b=3560,8(3), c=670,81(5) pm, β =119,687(5)°, Z =2, R1=0,0291) crystallizes with a new structure type. Its building units are isolated novel penta-nuclear anions composed of five corner sharing [FeO4] tetrahedra. These linear chain pieces [Fe5O16] are arranged in a hexagonal rod packing, with a stacking sequence according to |:AB:| along the large monoclinic b axis. The structure is thus related to that of the tetra-ferrate K14[Fe4O13] with a comparable packing of tetra-nuclear ferrate(III) anions.

IR-spektroskopische und kristallstrukturelle Untersuchungen an 2.4-Pentandionato-Lithium-(Li-acac)-Einkristallen / IR-Spectroscopic and X-Ray Structural Investigation of 2,4-Pentandionato-Lithium (Li-acac) Single Crystals

1971 ◽  
Vol 26 (6) ◽  
pp. 528-530 ◽  
Author(s):  
E. Funck ◽  
A. Jungermann ◽  
J. Kaiser ◽  
F. A. Schröder
Keyword(s):  
Ir Spectra ◽  
Single Crystals ◽  
Molecular Species ◽  
Structural Investigation ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Ir Reflection ◽  
Ir Spectroscopic

Single crystals of Li-acetylacetonate (Li-acac) were characterised by microscopical, IR-reflection and X-ray diffraction measurements.The space group was found to be C cca (orthorhombic). From the IR-spectra (polarised radiation) and the properties of the space group the probable arrangements of the molecular species in the crystal are deduced.

Ba5Al2Ge7 und Ba7Al4Ge9: Zwei neue intermetallische Phasen mit ungewöhnlichen Al-Ge-Anionen / Ba5Al2Ge7 and Ba7Al4Ge9: Two New Intermetallic Phases with Unusual Al-Ge Anions

2007 ◽  
Vol 62 (8) ◽  
pp. 1059-1070 ◽  
Author(s):  
Marco Wendorff ◽  
Caroline Röhr
Keyword(s):  
Ternary System ◽  
Single Crystal ◽  
Structure Type ◽  
Intermetallic Phases ◽  
Crystal Data ◽  
Form Complex ◽  
Space Group ◽  
X Ray ◽  
Al Content ◽  
Binary Section

In the ternary system Ba-Al-Ge new intermetallic compounds which are lying on or close to the binary section BaAl2 -BaGe2 were synthesized from the elements and characterized on the basis of X-ray single crystal data. The Al-content x in the compounds BaAlxGe2−x forming the AlB2 structure type ranges from x = 1.4 [BaAl1.4Ge0.6 space group P6/mmm, a = 443.5(1), c = 512.4(1) pm, Z = 1, R1 = 0.0222] to the stoichiometric ordered compound BaAlGe [space group P6̅m2, a = 434.9(1), c = 513.6 pm, Z = 1, R1 = 0.0252]. In the two new Ge-rich barium intermetallics Ba5Al2Ge7 [space group C2/m, a = 859.8(4), b = 1031.5(4), c = 1847.8(6) pm, β = 103.23(3)°, Z = 4, R1 = 0.0553] and Ba7Al4Ge9 [space group Fmm2, a = 1032.7(5), b = 2559(2), c = 862.1(4) pm, Z = 4, R1 = 0.1197] complex Al/Ge polyanions are present, which consist of (1) Al/Ge-ribbons of condensed planar sixmembered rings comparable to the anions in Ba3Al2Ge2, and (2) [Ge/Al]5 clusters comparable to the anions in the tetrelides Ba3M5. The building units (1) and (2) are connected via Al-Ge bonds to form complex ribbons in the case of Ba5Al2Ge7 and sheets in the case of Ba7Al4Ge9. The electron count in the two compounds supports an interpretation of the structures according to the Zintl concept and the Wades rules. The small formal electron excess, caused by the incomplete transfer of charge from Ba towards the Al/Ge polyanions, decreases with the Ge content of the compound.

scholarly journals New Compounds RE(Zn,Al)8 and Yb4Zn20.3Al12.7 and their Crystal Structures

2006 ◽  
Vol 61 (7) ◽  
pp. 779-784 ◽  
Author(s):  
Ol’ga Stel’makhovych ◽  
Yurij Kuz’ma
Keyword(s):  
Intermetallic Compound ◽  
Crystal Structures ◽  
Structure Type ◽  
Type Structure ◽  
Space Group ◽  
X Ray ◽  
Structure Space ◽  
New Compounds ◽  
First Time ◽  
The Relationship

The crystal structures of several new compounds have been determined using X-ray analysis. The intermetallic compound HoZn5Al3 (a = 8.586(3), c = 16.538(5) Å , RF = 0.0413, RW = 0.0521) has its own structure type (space group I4/mmm), which has been found for the first time. The following compounds are isostructural with the previous one: YZn5.52Al2.48 (a = 8.6183(1), c = 16.5048(3) Å , RI = 0.078, RP = 0.116), DyZn4.96Al3.04 (a = 8.5887(1), c = 16.5002(3) Å , RI = 0.077, RP = 0.114), ErZn5.37Al2.63 (a = 8.5525(2), c =16.3997(5) Å , RI = 0.081, RP = 0.111), TmZn5.64Al2.36 (a = 8.70429(8), c = 16.3943(4) Å , RI = 0.088, RP = 0.095), LuZn5.58Al2.42 (a = 8.5616(1), c= 16.3052(3) Å , RI =0.081, RP =0.101). The intermetallic compound Yb4Zn20.3Al12.7 (a = 8.6183(1), c = 16.5048(3) Å , RI = 0.085, RP = 0.112) adopts the Yb8Cu17Al49 - type structure (space group I4/mmm). The relationship between the HoZn5Al3-type and the Yb8Cu17Al49-type structures is discussed.

Brom- und Chlorthionitrenkomplexe des Rheniums. Die Kristallstruktur von (PPh4)2 [ReBr4(NS)(NSBr)]·CH2Br2 Bromo- and Chlorothionitrene Complexes of Rhenium The Crystal Structure of (PPh4)2[ReBr4(NS)(NSBr)]·CH2Br2

1986 ◽  
Vol 41 (7) ◽  
pp. 825-830 ◽  
Author(s):  
Hans-Günter Hauck ◽  
Wolfgang Willing ◽  
Ulrich Müller ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Ring Cleavage ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Pyridine Complex ◽  
Subsequent Addition

AbstractThe thionitrosyl-halothionitrene com pounds (PPh4)2[ReX4(NS)(NSX)]·2 CH2X2, X = Cl or Br, are obtained by nucleophilic ring cleavage of the Re(N2S2) rings of complexes [ReX4(N2S2)]⊖ with PPh4X in CH2X2. (AsPh4)2[ReCl4(NS)(NSCl)] · CH2Cl2 can also be obtained by the reaction of [ReCl4(NSCl)(POCl3)] with S(NSiMe3)2 and subsequent addition of AsPh4Cl. The pyridine complex [ReBr2(NS)(NSBr)(NC5H5)2] · CH2Br2 forms by bromination of the corresponding chloro compound with Me3SiBr. The IR spectra are reported. The crystal structure of (PPh4)2[ReBr4(NS)(NSBr)] · CH2Br2 was determ ined by X-ray diffraction (4158 independent observed reflexions, R = 0.059). Crystal data: a = 1039.7, b - 1232.5, c - 2158.4 pm, α = 81.59, β = 87.05, γ = 77.06°, Z = 2, space group P1̄. The compound consists of PPh4⊕ ions, CH2Br2 molecules, and anions [ReBr4(NS)(NSBr)]2⊖ in which the rhenium atoms are coordinated by four bromine atoms, one thionitrosyl and one brom othionitrene group. The latter have cis arrangement and ReN bond lengths of 186 pm. W hereas the thionitrosyl group is nearly linear, the R = N = SBr group has an ReNS angle of 165°.

A New Type of Coordination Polymer: Hydrothermal Synthesis, Crystal Structure, and Magnetic Properties of [(C10H8N2)2CuBr]Cu3Br4

1998 ◽  
Vol 547 ◽  
Author(s):  
Brenda R. Cabrera ◽  
Ru-Ji Wang ◽  
Jing Li ◽  
Tan Yuen
Keyword(s):  
Hydrothermal Synthesis ◽  
Structure Type ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
One Dimensional ◽  
X Ray ◽  
Paramagnetic Behavior ◽  
Cell Dimensions ◽  
Susceptibility Study ◽  
New Type

AbstractGrowth of [(C10H8N2)2CuBr]Cu3Br4(I) crystals was achieved using the hydrothermal synthesis. Single crystal X-ray diffraction analysis shows that this compound crystallizes in monoclinic system, space group P21/c (no. 14) with four formula units in the unit cell. The cell dimensions are the following: a = 16.769(2) Å, b = 23.873(6) Å, c = 6.523(2) Å, β = 98.37(3)°, V = 2584(1) Å3. The title compound represents a new structure type. It consists of one-dimensional ribbons of 1[(Cu3Br4)] extending along the c-axis and discrete [(C10H8N2)2CuBr]+ complexes. The magnetic susceptibility study indicates a paramagnetic behavior due to the Cu(II) in the complex cations. The effective paramagnetic moment was calculated to be 2.20 μB from fitting the χ(T) data.

Crystal data for ternary compounds of the system Cu–As2Se3

1987 ◽  
Vol 20 (4) ◽  
pp. 323-323
Author(s):  
C. A. Majid ◽  
M. A. Hussain
Keyword(s):  
Diffraction Data ◽  
Lattice Parameters ◽  
Structural Studies ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Ternary Compounds

Structural studies of polycrystalline CuAsSe2, Cu3AsSe4 and Cu3AsSe3 are reported. These were found to be cubic with space group Pm{\bar 3}m and lattice parameters as follows: (1) CuAsSe2: a = 5.513(4) Å, V = 167.47(1) Å3, Z = 2; Dm = 5.56(6), Dx = 5.88 g cm−3. (2) Cu3AsSe4: a = 5.530(5) Å; V = 169.11(2) Å3; Z = 1; Dm = 5.51(5), Dx = 5.75 g cm−3. (3) Cu3AsSe3: a = 5.758(9) Å, V = 190.87(3) Å3, Z = 1, Dm = 5.03(9), Dx = 4.45 g cm−3. X-ray diffraction data using a Rigaku DMAX-IIIA diffractometer and Cu Kα radiation.

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