Structural characterization and Raman spectrum of Cs[OCN]

2020 ◽  
Vol 75 (1-2) ◽  
pp. 129-133
Author(s):  
Olaf Reckeweg ◽  
Armin Schulz ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Raman Spectrum ◽  
Alkali Metal ◽  
Single Crystals ◽  
Structural Characterization ◽  
Title Compound ◽  
Fermi Resonance ◽  
Metal Compounds ◽  
Space Group ◽  
Alkali Metal Compounds

AbstractThe compound Cs[OCN] has been synthesized and its crystal structure and Raman spectrum were determined on selected single crystals. As postulated in earlier work, the title compound crystallizes isopointal to KN3 exhibiting the space group I4/mcm (no. 140, Z = 4) with the lattice parameters a = 653.79(2) and c = 799.42(5) pm. The Raman spectrum verified the nature of the triatomic moiety and shows the frequencies typical for an [OCN]− anion with Fermi resonance between the 2δ and the νsym vibrations. The undisturbed frequencies and the resulting force constants have been calculated and compared to those of other alkali metal compounds containing comparable linear triatomic anions.

Alkalimetallformiate, VI. Die Kristallstruktur von Rubidiumhydrogendiformiat, RbH(HCO2)2 [1] / Alkali Metal Formates, VI. The Crystal Structure of Rubidium Hydrogen Diformate, RbH(HCO2)2 [1]

1994 ◽  
Vol 49 (8) ◽  
pp. 1123-1126
Author(s):  
Kerstin Müllera ◽  
Klaus-Jürgen Range ◽  
Anton M. Heyns
Keyword(s):  
Crystal Structure ◽  
Alkali Metal ◽  
Formic Acid ◽  
Single Crystals ◽  
Title Compound ◽  
Room Temperature ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Metal Formates ◽  
Potassium Compound

Single crystals of the title compound have been obtained by neutralization of formic acid with solid rubidium carbonate and subsequent solvent evaporation at room temperature. The very hygroscopic crystals are orthorhombic, space group Pbca (Nr. 61), with a = 7.614(1), b = 17.926(2), c = 7.862(1) Å and Z = 8. The structure, which has been refined to R = 0.072 and Rw = 0.067 for 1008 unique reflections, is isotypic with that of the analogous potassium compound. It comprises layers of edge-sharing distorted RbO8 square antiprisms, sandwiched between two adjacent formate layers. The sandwiches are hold together by O···H···O inter­actions, which are, however, rather weak.

Die Kristallstruktur des Lithium-Benzamidinats {Li3[C6H5 - C(NSiMe3)2]3 · NC - C6H5} / The Crystal Structure of the Lithium Phenylamidinate {Li3[C6H5 - C(NSiMe3)2]3 · NC - C6H5}

1994 ◽  
Vol 49 (10) ◽  
pp. 1444-1447 ◽  
Author(s):  
Helmut Goesmann ◽  
Dieter Fenske
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Single Crystals ◽  
Title Compound ◽  
The Other ◽  
Space Group ◽  
Structure Solution

AbstractSingle crystals of the title compound have been prepared by the reaction of benzonitrile with LiN-(SiMe3)2 in hexane and subsequent evaporation of the solvent. Space group P21/n, Z = 4, structure solution with 7945 observed unique reflections. R = 0.052. Lattice dimensions at -70 °C: a = 1485.2(9); b = 2486.9(11); c = 1568.9(8) pm; β = 91.06(4)°. The compound forms a trimeric ion ensemble in which two of the lithium cations are coordinated by three nitrogen atoms of two phenylamidinate an ions, the other one by four nitrogen atoms of two chelating phenylaminidate anions and in addition by the nitrogen atom of a benzonitrile molecule.

Die Kristallstruktur von [Na4(OSiPh3)4(H2O)3] / The Crystal Structure of [Na4(OSiPh3)4(H2O)3]

1996 ◽  
Vol 51 (11) ◽  
pp. 1583-1586 ◽  
Author(s):  
A. Mommertza ◽  
K. Dehnickea ◽  
J. Magull
Keyword(s):  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Single Crystals ◽  
Coordination Number ◽  
Structure Determination ◽  
Title Compound ◽  
Saturated Solution ◽  
Crystal Structure Determination ◽  
Humid Atmosphere ◽  
Space Group

Colourless single crystals of the title compound are obtained from a saturated solution of NaOSiPh3 in toluene in a humid atmosphere. We have characterized [Na4(OSiPh3)H2O)3] by IR spectroscopy and by a crystal structure determination. Space group R3, Z = 6 , R = 0.056. Lattice dimensions at -70°C: a = b = 1540.3 pm, c = 2639.6 pm. The compound has the structure of a Na4O4 heterocubane which is only slighty distorted and in which one of the sodium atoms is not hydrated and shows coordination number three.

Filling up another Gap: Synthesis and Crystal Structure of Ba2H3I

2011 ◽  
Vol 66 (11) ◽  
pp. 1087-1091 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Title Compound ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths

Colorless and transparent single crystals of Ba2H3I were obtained by reacting Ba with dried and sublimed NH4I in a 4 : 1 molar ratio in silica-jacketed Nb ampoules at 1100 K for 13 h. The crystal structure of the title compound was determined and refined by means of single-crystal X-ray diffraction. Ba2H3I crystallizes in a stuffed anti-CdI2 structure isotypic to Sr2H3I in the space group P3̄m1 (no. 164) with the lattice parameters a = 451.86(12) and c = 811.84(23) pm. The structural results for Ba2H3I are consistent with bond lengths and coordination geometries of related binary and ternary hydrides

Preparation and Crystal Structure Determination of [(C2Η5)4N]2Hg3Cl8

1995 ◽  
Vol 50 (1) ◽  
pp. 66-70 ◽  
Author(s):  
Inge Pabst ◽  
Peter Sondergeld ◽  
Mirjam Czjzek ◽  
Hartmut Fuess
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Analysis ◽  
Structure Determination ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Coordination Type ◽  
X Ray

The title compound has been prepared in two different ways: First, by boiling single crystals of [(C2H5)4N]HgCl3 in a mixture of n-hexane/n-octane [4:1] at T = 350 K, and second, in a synthesis from stoichiometric quantities of the components. X-ray structure analysis gave the stoichiometry [(C2H5)4N]2Hg3Cl8, monoclinic, space group P21, a = 7.538(3), b = 19.909(6), c = 10.274(3) Å, β = 95.13(1)°, V = 1535.7(9) A3, Z = 2. The basic [Hg3Cl8]2--units form broken zig-zag chains along [100]. The Hg–Cl distances within the [Hg3Cl8]2- clusters range from 2.315(3) to 2.755(4) Å. This is a new coordination type for halomercurates.

Complete X-ray single-crystal structure determination and Raman spectrum of NH4[C(CN)3]

2017 ◽  
Vol 72 (7) ◽  
pp. 517-521
Author(s):  
Olaf Reckeweg ◽  
Armin Schulz ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Raman Spectrum ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Title Compound ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
X Ray ◽  
Related Compounds

AbstractThe crystal structure of NH4[C(CN)3] has been determined via X-ray single-crystal methods at 203(2) K corroborating earlier results. Additionally, the hydrogen positions have been determined and the Raman spectrum of the title compound recorded on single crystals. The spectroscopic results are compared to those for related compounds.

Syntheses, Single-crystal Structure and Vibrational Spectra of Ca15(CBN)6(C2)2H2

2011 ◽  
Vol 66 (11) ◽  
pp. 1092-1096
Author(s):  
Olaf Reckeweg ◽  
Armin Schulz ◽  
Francis J. DiSalvoa
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Vibrational Spectra ◽  
Title Compound ◽  
Cell Parameter ◽  
Single Crystal Structure ◽  
Boron Powder ◽  
Space Group ◽  
Ir And Raman

Single crystals of Ca15(CBN)6(C2)2H2 were obtained either by the reaction of stoichiometric amounts of graphite, hexagonal BN, and CaH2 with an excess of distilled Ca, or by using graphite, boron powder, Ca3N2, and CaH2 with an excess of distilled Ca. Both reactions took place in silicajacketed Ta ampoules at 1400 K. Crystals of the title compound are transparent dark-red and isopointal to Ca15(CBN)6(C2)2O adopting the cubic space group Ia3̄d (no. 230, Z = 8) with the cell parameter a = 1653.30(17) pm. The vibrational spectra were recorded and are compared with IR and Raman data of isotypic compounds

scholarly journals Crystal structure of chain silicate Cs3LuSi3O9

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Hiromitsu Kimura ◽  
Hisanori Yamane
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Title Compound ◽  
Three Dimensional ◽  
Unit Cell ◽  
Single Chain ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Chain Silicate ◽  
A Chain

A caesium lutetium(III) silicate, Cs3LuSi3O9, was synthesized by heating a pelletized mixture of Cs2CO3, Lu2O3 and SiO2 at 1273 K. Single crystals of the title compound were grown in a melted area of the pellet. Cs3LuSi3O9 is a single-chain silicate (orthorhombic space group Pna21) with a chain periodicity of six and is isostructural with Cs3 RE IIIGe3O9 (RE = Pr, Nd and Sm–Yb). The two symmetry-dependent [Si6O18]12− chains in the unit cell lie parallel to the [011] direction. The Lu3+ ions are octahedrally coordinated by O atoms of the silicate chains, generating a three-dimensional framework. Cs+ ions are located in the voids in the framework.

Synthesis, Raman Spectrum and Single-Crystal Structure of CaBa8[CN2]6O2(N0.5H0.5)

2013 ◽  
Vol 68 (1) ◽  
pp. 39-43
Author(s):  
Olaf Reckeweg ◽  
Armin Schulz ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Raman Spectrum ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Title Compound ◽  
Bond Angle ◽  
Single Crystal Structure ◽  
Oxygen Impurity ◽  
Bond Lengths

Colorless, transparent single crystals of CaBa8[CN2]6O2(N0.5H0.5) (R3̄ (no. 148), a = 996.94(4) and c = 1803.18(8) pm, Z = 3) were obtained by the reaction of Ca3N2, Ba2N and NaHCN2 (of which one of the latter two most likely was contaminated with some oxygen impurity) in arcwelded Nb ampoules at 1200 K. The title compound consists of distorted (H/N)Ba6 octahedra which share two of their opposite faces with OBa4 tetrahedra interconnected by [N=C=N]2- units of Ca(N=C=N)6 octahedra with C=N bond lengths of 121.9(6) and 124.3(6) pm and with a bond angle deviating from linearity with (N-C-N) = 175:9(5)°. A Raman spectrum obtained from the crystal used for the structure determination indicates the presence of the [N=C=N]2- unit.

Ba9[NbN4]2O[Cn2] – Synthesis, Crystal Structure and Raman Spectrum

2003 ◽  
Vol 58 (1) ◽  
pp. 201-204 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Raman Spectrum ◽  
Single Crystal ◽  
Single Crystals ◽  
Title Compound ◽  
Single Crystal Diffraction ◽  
X Ray

Abstract Red transparent single crystals of Ba9[NbN4]2O[CN2] were synthesised by the reaction of BaO coated Ba metal, C and Nb powder in arc-welded Nb ampoules at 1300 K. The title compound was characterised by X-ray single crystal diffraction (P1̅ , a = 799.05(2), b = 962.61(2) and c = 1264.38(4) pm; α = 75.859(1), β = 85.745(1) and γ = 87.8621(8)°; Z = 2) and Raman spectroscopy (νsym = 1234 and δ = 632/658/668 cm−1). It now seems likely that a nitride-azide compound we previously reported, Ba9[NbN4]2N[N3], does not exist, but is in fact the title compound.

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