scholarly journals Rubidium chalcogenido diferrates(III) containing dimers [Fe2Q6]6− of edge-sharing tetrahedra (Q=O, S, Se)

2017 ◽  
Vol 72 (8) ◽  
pp. 529-547 ◽  
Author(s):  
Michael Schwarz ◽  
Pirmin Stüble ◽  
Caroline Röhr
Keyword(s):  
Magnetic Moments ◽  
Magnetic Ordering ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Electronic Band ◽  
Space Group ◽  
Coordination Numbers ◽  
Spin Ordering ◽  
Maximum Temperatures ◽  
Type Orthorhombic

AbstractThe two isotypic rubidium chalcogenido diferrates Rb12[Fe2Q6](Q2)3 (Q=S/Se), which both form needles with green-metallic lustre, were synthesized from Rb2S, elemental iron, rubidium and sulfur (Q=S) or from the pure elements (Q=Se) at maximum temperatures of 500–800°C. Their triclinic crystal structures were determined by means of X-ray single crystal data (space group P1̅, a=863.960(10)/903.2(3), b=942.790(10)/982.1(3), c=1182.70(2)/1227.4(4) pm, α=77.4740(10)/77.262(6), β=71.5250(10)/71.462(6), γ=63.7560(10)/63.462(5)°, Z=1, R1=0.0308/0.0658 for Q=S/Se). The structures contain isolated dinuclear anions [FeIII2Q6]6− composed of two edge-sharing [FeQ4] tetrahedra (dFe−Q =223.4–232.3/236.2–244.8 pm), which are also found in the two polymorphs of the pure alkali diferrates Rb6[Fe2Q6]. The diferrate ions are arranged in layers running in the a/b plane around z=0. Inbetween (around $z \approx {1 \over 2}$), two crystallographically different disulfide/diselenide ions $Q_2^{2 - }$ (dQ−Q =211.1–213.4/237.9–241.1 pm), which are arranged in slightly puckered 36 nets, are intercalated. The intra-anionic distances and angles, the Rb coordination numbers and the molar volumes of these two ‘double-salts’ are in accordance with their corresponding reference compounds, Rb6[Fe2Q6] and Rb2Q2. In addition, the two polymorphs of Rb6[Fe2Se6], which are both isotypic with the sulfido analogous (Cs6[Ga2Se6]-type, monoclinic, space group P21/c, a=827.84(5), b=1329.51(7), c=1074.10(6) pm, β=127.130(5)°, R1=0.0443 and Ba6[Al2Sb6]-type, orthorhombic, space group Cmce, a=1963.70(3), b=718.98(3), c=1348.40(7) pm, R1=0.0264) were prepared and characterized to complete the series of alkali diferrates(III) with oxido, sulfido and selenido ligands. The electronic band structures of the three Rb salts Rb6[Fe2Q6], which have been calculated within the GGA+U approach applying an AFM spin ordering in the dimers and appropriate Hubbard parameters, allow a comparison of the chemical bonding characteristics (e.g. covalency) and the magnetic properties (magnetic moments) within the series of chalcogenido ligands. An analysis of the spin densities enables a comparative consideration of the mechanisms crucial for the magnetic ordering in chalcogenido ferrates. Ultimately, the electronic structure of the new compound Rb12[Fe2S6](S2)3 nicely compares with those of the S2-free reference compound Rb6[Fe2S6].

Gemischte Alkalimetall-Oxidosulfidomolybdate A2[MoOxS4– x] (x = 1, 2, 3; A = K, Rb, Cs, NH4). Synthesen, Kristallstrukturen und Eigenschaften / Mixed Alkali Oxidosulfidomolybdates A2[MoOxS4−x] (x = 1, 2, 3; A = K, Rb, Cs, NH4).Synthesis, Crystal Structure and Properties

2012 ◽  
Vol 67 (2) ◽  
pp. 127-22
Author(s):  
Anna J. Lehner ◽  
Korina Kraut ◽  
Caroline Röhr
Keyword(s):  
Bathochromic Shift ◽  
Structure Type ◽  
Structure Theory ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Coordination Numbers ◽  
Preparation Conditions ◽  
Vis Spectroscopy ◽  
Type Orthorhombic

Mixed sulfido/oxidomolybdate anions [MoOxS4−x]2− (x = 1, 2, 3) have been prepared by passing H2S gas through a solution of oxidomolybdates. The alkali salts of K+, Rb+, Cs+, and NH+4 precipitate as crystalline salts from these solutions depending on the pH, the polarity of the solvent, the educt concentrations and the temperature. Their structures have been determined by means of X-ray single-crystal diffraction data. All trisulfidomolybdates A2[MoOS3] (A = NH4/K/Rb/Cs) are isotypic with the tetrasulfido salts, exhibiting the β -K2[SO4] type (orthorhombic, space group Pnma, Z = 4; for A = Rb: a = 940.62(4), b = 713.32(4), c = 1164.56(5) pm, R1 = 0.0281). In contrast, the disulfidomolybdates exhibit a rich crystal chemistry, forming three different structure types depending on the preparation conditions and the size of the A cation: All four cations form salts crystallizing with the (NH4)2[WO2S2] structure type (monoclinic, space group C2/c, Z = 4, for A = Rb: a = 1144.32(11), b = 732.60(4), c = 978.99(10) pm, β = 120.324(7)°, R1 = 0.0274). For the three alkali metal cations a second polymorph with a new structure type (monoclinic, space group P21/c, Z = 4) is observed in addition (for A = Rb: a = 674.83(2), b = 852.98(3), c = 1383.10(9) pm, β = 115.19(1)°, R1 = 0.0216). The cesium salt also crystallizes with a third modification of another new structure type (orthorhombic, space group Pbcn, Z = 4, a = 915.30(6), b = 777.27(7), c = 1120.02(7) pm, R1 = 0.0350). Only for K, an anhydrous monosulfidomolybdate could be obtained (K2[MoO4] structure type, monoclinic, space group C2/m, Z = 4, a = 1288.7(3), b = 615.7(2), c = 762.2(1) pm, β = 109.59(1)°, R1 = 0.0736). The intramolecular chemical bonding in the molybdate anions is discussed and compared with the respective vanadates. Hereby aspects like bond lengths, bond strengths and force constants derived from Raman spectroscopy, are taken into account. Especially for the polymorphic disulfido salts, in-depth analyses of the local coordination numbers and the packing of the ions are presented. The gradual bathochromic shift of the crystal color with increasing S content and increasing size of the counter cations A and molar volumes (for the polymorphic forms), respectively, is in accordance with the increase of the experimental (UV/Vis spectroscopy) and calculated (FP-LAPW band structure theory) band gaps.

CaAgxZn1– x: Zwischen CrB- und FeB-Strukturtyp – Eine Studie zu elektronischen Einflüssen auf die Stapelung von Zick-Zack-Ketten in polaren Erdalkalimetall-Monometalliden / CaAgxZn1−x: Between CrB and FeB Structure Type – A Study on Electronic Factors Influencing the Stacking of Zig-zag Chains in Polar Alkaline Earth Monometallides

2009 ◽  
Vol 64 (10) ◽  
pp. 1127-1142 ◽  
Author(s):  
Wiebke Harms ◽  
Viktoria Mihajlov ◽  
Marco Wendorff ◽  
Caroline Röhr
Keyword(s):  
Alkaline Earth ◽  
Valence Electron ◽  
Computational Study ◽  
Structure Type ◽  
Binary Compound ◽  
Monoclinic Space Group ◽  
Stacking Sequence ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Type Orthorhombic

Depending on both electronic (valence electron numbers) and geometric (atom size ratios) characteristics of the contributing elements, the 1 : 1 compounds AIIM of the heavier alkaline earth elements A and electron-rich transition metals M form the well known CrB or FeB structure types. Both structure types exhibit M zig-zag chains, which are stacked in different orientations. In systematic studies of the pseudo-binary section CaAgxZn1−x four new ternary phases with different stacking variants between the CrB (cubic stacking, c) and the FeB (hexagonal stacking, h2) structure type have been prepared and characterized on the basis of single crystal X-ray data. Starting from CaAg (CrB type, orthorhombic, space group Cmcm, a = 405.22(7), b = 1144.7(2), c = 464.43(11) pm, Z = 4, R1 = 0.0197), up to 24% of Ag (CaAg0.76Zn0.24: a = 408.6(2), b = 1144.3(5), c = 460.7(2) pm, R1 = 0.0208) can be substituted by zinc without a change in the structure type. Close to the 1 : 1 ratio of Ag and Zn, the HT-TbNi structure type with the stacking sequence (hc2)2, i. e. 33% hexagonality (CaAg0.52Zn0.48: orthorhombic, space group Pnma, a = 2345.47(6), b = 454.370(10), c = 609.950(10) pm, Z = 12, R1 = 0.0298) is formed, followed by the SrAg type with 50% hexagonality (CaAg0.48Zn0.52: orthorhombic, space group Pnma, a = 1571.0(2), b = 451.50(7), c = 609.80(9) pm, Z = 8, R1 = 0.0733). The amount of hexagonal stacking is further increased with increasing Zn content in CaAg0.33Zn0.67 (Gd0.7Y0.3 structure type, h2c stacking, 67% hexagonality, monoclinic, space group P21/m, a = 610.39(9), b = 448.53(5), c = 1195.7(2) pm, β = 96.829(14)◦, Z = 3, R1 = 0.0221). Finally, a pure hexagonal stacking sequence, i. e. the FeB structure type (orthorhombic, space group Pnma, Z = 4) is observed from CaAg0.14Zn0.86 (a = 804.57(2), b = 443.050(10), c = 611.350(10) pm, R1 = 0.0131) to CaAg0.06Zn0.94 (a = 806.1(3), b = 441.0(2), c = 610.4(3) pm, R1 = 0.0255). Intriguingly, the series ends with the binary compound CaZn, which again crystallizes with the CrB structure type exhibiting cubic stacking of the zig-zag chains only (0% hexagonality). In an accompanying computational study, the chemical bonding in the series Ca(Ge/Ga/Zn/Ag) of isotypic binary metallides with variable valence electron numbers has been analyzed using FP-LAPW band structure methods. The electronic structures of the two border stacking variants are compared using the crystal data of CaZn (CrB type) and CaAg0.06Zn0.94 (FeB type). Geometrical and electronic criteria are used to compare and discuss the stability ranges of the different stacking variants inbetween the CrB and the FeB structure type found in polar intermetallic 1 : 1 phases.

Ba5(Al/Ga)5(Sn/Pb): Neue Verbindungen an der Zintl-Grenze / Ba5(Al/Ga)5(Sn/Pb): New Compounds at the Zintl Border

2006 ◽  
Vol 61 (7) ◽  
pp. 846-853 ◽  
Author(s):  
Kristin Guttsche ◽  
Angela Rosin ◽  
Marco Wendorff ◽  
Caroline Röhr
Keyword(s):  
Structure Type ◽  
Intermetallic Phases ◽  
Zintl Phases ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Ternary Compounds ◽  
Maximum Temperatures ◽  
New Compounds ◽  
Type Orthorhombic ◽  
Structural Aspects

The new isotypic intermetallic phases Ba5MIII5MIV (MIII = Al, Ga; MIV = Sn, Pb) have been synthesized from stoichiometric amounts of the elements at maximum temperatures of 900 to 1000 ◦C. They crystallize in the hexagonal space group P6̄m2 (Ba5Al5Sn: a = 605.05(8), c = 1109.0(2) pm, R1 = 0.0137; Ba5Ga5Sn: a = 599.45(5), c = 1086.00(7) pm, R1 = 0.0485; Ba5Al5Pb: a = 606.9(2), c = 1112.0(4) pm, R1 = 0.0409 and Ba5Ga5Pb: a = 601.76(7), c = 1091.51(13) pm, R1 = 0.0295), forming a new structure type. Similar to the Zintl phases Ba2MIV (Co2Si structure type, orthorhombic, space group Pnma; Ba2Sn: a = 861.52(14), b = 569.85(9), c = 1056.9(2) pm, R1 = 0.0217 and Ba2Pb: a = 865.12(13), b = 569.1(2), c = 1061.8(2) pm, R1 = 0.0470), these new ternary phases contain isolated MIV atoms (coordinated by 11 Ba atoms). In addition, sheets of 3- and 4-bonded Al/Ga atoms similar to those in Ba3Al5 are present. In accordance with this, a formal subdivision of Ba5MIII5MIV into Ba3MIII5 ・ Ba2MIV can be performed to describe the observed intergrowth or chemical twinning of two different binary intermetallics to give the new ternary compounds. Beyond structural aspects, also the nature of the chemical bonding (as studied by FP-LAPW calculations) in these new, non-electron precise compounds in the vicinity of the Zintl border can be interpreted in this vein.

Aluminium-Germanide der zweiwertigen Lanthanoide Eu und Yb: Synthese, Strukturchemie und chemische Bindung

2011 ◽  
Vol 66 (8) ◽  
pp. 793-812
Author(s):  
Britta Bauer ◽  
Caroline Röhr
Keyword(s):  
Alkaline Earth ◽  
Building Blocks ◽  
Structure Type ◽  
Monoclinic Space Group ◽  
Total Density ◽  
Structural Element ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Type Orthorhombic ◽  
Total Density Of States

In the course of attempts to substitute Ca by Yb and Sr by Eu in known alkaline earth Al-germanides, the four new ternary compounds Eu3Al1.8Ge2.2, Eu3 Al2Ge4, Yb2 AlGe3, and Yb17Al8Ge19 have been synthesized from mixtures of the elements and their crystal structures determined by means of single-crystal X-ray data. The two europium compounds Eu3Al1.8Ge2.2 (Ta3B4 structure type, orthorhombic, space group Immm, a = 417.68(3), b = 470.70(3), c = 1897.2(2) pm, Z = 2, R1 = 0.0439) and Eu3Al2Ge4 (Sr3Al2Ge4 structure type, monoclinic, space group C2/m, a = 1235.9(6), b = 416.8(2), c = 878.4(4) pm, β = 110.615(13)°, Z = 2, R1 = 0.0978) are isotypic with the corresponding strontium phases. After ionic decomposition, the layers [Al2- Ge4- ]6− in Eu3Al2Ge4 with four-bonded Al and three-bonded Ge atoms can be interpreted as electron-precise Zintl anions. In contrast, the planar ribbons 1∞[Al2/2Ge2Al2/2] of condensed six-membered rings in Eu3Al1.8Ge2.2 exhibit considerably shorter Al-Ge bonds and an Al-Al bond length of only 251 pm. Yb2AlGe3 (orthorhombic, space group Pnma, a = 682.20(10), b = 417.87(9), c = 1813.9(3) pm, Z = 4, R1 = 0.0415) crystallizes with the Y2AlGe3 structure type. Folded [Al2Ge2] ladders, also found in Eu3Al2Ge4 and the known compound Yb7Al5Ge8, are connected by planar cis/trans chains of Ge atoms. The total density of states calculated within the FP-LAPW|DFT band structure approach shows a distinct minimum at the Fermi level for the electron precise Zintl compound Eu3Al2Ge4, whereas π-bonding contributions are evident from the band structures of Eu3Al2Ge2 and Yb2AlGe3. In full accordance, the tDOS of both compounds exhibits no minimum at EF, small phase widths are possible for Eu3Al2Ge2 and related alkaline earth compounds, and Yb2AlGe3 is isotypic with several other more electron-rich LnIII compounds. The complicated structure of the new compound Yb17Al8Ge19 (tetragonal, space group P4/nmm, a = 1542.50(2), c = 788.285(8) pm, Z = 2, R1 = 0.0282) contains three different building blocks: distorted [Al4Ge4] heterocubane units are interconnected by four-bonded Ge atoms to form columns running along the c axis. Secondly, eight-membered rings are formed by alternating Al and Ge atoms, each being in a trigonal-planar Al/Ge coordination. The rings are terminated by Ge atoms (bonded to Ge of the ring) and linked to the first structural unit by a further Ge atom (bonded to Al of the ring). Thirdly, inside the large channels, which are formed by the packing of the eightmembered rings, Ge2 dumbbells are interspersed as a third structural element.

scholarly journals Mode-crystallography analysis and magnetic structures of SrLnFeRuO6 (Ln = La, Pr, Nd) disordered perovskites

2012 ◽  
Vol 68 (6) ◽  
pp. 590-601 ◽  
Author(s):  
E. Iturbe-Zabalo ◽  
O. Fabelo ◽  
M. Gateshki ◽  
J. M. Igartua
Keyword(s):  
Room Temperature ◽  
Magnetic Moments ◽  
Structural Phase ◽  
Magnetic Ordering ◽  
Antiferromagnetic Order ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Magnetic Structures ◽  
Second Order Transition ◽  
The Ideal

The crystal and magnetic structures of SrLnFeRuO6 (Ln = La, Pr, Nd) double perovskites have been investigated. All compounds crystallize with an orthorhombic Pbnm structure at room temperature. These materials show complete chemical disorder of Fe and Ru cations for all compounds. The distortion of the structure, relative to the ideal cubic perovskite, has been decomposed into distortion modes. It has been found that the primary modes of the distortion are octahedral tilting modes: R + 4 and M + 3. The crystal structure of SrPrFeRuO6 has been studied from room temperature up to 1200 K by neutron powder diffraction. There is a structural phase transition from orthorhombic (space group Pbnm) to trigonal (space group R\bar{3}c) at T = 1075 K. According to group theory no second-order transition is possible between these symmetries. Magnetic ordering for all the compounds is described by the magnetic propagation vector (0,0,0). SrPrFeRuO6 shows ferrimagnetic order below ca 475 K, while SrLaFeRuO6 (below ca 450 K) and SrNdFeRuO6 (below ca 430 K) exhibit canted-antiferromagnetic order. The magnetic moments at low temperatures are m(Fe/Ru) = 1.88 (3)μB for SrLaFeRuO6 (2 K), m(Pr) = 0.46 (4)μB and m(Fe/Ru) = 2.24μB for SrPrFeRuO6 (2 K), and m(Fe/Ru) = 1.92μB for SrNdFeRuO6 (10 K).

scholarly journals Assembly of ZnIIand CdIIcoordination polymers with different dimensionalities based on the semi-flexible 3-(1H-benzimidazol-2-yl)propanoic acid ligand

2018 ◽  
Vol 74 (1) ◽  
pp. 28-33 ◽  
Author(s):  
Xiao-Yan Li ◽  
Yong-Qiong Peng ◽  
Juan Li ◽  
Wei-Wei Fu ◽  
Yang Liu ◽  
...  
Keyword(s):  
Chain Structure ◽  
Dimensional Structure ◽  
Propanoic Acid ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Core Complex ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Coordination Numbers ◽  
Synthetic Strategy

Two new coordination polymers, namely, poly[[μ3-3-(1H-benzimidazol-2-yl)propionato]zinc(II)], [Zn(C10H8N2O2)]n, (1), and poly[bis[μ2-3-(1H-benzimidazol-2-yl)propionato]cadmium(II)], [Cd(C10H8N2O2)2]n, (2) have been synthesized from 3-(1H-benzoimidazol-2-yl)propanoic acid ligands through a mixed-ligand synthetic strategy under a solvothermal environment, and studied by single-crystal X-ray diffraction. Complex1crystallizes in the orthorhombic space groupPbcaand features a two-dimensional structure formed by a binuclear Zn2O4core. Complex2, however, crystallizes in the monoclinic space groupP21/cand forms a one-dimensional chain structure. The ZnIIand CdIIions have different coordination numbers and the 3-(1H-benzoimidazol-2-yl)propanoate ligands display different coordination modes. The structures reported here show the importance of the selection of metal ions and suitable ligands.

X-ray investigation and discussion of the magnetostriction of Gd3T(T= Ni, Rh, Irx) single crystals

2000 ◽  
Vol 33 (2) ◽  
pp. 213-217 ◽  
Author(s):  
J. Kusz ◽  
H. Böhm ◽  
E. Talik
Keyword(s):  
Single Crystals ◽  
Magnetic Ordering ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Spontaneous Magnetostriction ◽  
Magnetic Ordering Temperature

The variations of the lattice parameters of Gd3T(T= Ni, Rh, Irx) single crystals with temperature were measured in the range 10–300 K. The compounds with Ni and Rh crystallize in the orthorhombic space groupPnma, but the compound with Ir crystallizes as Gd5Ir2in the monoclinic space groupA2/a. The three compounds exhibit an anomalous anisotropic spontaneous magnetostriction below the magnetic ordering temperature.

Neue gemischte Zinn-reiche Erdalkalimetall-Stannide – Synthese, Strukturchemie und chemische Bindung / New Mixed Tin-rich Alkaline Earth Stannides – Synthesis, Structural Chemistry and Chemical Bonding

2011 ◽  
Vol 66 (3) ◽  
pp. 245-261
Author(s):  
Marco Wendorff ◽  
Caroline Röhr
Keyword(s):  
Structural Features ◽  
Monoclinic Space Group ◽  
Total Density ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Counting Rules ◽  
New Compounds ◽  
Tin Content ◽  
Type Orthorhombic ◽  
Total Density Of States

Ternary mixed Ca/Ba-Sr pentastannides AIISn5 (AII = Ca, Sr, Ba) have been synthesized from stoichiometric mixtures of the elements or from tin-rich melts. The crystal structures of two new compounds of overall composition ASn5 (A = Sr, Ba) were determined by means of single-crystal X-ray data. The structures of both Sr0.94Ba0.06Sn5 (monoclinic, space group C2/m, a = 1762.8(11), b = 704.1(3), c = 1986(2) pm, β = 100.31(6)º, Z = 14, R1 = 0.0996) and Sr0.89Ba0.11Sn5 (orthorhombic, space group Cmcm, a = 708.1(2), b = 1770.4(8), c = 2781.6(11) pm, Z = 20 , R1 = 0.0821) are closely related and can be described by different stacking sequences of comparable nets. They both resemble the structural features of the tristannides AIISn3 in forming dimers and trimers of facesharing Sn6-octahedra, which are further connected via common corners. According to the higher tin content, the rods formed of the octahedra are interspersed by additional Sn atoms, which themselves show a bonding situation resembling the structure of elementary tin. The complex tin network formed by the strong Sn-Sn bonds alone can be regarded as a cutout of the hexagonal diamond structure. In this view, the similarities of the title compounds to the known binary stannides BaSn5 and SrSn4 become apparent. The phase widths of the latter have been investigated and shown to reach up to Sr0.37Ba0.63Sn5 (BaSn5 type, hexagonal, space group P6/mmm, a = 536.8(2), c = 695.2(3) pm, R1 = 0.0312) and Sr0.79Ca0.21Sn4 (SrSn4 type, orthorhombic, space group Cmcm, a = 461.7(3), b = 1714.1(14), c = 706.7(4) pm, Z = 4, R1 = 0.0861), respectively. The total density of states calculated for the orthorhombic pentastannide within the FP-LAPW DFT band structure approach shows a broad minimum at the Fermi level, which can be explained using the Zintl and the Wade/Jemmis electron counting rules.

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).

Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

2015 ◽  
Vol 70 (3) ◽  
pp. 191-196 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

Sign in / Sign up

Export Citation Format

Share Document