Ein Beitrag zur Chemie von Verbindungen des Bautyps MxPd3O4 / A Contribution to the Chemistry of the Compounds MxPd3O4

1979 ◽  
Vol 34 (12) ◽  
pp. 1661-1662 ◽  
Author(s):  
H.-J. Meyer ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Single Crystals ◽  
Type Structure ◽  
Space Group ◽  
X Ray ◽  
Structure Space ◽  
Ray Methods

Single crystals of a new compound Pd0.5Pd3O4 were prepared and investigated by X-ray methods. It crystallizes with NaxPt3O4-type structure (space group Oh3-Pm3n, a = 575.6 pm). The distribution of the oxydation states of Pd with respect to the lattice positions is discussed.

AB2X2-Verbindungen im CaAl2Si2-Typ, V[1] Zur Struktur der Verbindungen CaMn2P2, CaMn2As2, SrMn2P2 und SrMn2As2 / AB2X2-Compounds with the CaAl2Si2 Structure, V [1] The Crystal Structure of CaMn2P2, CaMn2As2, SrMn2P2, and SrMn2As2

1978 ◽  
Vol 33 (6) ◽  
pp. 606-609 ◽  
Author(s):  
Albrecht Mewis
Keyword(s):  
Crystal Structure ◽  
Type Structure ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Ternary Compounds ◽  
Structure Space ◽  
Ray Methods

Abstract Four ternary compounds with the formulas CaMn2P2, CaMn2As2, SrMn2P2, and SrMn2As2 have been prepared and investigated by X-ray methods. They are isotypic and crystallize trigonally in a CaAl2Si2-type structure (space group P3̅m 1-D33d) with the lattice constants: CaMn2P2 a = 4,096 ± 0,001 Å, c = 6,848 ± 0,002 Å, CaMn2As2 a = 4,239 ± 0,001 Å, c = 7,027 ± 0,003 Å, SrMn2P2 a = 4,168 ± 0,001 Å, c = 7,132 ± 0,001 Å, SrMn2As2 a = 4,306 ± 0,001 Å, c = 7,315 ± 0,001 Å. The lattice constants of BaMn2P2 and BaMn2As2 are given

Zur Kristallstruktur der Cyanoelpasolithe [N(CH3)4]2CsCo(CN)6 und [H3NCH3]2NaFe(CN)6 / Concerning the Crystal Structures of the Cyano-Elpasolites [N(CH3)4]2CsCo(CN)6 and [H3NCH3]2NaFe(CN)6

1994 ◽  
Vol 49 (10) ◽  
pp. 1373-1380 ◽  
Author(s):  
Stefan Peschel ◽  
Dietrich Babel
Keyword(s):  
Single Crystals ◽  
Crystal Structures ◽  
Iron Complex ◽  
Ammonium Cation ◽  
Type Structure ◽  
Space Group ◽  
X Ray ◽  
Tetramethyl Ammonium ◽  
Cyano Complexes ◽  
Ray Methods

Abstract Single crystals of the cyano complexes [N(CH3)4]2CsCo(CN)6 and [H3NCH3]2NaFe(CN)6 were prepared and their structures determined by X-ray methods. The cobalt compound is monoclinic, a =885.5(1), b = 892.6(2), c = 1259.9(5) pm, β = 90.29(4)°, space group I2/m, Z = 2; R1 = 0.048 for 861 independent reflections. The resulting average distances in the nearly undistorted octahedra are Co - C = 189.8, C - N = 114.1, Cs - N = 325.6 pm. The iron compound exhibits a cubic elpasolite type structure, a = 1105.2(1) pm, space group Fm 3m , Z = 4; R1 = 0.040 for 127 independent reflections; Fe - C = 193.4(6), Na - N = 247.7(8) pm. The orientation of the librating tetramethyl-ammonium group within the cages of the cobalt compound and the disorder of the monomethyl-ammonium cation around the special site (1/4, 1/4, 1/4) of the iron complex are discussed.

La5Ir1.73In4.27 with Lu5Ni2In4-type structure

2020 ◽  
Vol 75 (6-7) ◽  
pp. 709-713
Author(s):  
Nataliya Dominyuk ◽  
Vasyl’ I. Zaremba ◽  
Rainer Pöttgen
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Small Degree ◽  
Type Structure ◽  
Muffle Furnace ◽  
Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Structure Space ◽  
Arc Melting

AbstractSingle crystals of La5Ir1.73In4.27 were grown from a sample of the starting composition 47La: 17Ir: 36 In by arc-melting, followed by a long annealing sequence in a muffle furnace. La5Ir1.73In4.27 crystallizes with the Lu5Ni2In4-type structure, space group Pbam, which was refined from single-crystal X-ray diffractometer data: a = 834.0(2), b = 1862.2(4), c = 385.31(8) pm, wR2 = 0.0278, 1165 F2 values and 37 variables. The 4h iridium site shows a small degree of Ir/In mixing. Geometrically one can describe the La5Ir1.73In4.27 structure as a simple 4:1 intergrowth variant of CsCl and AlB2-related slabs. The iridium and indium atoms form a one-dimensional meandering [Ir1.73In4.27]δ– polyanion (292 pm Ir–In and 327 pm In–In) which is embedded in a lanthanum matrix.

AB2X2-Verbindungen im CaAl2Si2-Typ, IV [1] Zur Struktur der Verbindungen CaZn2Sb2, CaCd2Sb2, SrZn2Sb2 und SrCd2Sb2 / AB2X2 Compounds with the CaAl2Si2 Structure, IV [1J The Crystal Structure of CaZn2Sb2, CaCd2Sb2, SrZn2Sb2, and SrCd2Sb2

1978 ◽  
Vol 33 (4) ◽  
pp. 382-384 ◽  
Author(s):  
Albrecht Mewis
Keyword(s):  
Crystal Structure ◽  
Type Structure ◽  
Space Group ◽  
X Ray ◽  
Ternary Compounds ◽  
Structure Space ◽  
Ray Methods

Abstract The four ternary compounds CaZn2Sb2, CaCd2Sb2, SrZn2Sb2, and SrCd2Sb2 have been prepared and investigated by X-ray methods. They are isotypic and crystallize trigonally in a CaAl2Si2-type structure (space group P3̅m 1-D33d) with the following constants:CaZn2Sb2 a = 4.441 ± 0.001 Å, c = 7.464 ± 0.002 Å;CaCd2Sb2 a = 4.649 ± 0.001 Å, c = 7.597 ± 0.002 Å;SrZn2Sb2 a = 4.500 ± 0.001 Å, c = 7,716 ± 0.002 Å; SrCd2Sb2 a = 4.709 ± 0.001 Å, c = 7.822 ± 0.003 Å.

Über die Kristallstruktur von KSc2 F7 / The Crystal Structure of KSc2 F7

1985 ◽  
Vol 40 (6) ◽  
pp. 726-729 ◽  
Author(s):  
Klaus Güde ◽  
Christoph Hebecker
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Unit Cell ◽  
Space Group ◽  
X Ray ◽  
Monoclinic Unit Cell ◽  
R Value ◽  
Ray Methods

Abstract Single crystals of KSc2F7 have been prepared from a mixture of KF and ScF3 . The samples were investigated by X-ray methods. KSc2F7 crystallizes orthorhombically with a = 10.643(2), b = 6.540(1), c = 4.030(1) Å. These data indicate a close crystallographic connection to the monoclinic unit cell of KIn2F7 [1], But in contrast to KIn2F7 , KSc2 F7 crystallizes in space group No. 65. Cmmm - D192h. The R-value for 341 observed independent reflections is 0.060.

The solid solution TbNiIn1−x Ga x

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Myroslava Horiacha ◽  
Galyna Nychyporuk ◽  
Rainer Pöttgen ◽  
Vasyl Zaremba
Keyword(s):  
Solid Solution ◽  
Unit Cell ◽  
Type Structure ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Structure Space ◽  
Arc Melting

Abstract Phase formation in the solid solution TbNiIn1−x Ga x at 873 K was investigated in the full concentration range by means of powder X-ray diffraction and EDX analysis. The samples were synthesized by arc-melting of the pure metals with subsequent annealing at 873 K for one month. The influence of the substitution of indium by gallium on the type of structure and solubility was studied. The solubility ranges have been determined and changes of the unit cell parameters were calculated on the basis of powder X-ray diffraction data: TbNiIn1–0.4Ga0–0.6 (ZrNiAl-type structure, space group P 6 ‾ 2 m $P‾{6}2m$ , a = 0.74461(8)–0.72711(17) and c = 0.37976(5)–0.37469(8) nm); TbNiIn0.2–0Ga0.8–1.0 (TiNiSi-type structure, space group Pnma, а = 0.68950(11)–0.68830(12), b = 0.43053(9)–0.42974(6), с = 0.74186(10)–0.73486(13) nm). The crystal structures of TbNiGa (TiNiSi type, Pnma, a = 0.69140(5), b = 0.43047(7), c = 0.73553(8) nm, wR2=0.0414, 525 F 2 values, 21 variables), TbNiIn0.83(1)Ga0.17(1) (ZrNiAl type, P 6 ‾ 2 m $P‾{6}2m$ , a = 0.74043(6), c = 0.37789(3) nm, wR2 = 0.0293, 322 F 2 values, 16 variables) and TbNiIn0.12(2)Ga0.88(2) (TiNiSi type, Pnma, a = 0.69124(6), b = 0.43134(9), c = 0.74232(11) nm, wR2 = 0.0495, 516 F 2 values, 21 variables) have been determined. The characteristics of the solid solutions and the variations of the unit cell parameters are briefly discussed.

Crystal structure of mechanochemically prepared Ag2FeGeS4

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Eva M. Heppke ◽  
Shamini Mahadevan ◽  
Thomas Bredow ◽  
Martin Lerch
Keyword(s):  
Density Functional ◽  
Type Structure ◽  
Rietveld Refinements ◽  
Space Group ◽  
X Ray ◽  
Structure Space ◽  
Solid State Route ◽  
Wyckoff Position ◽  
Structure Evaluation ◽  
Hybrid Density Functional

Abstract Ag2FeGeS4 was synthesized as a phase-pure and highly crystalline product by mechanochemical milling from the binary sulfides and iron metal, followed by annealing in H2S atmosphere. The structure evaluation was carried out using X-ray powder diffraction with subsequent Rietveld refinements. As Fe and Ge atoms are not distinguishable using conventional X-ray methods, the chalcopyrite-type structure (space group I 4 ‾ 2 d $I‾{4}2d$ ), exhibiting a statistical distribution of Fe and Ge on Wyckoff position 4b, was considered. However, quantum-chemical calculations at hybrid density-functional level indicate that mechanochemically prepared Ag2FeGeS4 crystallizes in the kesterite-type structure (space group I 4 ‾ $I‾{4}$ ) where the cations are arranged in an ordered way. Ag2FeGeS4 is a further example of a mechanochemically prepared compound differing structurally from the commonly known polymorph exhibiting the stannite type (solid-state route).

Die Kristallstruktur von SrHg(SeCN)4 · 4 Pyridin / The Crystal Structure of SrHg(SeCN)4 · 4 Pyridine

1984 ◽  
Vol 39 (5) ◽  
pp. 582-585 ◽  
Author(s):  
Klaus Brodersen ◽  
Manfred Cygan ◽  
Hans-Ulrich Hummel
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Experimental Error ◽  
Space Group ◽  
X Ray ◽  
Ray Methods

Single crystals of SrHg(SeCN)4 · 4 pyridine are prepared by reaction of K2Hg(SeCN)4 with SrCl2 in CH3OH/C2H5OH in the presence of pyridine.The crystal structure was solved with X-ray methods (Mr = 1024.1, space group P4̄n2, Z = 2, a = 9.552(2) Å, c = 17.610(7) Å, V = 1606.7 Å3, λ(AgKα) = 0.5583 Å, dc = 2.12 g cm-3, μ(AgKα) = 57.40 cm-1, F(000) = 943.7, T = 298 K. Final R = 0.043 for 1050 independent reflections).The structure consists of nearly tetrahedral Hg(SeCN)4-units. The SeCN-group is linear within the experimental error. The N-atoms of SeCN and pyridine contribute to the Archimedean antiprismatic coordination of strontium

CaPtIn4 – an intergrowth variant of CaPtIn2 and indium slabs

2019 ◽  
Vol 74 (9) ◽  
pp. 693-698 ◽  
Author(s):  
Birgit Heying ◽  
Jutta Kösters ◽  
Rainer Pöttgen
Keyword(s):  
Intermetallic Compound ◽  
Single Crystal ◽  
Peritectic Reaction ◽  
Three Dimensional ◽  
Type Structure ◽  
Space Group ◽  
X Ray ◽  
Structure Space ◽  
Indium Metal

AbstractThe indium-rich intermetallic compound CaPtIn4 is formed in a peritectic reaction of CaPtIn2 and indium metal at T = 670 K (14 days annealing). CaPtIn4 crystallizes with the YNiAl4-type structure, space group Cmcm, which was refined from single crystal X-ray diffractometer data: a = 446.3(5), b = 1659.50(18), c = 756.8(8) pm, wR2 = 0.0646, 640 F2 values and 24 variables. Geometrically one can describe the CaPtIn4 structure as an intergrowth variant of CaPtIn2 (MgCuAl2 type) and indium slabs. The three-dimensional [PtIn4] polyanionic network shows short Pt–In distances of 269–280 pm and a broader range of In–In distances (304–378 pm) within substantially distorted In@In8 cubes.

Über das Erdalkalimetall-Lanthanoid-Kupfer-Oxomolybdat (Cu0,22Mg0 ,78)BaNd2Mo4O16/The Alkaline Earth Rare Earth Copper-Oxomolybdate (Cu0.22Mg0.78)BaNd2Mo4O16

1995 ◽  
Vol 50 (4) ◽  
pp. 577-580 ◽  
Author(s):  
H. Szillat ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Single Crystals ◽  
Alkaline Earth ◽  
Three Dimensional ◽  
Space Group ◽  
X Ray ◽  
Ray Methods

Single crystals of (Cu0.22Mg0.78)BaNd2Mo4O16 have been prepared by crystallization from melts and investigated by X-ray methods. The compound crystallizes monoclinically, space group C62h - C12/c1, Z = 4, a = 5.351(1), b = 12.891(2), c = 19.391(4) Å,β = 90.899(14)° and is isotypic to CuKHo2Mo4O16. The crystal structure is dominated by BaO10 and NdO8 polyhedra forming a three-dimensional polyhedra network, which is filled by axially distorted (Cu,Mg)O6 octahedra and MoO4 tetrahedra.

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