Structure analysis of high-pressure metallic state of the three-dimensional mixed-valence compound Cs2AuIAuIIII6 by X-ray diffraction using SR

1991 ◽  
Vol 42 (1-2) ◽  
pp. 1953-1956 ◽  
Author(s):  
H. Kitagawa ◽  
H. Sato ◽  
N. Kojima ◽  
T. Kikegawa ◽  
O. Shimomura
Keyword(s):  
High Pressure ◽  
Structure Analysis ◽  
Mixed Valence ◽  
Three Dimensional ◽  
Metallic State ◽  
X Ray Diffraction ◽  
X Ray ◽  
Mixed Valence Compound

Die neuen Oxobismutate(III) Cs6Bi4O9, K9Bi5O13 und A2Bi4O7 (A = Rb, Cs) / The New Oxobismutates(III) Cs6Bi4O9, K9Bi5O13 and A2Bi4O7 (A = Rb, Cs)

2002 ◽  
Vol 57 (10) ◽  
pp. 1090-1100
Author(s):  
Franziska Emmerling ◽  
Caroline Röhr
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Alkali Metals ◽  
Mixed Valence ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Mixed Valence Compound

AbstractThe title compounds were synthesized at a temperature of 700 °C via oxidation of elemental Bi with the hyperoxides AO2 or via reaction of the elemental alkali metals A with Bi2O3. Their crystal structures have been determined by single crystal x-ray diffraction. They are dominated by two possible surroundings of Bi by O, the ψ-trigonal-bipyramidal three (B) and the ψ-tetrahedral four (T) coordination. Cs6Bi4O9 (triclinic, spacegroup P1̄, a = 813.82(12), b = 991.60(14), c = 1213.83(18) pm, α = 103.658(2), β = 93.694(3), γ = 91.662(3)°, Z = 2) contains centrosymmetric chain segmentes [Bi8O18]12- with six three- (T) and two four-coordinated (B) Bi(III) centers. K9Bi5O13 (monoclinic, spacegroup P21/c, a = 1510.98(14), b = 567.59(5), c = 2685.6(2) pm, β = 111.190(2)°, Z = 4) is a mixed valence compound with isolated [BivO4]3- tetrahedra and chains [BiIII4O9]6- of two T and two B coordinated Bi. In the compounds A2Bi4O7 (A = Rb/Cs: monoclinic, C2/c, a = 2037.0(3) / 2130.6(12), b = 1285.5(2) / 1301.9(7), c = 1566.6(2) / 1605.6(9) pm, β = 94.783(3) / 95.725(9)°, Z = 8) ribbons [Bi4O6O2/2]2- are formed, which are condensed to form a three-dimensional framework.

Synthesis, Crystal Structure, and Spectral Characterization of Novel Three-dimensional Supramolecular Networks with One-dimensional Channels Based on Keggin-type Polyoxoanions and Mixed-Valence Dibenzotetrathiafulvalenes

2007 ◽  
Vol 62 (2) ◽  
pp. 195-199 ◽  
Author(s):  
Dongmei Shi ◽  
Haijun Pang ◽  
Fanxia Meng ◽  
Yu Sun ◽  
Kun Liu ◽  
...  
Keyword(s):  
Mixed Valence ◽  
Three Dimensional ◽  
Radical Cations ◽  
Water Molecules ◽  
Supramolecular Network ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Keggin Type ◽  
Supramolecular Networks

A new organic/inorganic salt formed by mixed-valence dibenzotetrathiafulvalene (DBTTF) radical cations and the spherical Keggin-type polyoxometalate anions [H3BW12O40]2− was obtained by electrochemical oxidation of the donor in an acetonitrile and a 1,2-dichloroethane solution containing the polyanion. The compound has been characterized by X-ray diffraction, elemental analysis, EPR, IR and Raman spectroscopy. X-Ray diffraction experiments have revealed that the compound consists of heteropolyanions, water molecules and DBTTF radical cations. The organic radicals form trimers and dimers via π-π stacking; moreover, the polyoxoanions and the organic donors are also held together by hydrogen bonding interactions. In their packing arrangement, a three-dimensional supramolecular network with one-dimensional channels along the b axis is established with uncoordinated water molecules residing in the channels.

scholarly journals The untypical high-pressure Zintl phase SrGe6

2020 ◽  
Vol 75 (1-2) ◽  
pp. 209-216 ◽  
Author(s):  
Ulrich Schwarz ◽  
Rodrigo Castillo ◽  
Julia M. Hübner ◽  
Aron Wosylus ◽  
Yurii Prots ◽  
...  
Keyword(s):  
High Pressure ◽  
Ambient Pressure ◽  
Three Dimensional ◽  
Structure Type ◽  
Ambient Conditions ◽  
X Ray Diffraction ◽  
Quantum Chemical Analysis ◽  
Electronic Density ◽  
X Ray ◽  
High Pressure High Temperature

AbstractThe binary strontium germanide SrGe6 was synthesized at high-pressure high-temperature conditions of approximately 10 GPa and typically 1400 K before quenching to ambient conditions. At ambient pressure, SrGe6 decomposes in a monotropic fashion at T = 680(10) K into SrGe2 and Ge, indicating its metastable character. Single-crystal X-ray diffraction data indicate that the compound SrGe6 adopts a new monoclinic structure type comprising a unique three-dimensional framework of germanium atoms with unusual cages hosting the strontium cations. Quantum chemical analysis of the chemical bonding shows that the framework consists of three- and four- bonded germanium atoms yielding the precise electron count Sr[(4bGe0]4[(3b)Ge−]2 in accordance with the 8 − N rule and the Zintl concept. Conflicting with that, a pseudo-gap in the electronic density of states appears clearly below the Fermi level, and elaborate bonding analysis reveals additional Sr–Ge interactions in the concave coordination polyhedron of the strontium atoms.

Notizen: (i-C37HNH3+)8(Cl-)4[SbCl6]3-[SbCl6]- eine neue mixed valence-Verbindung.

1976 ◽  
Vol 31 (9) ◽  
pp. 1285-1286 ◽  
Author(s):  
G. Birke ◽  
H. P. Latscha ◽  
H. Pritzkow
Keyword(s):  
Structure Analysis ◽  
Mixed Valence ◽  
X Ray ◽  
Mixed Valence Compound

The reaction between isopropylamine and isopropylammonium hexachloroantimonate(V) yields a red product of the composition C12H40Cl8N4Sb. The X-ray structure analysis showed that this is a mixed valence compound of SbCl63- and SbCl6- octahedra.

scholarly journals Aberrant electronic and structural alterations in pressure tuned perovskite NaOsO3

2020 ◽  
Vol 5 (1) ◽  
Author(s):  
Raimundas Sereika ◽  
Peitao Liu ◽  
Bongjae Kim ◽  
Sooran Kim ◽  
Jianbo Zhang ◽  
...  
Keyword(s):  
High Pressure ◽  
Structural Transition ◽  
Metallic State ◽  
Polar Phase ◽  
X Ray Diffraction ◽  
Metal Insulator ◽  
X Ray ◽  
New States ◽  
Induced Changes ◽  
Electronic Character

Abstract The perovskite NaOsO3 has a metal–insulator transition at temperature 410 K, which is delicate, intriguing, and provokes a lot of debate on its nature. Our combined electrical resistance, Raman, and synchrotron x-ray diffraction experiments show that the insulating ground state in this osmate endures under high pressure up to at least 35 GPa. In this pressure range, compression reveals hidden hysteretic resistance properties with a transient metallic state near 200 K, manifested three electronic character anomalies (at 1.7, 9.0, and 25.5 GPa), and a structural transition to the singular polar phase (at ~18 GPa). We distinguish NaOsO3 from the regular crystallographic behavior of perovskites, though the electrical specificities resemble iridates and nickelates. The theoretical first-principle band structure and lattice dynamics calculations demonstrate that the magnetically itinerant Lifshitz-type mechanism with spin–orbit and spin–phonon interactions is responsible for these pressure-induced changes. Our findings provide another new playground for the emergence of new states in 5d materials by using high-pressure methods.

Über zwei Modifikationen von "Tl2Cl3"-valenzgemischten Thallium(I)-hexahalogenothallaten(III) Tl3 [TlCl6] / On Two Modifications of "Tl2Cl3"-Mixed Valence Thallium(I)-hexahalogenothallates(III)

1980 ◽  
Vol 35 (11) ◽  
pp. 1366-1372 ◽  
Author(s):  
Reinhild Böhme ◽  
Jörg Rath ◽  
Bernd Grunwald ◽  
Gerhard Thiele
Keyword(s):  
Crystal Structure ◽  
Raman Spectra ◽  
Diffraction Data ◽  
Mixed Valence ◽  
Three Dimensional ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters ◽  
Thallium Chloride

The mixed valence thallium chloride "Tl2Cl3" is polymorphous. Raman spectra and comparable lattice translations suggest similar structures of both modifications. The crystal structure of the rhombic α-Tl2Cl3 crystallizing in yellow, needle-shaped crystals, has been determined from three-dimensional X-ray diffraction data. The unit cell with cell parameters a= 1474.8(5) pm, b - 2508.7(6) pm and c = 1267.6(2) pm contains 16 formula units distributed on 24 independent atom positions. The compound is a mixed valence thallium(I)-hexachlorothallate(III) Tl3[TlCl6] because three of the nine independent Tl atoms are surrounded octahedrally by CI atoms in distances of 250-265 pm, while the other Tl atoms have seven, eight or nine CI neighbours variing between 306 and 383 pm.β-Tl3[TlCl6] forms pale yellow thin platelets and crystallizes monoclinic with cell parameters a = 2549.4(13) pm, 6 = 1469.9(8) pm, c = 1308.5(12) pm and β = 108.58°.

A5Fe3O6] (A = Rb, Cs), Cs[FeO2] und Cs8[Fe2O7]: Neue Oxoferrate der schweren Alkalimetalle / A5Fe3O6] (A = Rb, Cs), Cs[FeO2] and Cs8[Fe2O7]: New Oxoferrates of the Heavy Alkaline Metals

2004 ◽  
Vol 59 (7) ◽  
pp. 771-781 ◽  
Author(s):  
Gero Frisch ◽  
Caroline Röhr
Keyword(s):  
Mixed Valence ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Alkaline Metals ◽  
Space Group ◽  
X Ray ◽  
Mixed Valence Compounds ◽  
The Ideal

The title compounds were synthesized at a temperature of 775 K via reaction of Fe2O3 with elemental cesium and rubidium alone or in combination with their hyperoxides AO2 where required by stoichiometry. The structures of the dark-red crystals have been determined by single crystal x-ray diffraction (Cs[FeO2]: cubic, space group Fd3m, a = 839.2(2) pm, Z = 8, R1 = 0.0547 and A5[Fe3O6] (A = Cs: orthorhombic, space group P212121, a = 861.8(2), b = 870.7(2), c = 1658.7(3) pm, Z = 4, R1 = 0.0617 and A = Rb: tetragonal, space group I4̅2d, a = 862.01(8), c= 1504.7(2) pm, Z =4, R1= 0.0334). These three compounds contain three-dimensional networks [FeO2], in the case of the ideal stuffed cristobalite composed of corner-sharing tetrahedra [FeO4/2], in the case of the new mixed valence compounds A5[Fe3O6] formed by corner-sharing of tetrahedra [FeIIIO4/2] and triangles [FeIIOO2/2] in a 1:2 ratio. The crystal structure of the cation rich compound Cs8[Fe2O7] (monoclinic, space group P21/c, a = 722.32(12), b = 1789.0(3), c = 733.88(12) pm, β =118.976(3)°, Z = 4, R1=0.0287) exhibits di-ferrate anions [Fe2O7]6− composed of two cornersharing [FeIIIO4] tetrahedra with a linear Fe-O-Fe bridge.

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