Interpenetrierende Clusterstränge in der Kristallstruktur von K0,77Nb6Cl15 / Interpenetrating Cluster Chains in the Structure of K0.77Nb6Cl15

2001 ◽  
Vol 56 (11) ◽  
pp. 1238-1240 ◽  
Author(s):  
Andreas Nägele ◽  
Cynthia Day ◽  
Abdessadek Lachgar ◽  
H.-Jürgen Meyer
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Solid State Reaction ◽  
Three Dimensional ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
A Value ◽  
Dimensional Network ◽  
Ray Methods

The solid state reaction of KCl, NbCl5 and Nb powder at 760 °C yielded black crystals of KNb6Cl15. The structure of the compound has been determined using single-crystal X-ray methods. KNb6Cl15 crystallizes in the orthorhombic space group Pmma (no. 51) with lattice constants a = 1780.1(2), b = 1341.4(1), and c = 925.5(1) pm, Z = 4, and R1 = 0.039 for all 2727 observed reflections.[(Nb6Cl12i)Cl6/2a-a]- anions in the structure are linked via two Cla-a bridges to form one set of linear and one set of kinked chains along the crystallographic c and a directions. Four remaining Cla-a bridges interconnect both sets of chains to a three-dimensional network. The potassium occupancy on a 4k site was refined to a value of 0.384(3) consistent with the formula K0.77Nb6Cl15-. Ternäre Niobchloride des Formeltyps ANb6Cl15 wurden bereits verschiedentlich beschrieben. Verbindungen mit A = Li [1] und Na [2] kristallisieren kubisch (Ia3̅d) mit identischen Schweratomstrukturen. Die Alkalimetall-Ionen Li (KZ = 4) und Na (KZ = 6 ) besetzen in den Strukturen ANb6Cl15 aber unterschiedliche Splitlagen und sind dynamisch fehlgeordnet. Die Vertreter mit A = In und TI [3] kristallisieren orthorhombisch (Pmma). Ihre Kationen befinden sich in zweifach überdachten, würfelförmigen Cl-Umgebungen (KZ = 10). Die Kenntnis des Formeltyps ANb6Cl15 mit schweren Alkalimetallen ist noch unvollständig. Einkristallstrukturuntersuchungen für A = Rb, Cs ergaben Kationenfehlordnungen [4, 5]. Für die Verbindung KNb6Cl15 wurde eine Einkristallstrukturbestimmung durchgeführt (Tab. 1). Die Verbindung kristallisiert orthorhombisch in der Raumgruppe Pmma (Nr. 51) mit den Gitterkonstanten a = 1780,1(2), b = 1341,4(1) und c = 925,5(1) pm mit Z = 4 und ist isotyp zu den Inund TI-Verbindungen. Die Besetzung der K-Position (4k-Lage, mx-Punktsymmetrie) wurde zu 0,384(3) verfeinert, was der Zusammensetzung K0.77Nb6Cl15 entspricht (Tab. 2)#. Die Nb-Nb-Abstände in KNb6Cl15 liegen zwischen 291,47(6) und 296,45(7) pm, die Bindungslängen Nb-ClI betragen 243,3(1) - 247,18(9) und die Nb-Cla-Abstände 258,7(2) - 271,40(9) pm.

Synthesis and Crystal Structure of K6Mo10O33

2007 ◽  
Vol 62 (1) ◽  
pp. 1-4 ◽  
Author(s):  
Nachiappan Arumugam ◽  
Eva-Maria Peters ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystal ◽  
Molybdenum Oxide ◽  
Solid State Reaction ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants

A new potassium molybdenum oxide, K6Mo10O33, was synthesized by solid state reaction from the appropriate quantities of pre-dried MoO3 and K2MoO4, fired at around 650 °C for 2 d. The structure has been solved by using single crystal X-ray diffraction. The compound adopts the space group P1, with the lattice constants a = 7.7100(5), b = 11.9659(8), c = 17.1321(12) A° , α = 86.42 (10), β = 77.18(10), γ = 74.14(10)°. The structure is built up of infinite chains of edge-sharing MoO6 octahedra and groups of four MoO6 octahedra forming Mo4O17 units. These sub-units are connected together by common vertices.

scholarly journals Crystal Structure of the Arsenate(V) NaTi2[AsO4]3

2010 ◽  
Vol 65 (5) ◽  
pp. 639-642 ◽  
Author(s):  
Hamdi Ben Yahia ◽  
Ute Ch. Rodewald ◽  
Rainer Pöttgen
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystal ◽  
Solid State Reaction ◽  
Three Dimensional ◽  
Salt Flux ◽  
Reaction Route ◽  
X Ray ◽  
Anisotropic Displacement Parameters ◽  
Solid State Reaction Route

The arsenate(V) NaTi2[AsO4]3 has been synthesized by a solid-state reaction route using a salt flux. Its structure has been solved and refined from single-crystal X-ray data: NASICON- type, R3̄c, a = 8.8057(5), c = 22.2406(15) Å, Z = 6, wR(F2) = 0.0617 for 576 unique reflections and 30 variables. The NaTi2[AsO4]3 structure consists of a three-dimensional framework of corner-sharing AsO4 tetrahedra and TiO6 octahedra. The negatively charged [Ti2As3O12] framework gives rise to two different interstices. The Na+ cation is located on the 6b position with a trigonal antiprismatic coordination and enhanced anisotropic displacement parameters.

Notizen: Die Kristallstruktur von Rb2Ca(N3)4 · 4 H2O / The Crystal Structure of RB2Ca(N3)4 · 4 H2O

1988 ◽  
Vol 43 (4) ◽  
pp. 497-498
Author(s):  
Franz A. Mautner ◽  
Harald Krischner ◽  
Christoph Kratky
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Ray Methods

Abstract The crystal structure of Rb2Ca(N3)4 · 4H2O has been determined by single crystal X-ray methods. The compound is isotypic with K2Ca(N3)4 · 4 H2O and crystallizes in the orthorhombic space group Ccca, Z = 4, a = 1949.1(12) pm, b = 1099.5(3) pm, c - 622.2(1) pm.

scholarly journals MgNi2P - das erste ternäre Phosphid mit geordneter Fe3C-Struktur / MgNi2P - The First Ternary Phosphide with an Ordered Fe3C Type Structure

1994 ◽  
Vol 49 (8) ◽  
pp. 1071-1073 ◽  
Author(s):  
Viktor Keimes ◽  
Albrecht Mewis
Keyword(s):  
Single Crystal ◽  
Three Dimensional ◽  
Type Structure ◽  
X Ray ◽  
Ray Methods

MgNi2P was prepared by heating a mixture of the elements and investigated by means of single crystal X-ray methods. The compound crystallizes in an ordered Fe3C-type structure (Pnma; a = 6.477(1) Å, b = 6.364(1) Å, c = 5.001(1) Å; Z = 4). Ni and P atoms are linked together to a three-dimensional framework with octogonal tubes running along [010], which are occupied by Mg atoms in the form of stretched zigzag chains.

scholarly journals Ba2ZnGe2S6O: Ein neues Oxidsulfid mit Tetraedergerüststruktur/On Ba2ZnGe2S6O. A New Oxide Sulfide with Tetrahedral Framework Structure

1980 ◽  
Vol 35 (6) ◽  
pp. 672-675 ◽  
Author(s):  
Chr. L. Teske
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Coordination Sphere ◽  
Framework Structure ◽  
Tetrahedral Framework ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
First Time ◽  
Ray Methods

Abstract Ba2ZnGe2S6O was prepared for the first time and the crystal structure determined by using single crystal X-ray methods. The space group is D32d-P4̄21m, tetragonal (No. 113). Lattice constants: a = 963.59 ± 0.22; c = 645.06 ± 0.25 pm. The tetrahedral framework structure is described and discussed. Zn is linked only to sulfur. The oxygen belongs to the coordination sphere of Ge and Ba.

Zur Kenntnis von Ba2Fe22+ Fe93+Al11O34 / About Ba2Fe22+ Fe93+Al11O34

1978 ◽  
Vol 33 (2) ◽  
pp. 146-148 ◽  
Author(s):  
Hk. Müller-Buschbaum ◽  
M. Harder
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystals ◽  
Solid State Reaction ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Data Space ◽  
Group D ◽  
O 11

Single crystals of the compound Ba2Fe11Al11O34 were prepared by solid state reaction (1700 °C) of BaO-Fe2O3-Al2O3 mixtures. The crystal structure was investigated by X-ray data (space group D46h-P63/mmc, lattice constants: a = 565.3, c = 2281.0 pm). Ba2Fe11Al11O34 is isotypic with Na2O · 11 Al2O3, the structure of β-alumina

Single Crystal Formation by Solid-State Reaction Between p-Benzoquinone and 2,4,5-Trichlorophenol

2002 ◽  
Vol 55 (4) ◽  
pp. 271 ◽  
Author(s):  
N. B. Singh ◽  
A. Pathak ◽  
R. Fröhlich
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Single Crystal ◽  
Single Crystals ◽  
Solid State Reaction ◽  
Carbonyl Oxygen ◽  
Crystal Formation ◽  
X Ray Diffraction ◽  
X Ray

Vapours of p-benzoquinone (BQ) have been found to react with solid 2,4,5-trichlorophenol (TCP). The reaction product (BQ-TCP) separated in the form of monoclinic single crystals, the structure of which was determined by X-ray diffraction to reveal that the two molecules are linked by a single hydrogen bond between the carbonyl oxygen of BQ and the phenolic hydrogen of TCP.

scholarly journals RbCa2Nb3O10from X-ray powder data

2009 ◽  
Vol 65 (6) ◽  
pp. i44-i44 ◽  
Author(s):  
Zhen-Hua Liang ◽  
Kai-Bin Tang ◽  
Qian-Wang Chen ◽  
Hua-Gui Zheng
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Perovskite Structure ◽  
Three Dimensional ◽  
Rietveld Analysis ◽  
Powder Diffraction Data ◽  
X Ray

Rubidium dicalcium triniobate(V), RbCa2Nb3O10, has been synthesized by solid-state reaction and its crystal structure refined from X-ray powder diffraction data using Rietveld analysis. The compound is a three-layer perovskite Dion–Jacobson phase with the perovskite-like slabs derived by termination of the three-dimensional CaNbO3perovskite structure along theabplane. The rubidium ions (4/mmmsymmetry) are located in the interstitial space.

The Hexagonal Laves Phase MgIr2

2004 ◽  
Vol 59 (8) ◽  
pp. 943-946 ◽  
Author(s):  
Viktor Hlukhyy ◽  
Rainer Pöttgen
Keyword(s):  
Single Crystal ◽  
Coordination Number ◽  
Crystal Chemistry ◽  
Induction Furnace ◽  
Three Dimensional ◽  
Laves Phase ◽  
The Other ◽  
Variable Parameters ◽  
X Ray ◽  
Dimensional Network

AbstractThe hexagonal Laves phase MgIr2 was synthesized from the elements in a sealed tantalum tube in an induction furnace. MgIr2 was investigated by powder and single crystal X-ray data: P63/mmc, a = 516.9(1), c = 838.5(2) pm, wR2 = 0.0771, 135 F2 values, and 11 variable parameters. The magnesium atoms have coordination number (CN) 16 (12 Ir + 4 Mg), while the smaller iridium atoms, Ir1 and Ir2, both have CN 12 (6 Ir + 6 Mg). The Ir-Ir distances within the three-dimensional network of face- and corner-sharing Ir4/2 tetrahedra range from 250 to 267 pm. The magnesium atoms have one shorter (306 pm) and three longer (319 pm) magnesium contacts. The crystal chemistry of MgIr2 is briefly discussed and compared with the other binary Mg-Ir intermetallics.

Synthese, Kristallstruktur und Eigenschaften von 1,1,3,3,3-Pentaamino-1-oxo- 1λ5 ,3λ5-diphosphaz-2-en, (NH2)2(O)P-N=P(NH2)3 / Synthesis, Crystal Structure, and Properties of 1,1,3,3,3-Pentaamino-1-oxo-1λ5, 3λ5-diphosphaz-2-ene, (NH2)2(O)P-N=P(NH2)3

1996 ◽  
Vol 51 (8) ◽  
pp. 1079-1083 ◽  
Author(s):  
N. Stock ◽  
W. Schnick
Keyword(s):  
Crystal Structure ◽  
Thermal Properties ◽  
Room Temperature ◽  
Three Dimensional ◽  
Intermolecular Hydrogen Bonding ◽  
Structure And Properties ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Ray Methods

Coarse crystalline (NH2)2(O)P-N=P(NH2)3 is obtained from a NH3 saturated CH2Cl2 suspension of (NH2)2(O)P-N=P(NH2)3 NH4Cl at room temperature. (NH2)2(O)P-N=P(NH2)3·NH4Cl is synthesized by slow addition of Cl2(O)P-N=PCl3 to a solution of NH3 in CH2Cl2 at -78 °C. Excess NH4Cl is removed by treatment with HNEt2 followed by extraction with CH2Cl2. The crystal structure of (NH2)2(O)P-N=P(NH2)3 has been determined by single crystal X-ray methods (P21/c; a = 1462.8(3), b = 944.8(2), c = 1026.9(2) pm, β = 110.69(3)°; Z = 8). In the unit cell there are two crystallographically unique molecules. They form a three dimensional network by intermolecular hydrogen bonding interactions (N-H···N ≥ 313 pm. N-H···O ≥ 293 pm). The investigation of the thermal properties shows decomposition with evolution of NH3 above 80 °C.

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