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.

Single Crystal Structure of the Divalent Europium Chloroapatite Eu5(PO4)3Cl

2009 ◽  
Vol 64 (5) ◽  
pp. 577-580 ◽  
Author(s):  
Hamdi Ben Yahia ◽  
Ute Ch. Rodewald ◽  
Rainer Pöttgen
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Chloride Ions ◽  
Salt Flux ◽  
Reaction Route ◽  
X Ray ◽  
Divalent Europium ◽  
Solid State Reaction Route ◽  
Apatite Type ◽  
The Eu

The chloroapatite Eu5(PO4)3Cl 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: apatite type, P63/m, a = 988.36(4), c = 720.32(3) pm, Z = 2, R(F) = 0.021 and wR(F2) = 0.063 for 748 unique reflections and 40 variables. The Eu5(PO4)3Cl structure contains isolated (PO4)3− tetrahedra and two crystallographically independent divalent europium sites. The Eu12+ ion at the 4 f position is located in a distorted tri-capped trigonal prism whereas the Eu22+ ion at the 6h position is located in a strongly distorted square anti-prism. The chloride ions have octahedral europium coordination (307 pm Eu-Cl).

scholarly journals `Pd20Sn13' revisited: crystal structure of Pd6.69Sn4.31

2015 ◽  
Vol 71 (7) ◽  
pp. 807-809 ◽  
Author(s):  
Wilhelm Klein ◽  
Hanpeng Jin ◽  
Viktor Hlukhyy ◽  
Thomas F. Fässler
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Original Structure ◽  
Site Symmetry ◽  
Structure Model ◽  
Reaction Route ◽  
X Ray ◽  
Anisotropic Displacement Parameters ◽  
Solid State Reaction Route ◽  
Atomic Coordinates

The crystal structure of the title compound was previously reported with composition `Pd20Sn13' [Sarahet al.(1981).Z. Metallkd,72, 517–520]. For the original structure model, as determined from powder X-ray data, atomic coordinates from the isostructural compound Ni13Ga3Ge6were transferred. The present structure determination, resulting in a composition Pd6.69Sn4.31, is based on single crystal X-ray data and includes anisotropic displacement parameters for all atoms as well as standard uncertainties for the atomic coordinates, leading to higher precision and accuracy for the structure model. Single crystals of the title compound were obtainedviaa solid-state reaction route, starting from the elements. The crystal structure can be derived from the AlB2type of structure after removing one eighth of the atoms at the boron positions and shifting adjacent atoms in the same layer in the direction of the voids. One atomic site is partially occupied by both elements with a Pd:Sn ratio of 0.38 (3):0.62 (3). One Sn and three Pd atoms are located on special positions with site symmetry 2. (Wyckoff letter 3aand 3b).

Crystal Structure of the New Phosphate AgMnPO4

2009 ◽  
Vol 64 (7) ◽  
pp. 875-878 ◽  
Author(s):  
Hamdi Ben Yahia ◽  
Etienne Gaudin ◽  
Jacques Darriet
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Reaction Route ◽  
X Ray ◽  
Solid State Reaction Route ◽  
Symmetry Space ◽  
Symmetry Space Group ◽  
Silver Atoms

The new compound AgMnPO4 has been synthesized by a solid-state reaction route. Its crystal structure was determined from single-crystal X-ray diffraction data. AgMnPO4 crystallizes with triclinic symmetry, space group P1̄, a = 9.6710(6), b = 5.695(2), c = 6.629(3) Å , α = 102.55(3), β = 105.85(2), γ = 80.70(2)◦, and Z = 4. Its structure is built up from MnO6, MnO5 and PO4 polyhedra forming tunnels filled with silver atoms.

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.

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.

Influence of Ta substitution for Nb in Zn3Nb2O8 and the impact on the crystal structure and microwave dielectric properties

2016 ◽  
Vol 45 (29) ◽  
pp. 11807-11816 ◽  
Author(s):  
Yonggui Zhao ◽  
Ping Zhang
Keyword(s):  
Crystal Structure ◽  
Dielectric Properties ◽  
Solid State ◽  
Solid State Reaction ◽  
Structural Characteristics ◽  
Microwave Dielectric Properties ◽  
Reaction Route ◽  
Microwave Dielectric ◽  
Solid State Reaction Route ◽  
The Impact

Zn3(Nb1−xTax)2O8 (x = 0.02–0.10) ceramics were prepared via a solid-state reaction route and the dependence of their microwave dielectric properties on their structural characteristics were investigated.

scholarly journals Single-crystal Structure and Solid-state NMR of Ga2–xScxO3 (x = 0.83)

2011 ◽  
Vol 66 (1) ◽  
pp. 14-20
Author(s):  
Hamdi Ben Yahia ◽  
Leo van Wüllen ◽  
Sarkarainadar Balamurugan ◽  
Ute Ch. Rodewald ◽  
Hellmut Eckert ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Crystal Growth ◽  
Solid State ◽  
Single Crystal ◽  
Solid State Nmr ◽  
Nmr Spectra ◽  
Three Dimensional ◽  
Crystal Data ◽  
X Ray ◽  
Nmr Data

Colorless needles of Ga2−xScxO3 (x = 0.83) were isolated during the crystal growth of La3Ga3Sc2O12 in a K2WO4 flux. The structure was refined from X-ray single-crystal data: β -Ga2O3 type,C2/m, Z = 4, a = 12.716(4), b = 3.1566(6), c = 5.928(5) Å , β = 102.57(3)◦,V = 232.2 Å3, wR2 = 0.0618, 429 F2 values, 32 variables. The structure is based on infinite double chains of edge-sharing Sc/GaO6 octahedra running along the b axis. The GaO4 tetrahedra connect these chains by sharing corners and form a three-dimensional framework. The oxygen atoms form a distorted ccp pattern. The 45Sc NMR spectra confirm the presence of a single scandium site, while 71Ga NMR data clearly prove the partial occupancy of the scandium site by gallium atoms. The nuclear electric quadrupolar parameters of 45Sc and 71Ga are discussed in relation to the crystallographic atomic environments

Dielectric Behavior of (1-X)BaTiO3-XCaCu2.94Mn0.06Ti4O12 Composite Ceramics

2008 ◽  
Vol 368-372 ◽  
pp. 62-64 ◽  
Author(s):  
Gang Yang ◽  
Zhen Xing Yue ◽  
Xiang Li ◽  
Tian Wang ◽  
Long Tu Li
Keyword(s):  
Solid State ◽  
Dielectric Loss ◽  
Dielectric Permittivity ◽  
Solid State Reaction ◽  
Dielectric Behavior ◽  
Composite Ceramics ◽  
X Ray Diffraction ◽  
Reaction Route ◽  
X Ray ◽  
Solid State Reaction Route

(1-X)BaTiO3-XCaCu2.94Mn0.06Ti4O12 (BTO-CCMTO) composite ceramics with X =0.1 and 0.2 were prepared through solid state reaction route. X-ray diffraction (XRD) analyses showed that a co-existence structure of BTO and CCMTO phase can be realized when the sample was sintered at 950°C. Furthermore, influences of CCMTO on the dielectric behaviors of the BTO-CCMTO composite ceramics were investigated. The results showed that the dielectric permittivity of the BTO-CCMTO composite ceramics increases with increasing amounts of CCMTO and the Curie peak of the pure BTO ceramics is greatly suppressed due to the addition of CCMTO. The dielectric loss of the BTO-CCMTO composite ceramics can be kept in the same magnitude order as that of the BTO ceramics.

scholarly journals Crystal structure of a new tripotassium hexanickel iron hexaphosphate

2019 ◽  
Vol 75 (3) ◽  
pp. 402-404 ◽  
Author(s):  
Said Ouaatta ◽  
Abderrazzak Assani ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Solid State Reaction ◽  
Three Dimensional ◽  
Iron Phosphate ◽  
X Ray Diffraction ◽  
Coordination Polyhedra ◽  
X Ray ◽  
Nickel Iron ◽  
Eds Analysis

A new potassium-nickel iron phosphate, K3Ni6Fe(PO4)6, has been synthesized by solid-state reaction and structurally characterized by single-crystal X-ray diffraction and qualitative energy dispersive X-ray spectroscopy (EDS) analysis. The structure is built up by [FeO6], [PO4], and [NiO6] coordination polyhedra, which are linked to each other by edge and corner sharing to form zigzag layers parallel to the ab plane. These layers are interconnected by [PO4] tetrahedra and [NiO6] octahedra via common corners, leading to a three-dimensional framework delimiting large channels running along the [100] direction in which the K+ cations are localized.

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