The structure of Ce2Al3Ge4 refined for the first time from single-crystal X-ray diffraction data

2021 ◽  
Vol 77 (2) ◽  
pp. 81-83
Author(s):  
Paul Tobash ◽  
Svilen Bobev
Keyword(s):  
Single Crystal ◽  
Three Dimensional ◽  
Eutectic Mixture ◽  
Structure Type ◽  
X Ray Diffraction ◽  
X Ray ◽  
High Temperature Reaction ◽  
Dimensional Network ◽  
Metal Flux ◽  
First Time

Single crystals of dicerium trialuminium tetragermanide, Ce2Al3Ge4, have been synthesized from a high-temperature reaction using an eutectic mixture of Al and Ge as a metal flux. Through single-crystal X-ray diffraction it was established that Ce2Al3Ge4 crystallizes in the centrosymmetric space group Cmce (No. 64) with the Ba2Cd3Bi4 structure type (Pearson code oC36). Five atoms compose the asymmetric unit, i.e. one Ce, two Al, and two Ge atoms, all in special positions with Wyckoff symbols 8f (Ce), 4a and 8e (Al), and 8e and 8f (Ge). The structure can be described as a three-dimensional network of Al and Ge atoms, with Ce atoms occupying the cavities of the framework.

scholarly journals Synthesis, crystal structure and charge-distribution validation of a new alluaudite-type phosphate, Na2.22Mn0.87In1.68(PO4)3

2020 ◽  
Vol 76 (8) ◽  
pp. 1369-1372
Author(s):  
Abdessalem Badri ◽  
Inmaculada Alvarez-Serrano ◽  
María Luisa López ◽  
Mongi Ben Amara
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Three Dimensional ◽  
Structure Type ◽  
X Ray Diffraction ◽  
Flux Method ◽  
X Ray ◽  
Coordination Numbers ◽  
Dimensional Network ◽  
Anionic Framework

Na2.22Mn0.87In1.68(PO4)3, sodium manganese indium tris(phosphate) (2.22/0.87/1.68), was obtained in the form of single crystals by a flux method and was structurally characterized by single-crystal X-ray diffraction. The compound belongs to the alluaudite structure type (space group C2/c) with general formula X(2)X(1)M(1)M(2)2(PO4)3. The X(2) and X(1) sites are partially occupied by sodium [occupancy 0.7676 (17) and 1/2] while the M(1) and M(2) sites are fully occupied within a mixed distribution of sodium/manganese(II) and manganese(II)/indium, respectively. The three-dimensional anionic framework is built up on the basis of M(2)2O10 dimers that share opposite edges with M(1)O6 octahedra, thus forming infinite chains extending parallel to [10\overline{1}]. The linkage between these chains is ensured by PO4 tetrahedra through common vertices. The three-dimensional network thus constructed delimits two types of hexagonal channels, resulting from the catenation of M(2)2O10 dimers, M(1)O6 octahedra and PO4 tetrahedra through edge- and corner-sharing. The channels are occupied by Na+ cations with coordination numbers of seven and eight.

Synthesis and structural characterization of two coordination polymers constructed by bis(4-(1H-imidazol-1-yl)phenyl)methanone and 5-(tert-butyl)isophthalate ligands

2019 ◽  
Vol 74 (3) ◽  
pp. 261-265 ◽  
Author(s):  
Gao-Feng Wang ◽  
Shu-Wen Sun ◽  
Wei-Bing Wang ◽  
Hong Sun ◽  
Shao-Fei Song
Keyword(s):  
Single Crystal ◽  
Coordination Polymers ◽  
Weak Interactions ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Elemental Analyses ◽  
Solvothermal Methods

AbstractTwo coordination polymers, {[Co(bipmo)(tbip)]·3H2O}n (1) and {[Cd(bipmo)(tbip)]·3H2O}n (2) (bipmo=bis(4-(1H-imidazol-1-yl)phenyl)methanone, H2tbip=5-tert-butylisophthalic acid), were synthesized by solvothermal methods and structurally characterized by elemental analyses, infrared spectroscopy, and single-crystal X-ray diffraction. The results from single-crystal X-ray diffraction data indicate that the solid state structures of 1 and 2 consist of metal-aromatic carboxylate layers, which are pillared by weak interactions to generate a three-dimensional network. The topological structures of 1 and 2 are uninodal nets based on 3-connected nodes with the Schläfli symbol of {63}.

Crystal Structure of the Pyridinium Salt of the Polymeric Tris(thiocyanato)dicuprate(I) Anion

1979 ◽  
Vol 32 (12) ◽  
pp. 2757 ◽  
Author(s):  
CL Raston ◽  
B Walter ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Single Crystal ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyridinium Salt ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network

The title compound, [C5H6N]+ [Cu2(SCN)3]-, has been prepared and its crystal structure determined by single-crystal X-ray diffraction at 295(1) K. Crystals are monoclinic, Cc, a 11.238(7), b 11.644(4), c 10.020(4)Ǻ, β 102.67(3)°, Z 4, the structure being refined to a residual of 0.037 for the 960 'observed' reflections. The structure comprises a three-dimensional network of copper(I) atoms linked by bridging thiocyanate groups, the pyridinium counterions occupying sites in the network cavities. Both copper atoms are four-coordinate, one having an environment of one nitrogen atom [Cu-N, 1.926(9)Ǻ] and three sulfur atoms [Cu-S, 2.319(3), 2.421(3), 2.448(3)Ǻ], while the other is coordinated by two atoms of each type [Cu-N, 1.935(9), 1.947(10); Cu-S, 2.430(3), 2.493(4) Ǻ].

scholarly journals Single Crystal X-Ray Structural Investigation of Alluaudite Related Monophosphate Na2FeMn2(PO4)3

2010 ◽  
Vol 12 (3,4) ◽  
pp. 213
Author(s):  
Nezha Dridi ◽  
El Hassan Arbib ◽  
El Hassan Karni ◽  
Francesco Capitelli ◽  
Brahim Elouadi
Keyword(s):  
Single Crystal ◽  
Cell Volume ◽  
Unit Cell Volume ◽  
Structural Investigation ◽  
Three Dimensional ◽  
Structural Type ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network

<p>The compound Na<sub>2</sub>FeMn<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> has been successfully isolated with the alluaudite structural type. Accurate single crystal X-Ray diffraction has allowed solving the structure with reliability factors of R<sub>1</sub> and Rw equal to 0.0322 and 0.0790 respectively. It was found that the symmetry is monoclinic with a space group of C2/c and lattice parameters: a = 12.180(2) Å, b = 12.660(2) Å, c = 6.500(2) Å, b = 114.528(3)(°), unit cell volume = 911.8(3) Å<sup>3</sup>, Z = 8 and d<sub>cal.</sub>=3.618 g.cm<sup>-3</sup>. Three-dimensional network is formed by the [MnO<sub>6</sub>] octahedra linked in pairs to form Mn-based octahedral dimers: ([Mn<sub>2</sub>O<sub>10</sub>]). Each dimer shares six vertices with six tetrahedra [P(2)O<sub>4</sub>] to form sheets within the plane (100). The latter are connected by tetrahedra [P(1)O<sub>4</sub>] delimiting cages and tunnels which house either Fe<sup>3+</sup> or Na<sup>+</sup> cations. Each [FeO<sub>6</sub>] octahedron is linked to two [Mn<sub>2</sub>O<sub>10</sub>] dimers belonging to two adjacent sheets to form mixed Fe-Mn chains of the type: - Fe<sup>3+</sup> - Mn<sup>2+</sup> - Mn<sup>2+</sup> - Fe<sup>3+</sup> - Mn<sup>2+</sup> - Mn<sup>2+</sup> - Fe<sup>3+</sup> - ..., running along the direction [101].<strong></strong></p>

DyP5O14

2007 ◽  
Vol 63 (3) ◽  
pp. i89-i91 ◽  
Author(s):  
Fathia Chehimi-Moumen ◽  
Mokhtar Férid
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Flux Method ◽  
X Ray ◽  
Atomic Arrangement ◽  
Twofold Axis ◽  
Dimensional Network

Single-crystal X-ray diffraction analysis has been performed on dysprosium ultraphosphate, DyP5O14, prepared by the flux method. The atomic arrangement is built up of layers of independent P8O24 rings perpendicular to the b axis interconnected by PO4 groups to form a three-dimensional network of PO4 tetrahedra. Two sites are located on the twofold axis for the Dy atoms, which have almost regular dodecahedral coordination.

scholarly journals Redetermination of the crystal structure of R 5Si4 (R = Pr, Nd) from single-crystal X-ray diffraction data

2020 ◽  
Vol 76 (4) ◽  
pp. 510-513
Author(s):  
Kaori Yokota ◽  
Ryuta Watanuki ◽  
Miki Nakashima ◽  
Masatomo Uehara ◽  
Jun Gouchi ◽  
...  
Keyword(s):  
Single Crystal ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Atomic Displacement ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Acta Cryst ◽  
X Ray ◽  
Atomic Displacement Parameters ◽  
First Time

The crystal structures of praseodymium silicide (5/4), Pr5Si4, and neodymium silicide (5/4), Nd5Si4, were redetermined using high-quality single-crystal X-ray diffraction data. The previous structure reports of Pr5Si4 were only based on powder X-ray diffraction data [Smith et al. (1967). Acta Cryst. 22 940–943; Yang et al. (2002b). J. Alloys Compd. 339, 189–194; Yang et al., (2003). J. Alloys Compd. 263, 146–153]. On the other hand, the structure of Nd5Si4 has been determined from powder data [neutron; Cadogan et al., (2002). J. Phys. Condens. Matter, 14, 7191–7200] and X-ray [Smith et al. (1967). Acta Cryst. 22 940–943; Yang et al. (2002b). J. Alloys Compd. 339, 189–194; Yang et al., (2003). J. Alloys Compd. 263, 146–153] and single-crystal data with isotropic atomic displacement parameters [Roger et al., (2006). J. Alloys Compd. 415, 73–84]. In addition, the anisotropic atomic displacement parameters for all atomic sites have been determined for the first time. These compounds are confirmed to have the tetragonal Zr5Si4-type structure (space group: P41212), as reported previously (Smith et al., 1967). The structure is built up by distorted body-centered cubes consisting of Pr(Nd) atoms, which are linked to each other by edge-sharing to form a three-dimensional framework. This framework delimits zigzag channels in which the silicon dimers are situated.

scholarly journals NewM+,M3+-arsenates – the framework structures of AgM3+(HAsO4)2(M3+= Al, Ga) andM+GaAs2O7(M+= Na, Ag)

2017 ◽  
Vol 73 (5) ◽  
pp. 785-790 ◽  
Author(s):  
Karolina Schwendtner ◽  
Uwe Kolitsch
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystal ◽  
Diffraction Data ◽  
Room Temperature ◽  
Three Dimensional ◽  
Structure Type ◽  
X Ray Diffraction ◽  
X Ray ◽  
Donor Acceptor ◽  
Anionic Framework

The crystal structures of hydrothermally synthesized silver(I) aluminium bis[hydrogen arsenate(V)], AgAl(HAsO4)2, silver(I) gallium bis[hydrogen arsenate(V)], AgGa(HAsO4)2, silver gallium diarsenate(V), AgGaAs2O7, and sodium gallium diarsenate(V), NaGaAs2O7, were determined from single-crystal X-ray diffraction data collected at room temperature. The first two compounds are representatives of the MCV-3 structure type known for KSc(HAsO4)2, which is characterized by a three-dimensional anionic framework of corner-sharing alternatingM3+O6octahedra (M= Al, Ga) and singly protonated AsO4tetrahedra. Intersecting channels parallel to [101] and [110] host the Ag+cations, which are positionally disordered in the Ga compound, but not in the Al compound. The hydrogen bonds are relatively strong, with O...O donor–acceptor distances of 2.6262 (17) and 2.6240 (19) Å for the Al and Ga compounds, respectively. The two diarsenate compounds are representatives of the NaAlAs2O7structure type, characterized by an anionic framework topology built ofM3+O6octahedra (M= Al, Ga) sharing corners with diarsenate groups, andM+cations (M= Ag) hosted in the voids of the framework. Both structures are characterized by a staggered conformation of the As2O7groups.

scholarly journals Crystal structure of 4-[(adamantan-1-yl)amino]naphthalene-1,2-dione

2019 ◽  
Vol 75 (1) ◽  
pp. 99-102
Author(s):  
Guy Lamoureux ◽  
Mónica Alvarado-Rojas ◽  
Leslie W. Pineda
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Carbonyl Group ◽  
Title Compound ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Compound C ◽  
Dimensional Network

The title compound, C20H21NO2, an example of a stable 1,2-naphthoquinone, was determined by single-crystal X-ray diffraction analysis at 100 K. This structure illustrates steric buttressing of the adamantanyl group, forcing the N—H group into the coplanar aromatic C—H. The presence of strong delocalization between the planar N atom at the 4-position and the carbonyl group at the 2-position is indicated. In the crystal, C—H...O and C—H...π interactions link the molecules into a three-dimensional network.

scholarly journals An investigation of polyhedral deformation in two mixed-metal diarsenates: SrZnAs2O7and BaCuAs2O7

2015 ◽  
Vol 71 (4) ◽  
pp. 330-337 ◽  
Author(s):  
Sabina Kovač ◽  
Ljiljana Karanović ◽  
Tamara Đorđević
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
General Formula ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Hydrothermal Conditions ◽  
X Ray ◽  
Open Framework ◽  
Geometrical Characteristics ◽  
Barium Copper

Two isostructural diarsenates, SrZnAs2O7(strontium zinc diarsenate), (I), and BaCuAs2O7[barium copper(II) diarsenate], (II), have been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction. The three-dimensional open-framework crystal structure consists of corner-sharingM2O5(M2 = Zn or Cu) square pyramids and diarsenate (As2O7) groups. Each As2O7group shares its five corners with five differentM2O5square pyramids. The resulting framework delimits two types of tunnels aligned parallel to the [010] and [100] directions where the large divalent nine-coordinatedM1 (M1 = Sr or Ba) cations are located. The geometrical characteristics of theM1O9,M2O5and As2O7groups of known isostructural diarsenates, adopting the general formulaM1IIM2IIAs2O7(M1II= Sr, Ba, Pb;M2II= Mg, Co, Cu, Zn) and crystallizing in the space groupP21/n, are presented and discussed.

Die Kristallstrukturen der isotypen Verbindungen Ba3[MoN4] und Ba3[WN4] / The Crystal Structures of the Isotypic Compounds Ba3[MoN4] and Ba3[WN4]

1991 ◽  
Vol 46 (5) ◽  
pp. 566-572 ◽  
Author(s):  
Axel Gudat ◽  
Peter Höhn ◽  
Rüdiger Kniep ◽  
Albrecht Rabenau
Keyword(s):  
Transition Metals ◽  
Single Crystal ◽  
Crystal Structures ◽  
Structure Type ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ternary Compounds ◽  
The Third

The isotypic ternary compounds Ba3[MoN4] and Ba3[WN4] were prepared by reaction of the transition metals with barium (Ba3N2, resp.) under nitrogen. The crystal structures were determined by single crystal X-ray diffraction: Ba3[MoN4] (Ba3[WN4]): Pbca; Z = 8; a = 1083.9(3) pm (1091.8(3) pm), b = 1030.3(3) pm (1037.5(3) pm), c = 1202.9(3) pm (1209.2(4) pm). The structures contain isolated tetrahedral anions [MN4]6- (M = Mo, W) which are arranged in form of slightly distorted hexagonal layers and which are stacked along [010] with the sequence (···AB···). Two of the three Ba atoms are situated between, the third one is placed within the layers of [MN4]-groups. In this way the structures can be derived from the Na3As structure type.

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