Random site occupancy induced disordered Néel-type collinear spin alignment in heterovalent Zn2+–Ti4+ ion substituted CoFe2O4

RSC Advances ◽  
2015 ◽  
Vol 5 (111) ◽  
pp. 91482-91492 ◽  
Author(s):  
S. M. Patange ◽  
S. S. Desai ◽  
S. S. Meena ◽  
S. M. Yusuf ◽  
Sagar E. Shirsath
Keyword(s):  
Crystal Structure ◽  
Site Occupancy ◽  
Spin Alignment ◽  
Random Site ◽  
Magneton Number

Crystal structure and spin arrangements of CoZnxTixFe2−2xO4 and its relation to magneton number with Zn2+–Ti4+ substitution.

Structural/Property Relationships for Optical Materials

1993 ◽  
Vol 329 ◽  
Author(s):  
Vivien D.
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Electronic Structure ◽  
Chemical Composition ◽  
Field Strength ◽  
Optical Materials ◽  
Site Occupancy ◽  
Laser Materials ◽  
Crystal Field Strength ◽  
The Matrix

AbstractIn this paper the relationships between the crystal structure, chemical composition and electronic structure of laser materials, and their optical properties are discussed. A brief description is given of the different laser activators and of the influence of the matrix on laser characteristics in terms of crystal field strength, symmetry, covalency and phonon frequencies. The last part of the paper lays emphasis on the means to optimize the matrix-activator properties such as control of the oxidation state and site occupancy of the activator and influence of its concentration.

A Crystallographic Study of Bis[S-benzyl-5-bromo-2-oxoindolin-3-ylidenemethanehydrazonthioate] Disulfide Solvated with Dimethylsulfoxide

2012 ◽  
Vol 9 (2) ◽  
pp. 87
Author(s):  
Mohd Abdul Fatah Abdul Manan ◽  
M. Ibrahim M. Tahir ◽  
Karen A. Crouse ◽  
Fiona N.-F. How ◽  
David J. Watkin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Solvent Molecule ◽  
Site Occupancy ◽  
Unit Cell Parameters ◽  
Intermolecular Hydrogen Bonds ◽  
Triclinic Space Group ◽  
Cell Parameters ◽  
Crystallographic Study ◽  
Thiol Form

The crystal structure of the title compound has been determined. The compound crystallized in the triclinic space group P -1, Z = 2, V = 1839 .42( 18) A3 and unit cell parameters a= 11. 0460( 6) A, b = 13 .3180(7) A, c=13. 7321 (8) A, a = 80.659(3 )0, b = 69 .800(3 )0 and g = 77 .007 (2)0 with one disordered dimethylsulfoxide solvent molecule with the sulfur and oxygen atoms are distributed over two sites; S101/S102 [site occupancy factors: 0.6035/0.3965] and 0130/0131 [site occupancy factor 0.3965/0.6035]. The C22-S2 l and C 19-S20 bond distances of 1. 779(7) A and 1. 788(8) A indicate that both of the molecules are connected by the disulfide bond [S20-S21 2.055(2) A] in its thiol form. The crystal structure reveals that both of the 5-bromoisatin moieties are trans with respect to the [S21-S20 and CI 9-Nl 8] and [S20-S21 and C22-N23] bonds whereas the benzyl group from the dithiocarbazate are in the cis configuration with respect to [S21-S20 and C19-S44] and [S20-S21 and C22-S36] bonds. The crystal structure is further stabilized by intermolecular hydrogen bonds of N9-H35···O16 formed between the two molecules and N28-H281 ···O130, N28-H281 ···O131 and C4 l-H4 l l ···O 131 with the solvent molecule.

scholarly journals β-Li0.37Na0.63Fe(MoO4)2

2014 ◽  
Vol 70 (2) ◽  
pp. i9-i10 ◽  
Author(s):  
Amira Souilem ◽  
Mohamed Faouzi Zid ◽  
Ahmed Driss
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Solid State Reaction ◽  
Title Compound ◽  
General Position ◽  
Site Occupancy ◽  
The Other ◽  
Main Structure ◽  
Axis Direction ◽  
A Site

The title compound, lithium/sodium iron(III) bis[orthomolybdate(VI)], was obtained by a solid-state reaction. The main structure units are an FeO6octahedron, a distorted MoO6octahedron and an MoO4tetrahedron sharing corners. The crystal structure is composed of infinite double MoFeO11chains along theb-axis direction linked by corner-sharing to MoO4tetrahedra so as to form Fe2Mo3O19ribbons. The cohesion between ribbonsviamixed Mo—O—Fe bridges leads to layers arranged parallel to thebcplane. Adjacent layers are linked by corners shared between MoO4tetrahedra of one layer and FeO6octahedra of the other layer. The Na+and Li+ions partially occupy the same general position, with a site-occupancy ratio of 0.631 (9):0.369 (1). A comparison is made withAFe(MoO4)2(A= Li, Na, K and Cs) structures.

scholarly journals Crystal structure of (2-{3-[4-(4′-cyanobiphenyl-4-yloxy)butoxy]pyridin-2-yl-κN}-5-(dodecyloxy)phenyl-κC1)(9-oxotetracos-7-en-7-olato-κ2O,O′)platinum(II)

2014 ◽  
Vol 70 (12) ◽  
pp. m392-m393
Author(s):  
Kaijun Luo ◽  
Hanlin Liu ◽  
Qing Guo ◽  
Daibing Luo
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Site Occupancy ◽  
Coordination Environment ◽  
Square Planar ◽  
C And N ◽  
Alkane Chain

The central PtIIatom in the title compound, [Pt(C40H47N2O3)(C24H45O2)], has a slightly distorted square-planar coordination environment. The dihedral angle between the plane formed by Pt and the chelating C and N atoms and that formed by Pt and the chelating O atoms is 2.1 (3)°. The angle between the planes of the two rings in the biphenyl-4-carbonitrile unit is 35.1 (5)°. One lateral alkane chain is disordered over two sets of sites with site occupancy factors in a 0.595 (7):0.405 (7) ratio.

Preferential site occupancy of Ni ions and oxidation state of Fe ions in the YIG crystal structure obtained by sol-gel method

2020 ◽  
Vol 849 ◽  
pp. 156657
Author(s):  
J.P. Caland ◽  
Cynthia P.C. Medrano ◽  
A. Caytuero ◽  
E. Baggio-Saitovitch ◽  
F.J. Litterst ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Oxidation State ◽  
Sol Gel ◽  
Site Occupancy ◽  
Gel Method ◽  
Sol Gel Method ◽  
Preferential Site ◽  
Fe Ions

scholarly journals Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)

2012 ◽  
Vol 68 (4) ◽  
pp. o1037-o1038 ◽  
Author(s):  
A. S. Dayananda ◽  
Ray J. Butcher ◽  
Mehmet Akkurt ◽  
H. S. Yathirajan ◽  
B. Narayana
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Solvent Molecule ◽  
Site Occupancy ◽  
Symmetry Element ◽  
Inversion Symmetry ◽  
Acid Molecule ◽  
Chloranilic Acid ◽  
Π Interactions ◽  
Benzene Rings

In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methylphenyl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis(2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate)–2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione–methanol–water (2/1/2/2)}, C19H24N22+·2C6HCl2O4−·0.5C6H2Cl2O4·CH3OH·H2O, the N atoms on both the pyrrolidine and pyridine groups are protonated. The neutral chloranilic acid molecule is on an inversion symmetry element and its hydroxy H atoms are disordered over two positions with site-occupancy factors of 0.53 (6) and 0.47 (6). The methanol solvent molecule is disordered over two positions in a 0.836 (4):0.164 (4) ratio. In the crystal, N—H...O, O—H...O and C—H...O interactions link the components. The crystal structure also features π–π interactions between the benzene rings [centroid–centroid distances = 3.5674 (15), 3.5225 (15) and 3.6347 (15) Å].

scholarly journals Crystal structure of bis(acetylacetonato-κ2O,O′)(tetrahydrofuran-κO)(trifluoromethanesulfonato-κO)iron(III)

2015 ◽  
Vol 71 (10) ◽  
pp. 1165-1168
Author(s):  
Casseday P. Richers ◽  
Jeffery A. Bertke ◽  
Thomas B. Rauchfuss
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Site Occupancy ◽  
Title Complex ◽  
Two Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Length Range ◽  
A Site

The mononuclear title complex, [Fe(CF3O3S)(C5H7O2)2(C4H8O)] or [Fe(acac)2(OTf)(THF)] (acac = acetylacetonate; OTf = trifluoromethanesulfonate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe3+atom in a slightly distorted octahedral environment [Fe—O bond-length range = 1.9517 (11)–2.0781 (11) Å]. The triflate ligand was found to be disordered over two sets of sites, with a site-occupancy ratio of 0.622 (16):0.378 (16). Weak intermolecular C—H...O and C—H...F hydrogen-bonding interactions generate a two-dimensional supramolecular structure lying parallel to (100). This is only the second crystal structure reported of a mononuclear bis(acetylacetonato)iron(III) complex.

scholarly journals Redetermination of the crystal structure of 3,5-dimethylpyrazolium β-octamolybdate tetrahydrate

2015 ◽  
Vol 71 (12) ◽  
pp. m244-m245 ◽  
Author(s):  
Tatiana R. Amarante ◽  
Isabel S. Gonçalves ◽  
Filipe A. Almeida Paz
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Three Dimensional ◽  
Site Occupancy ◽  
Temperature Data ◽  
Water Molecules ◽  
Compound C ◽  
Metal Atoms ◽  
Anisotropic Displacement Parameters ◽  
Difference Fourier

The title compound, (C5H9N2)4[Mo8O26]·4H2O, was reported previously from a room-temperature data collection from which only the metal atoms could be refined anisotropically [FitzRoyet al.(1989).Inorg. Chim. Acta,157, 187–194]. The current redetermination at 180 (2) K models all the non-H atoms with anisotropic displacement parameters and fully describes the supramolecular N—H...O and O—H...O hydrogen-bonded network connecting the 3,5-dimethylpyrazolium cations, the water molecules of crystallization and the β-octamolybdate anion. All H atoms involved in the three-dimensional hydrogen-bonding network could be located from difference Fourier maps, with the exception of those of one disordered water molecule, firstly seen in this structural report [refined over two distinct locations with site-occupancy factors of 0.65 (2) and 0.35 (2)]. The complete β-octamolybdate anion is generated by a crystallographic inversion centre.

7,11,15,28-Tetrakis(bromomethyl)-1,21,23,25-tetrapentylresorcin[4]arene cavitand 0.415-hydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4345-o4345 ◽  
Author(s):  
Michael G. McKay ◽  
Holger B. Friedrich ◽  
Glenn E. M. Maguire
Keyword(s):  
Crystal Structure ◽  
Functional Groups ◽  
Title Compound ◽  
Site Occupancy ◽  
Host Molecules

The title compound {systematic name: 7,11,15,28-tetrakis(bromomethyl)-1,21,23,25-tetrapentyl-2,20:3,19-dimetheno-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5′,4′-i′]benzo[1,2-d:5,4-d′]bis[1,3]benzodioxocine 0.415-hydrate}, C56H68Br4O8·0.415H2O, has been previously synthesized and reported; however, its crystal structure has hitherto not been elucidated. The structure is the first reported example of a resorcin[4]arene cavitand bearing bromomethyl functional groups at the rim of the molecule. The inclusion of Br atoms makes the compound useful as a precursor to a number of synthetically more complex cavitand host molecules.. This is also true of the pentyl `feet' of the title compound. Two pentyl groups are disordered over two positions; the site occupancy factors are ca. 0.68 and 0.32.

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