New Structure Model for Lithium Nickel Batteries

2000 ◽  
Vol 623 ◽  
Author(s):  
M.A. Monge ◽  
E. Gutiérrez-Puebla ◽  
I. Rasines ◽  
J.A. Campa
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structural Type ◽  
Close Packing ◽  
The Other ◽  
Structure Model ◽  
Magnetization Measurements ◽  
Mixed Layers

AbstractAfter growing black colored single crystals of LixNi1−xO (x = 0.27) and solving its crystal structure, a model is proposed as an alternative to the structural type admitted for LixNi1−xO. The new rhombohedral cell consists of a cubic close packing of oxygens in which the alternation of two kind of mixed layers containing Li and Ni in different ratios can be detected along the c direction. This model implies a Li order incompatible with the alternation of Ni layers, one of them pure and the other containing some Li. The results of magnetization measurements look consistent with the new structural type, and reveal that LixNi1−xO behaves as mictomagnetic.

scholarly journals Redetermination of the crystal structure of ThI4

IUCrData ◽  
2018 ◽  
Vol 3 (2) ◽  
Author(s):  
H. Lars Deubner ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Coordination Number ◽  
Coordination Polyhedron ◽  
Lattice Parameters ◽  
Structure Model ◽  
Reliability Factor ◽  
Thorium Dioxide

Single crystals of ThI4, thorium(IV) tetraiodide, were grown from thorium dioxide and aluminium triiodide. In comparison with the structure model reported previously for this compound [Zalkinet al.(1964).Inorg. Chem.3, 639–644], we have determined the lattice parameters and fractional coordinates to a much higher precision, also leading to a better reliability factor (R= 0.029versus0.09). The coordination number of the ThIVatom is eight. Its coordination polyhedron has the shape of an irregular square antiprism. The I atoms each bridge two ThIVatoms, resulting in the formation of infinite layers parallel to (-101) that can be described with the Niggli formula2∞[ThI6/2I2/2].

Die Kristallstruktur des Lithium-Benzamidinats {Li3[C6H5 - C(NSiMe3)2]3 · NC - C6H5} / The Crystal Structure of the Lithium Phenylamidinate {Li3[C6H5 - C(NSiMe3)2]3 · NC - C6H5}

1994 ◽  
Vol 49 (10) ◽  
pp. 1444-1447 ◽  
Author(s):  
Helmut Goesmann ◽  
Dieter Fenske
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Single Crystals ◽  
Title Compound ◽  
The Other ◽  
Space Group ◽  
Structure Solution

AbstractSingle crystals of the title compound have been prepared by the reaction of benzonitrile with LiN-(SiMe3)2 in hexane and subsequent evaporation of the solvent. Space group P21/n, Z = 4, structure solution with 7945 observed unique reflections. R = 0.052. Lattice dimensions at -70 °C: a = 1485.2(9); b = 2486.9(11); c = 1568.9(8) pm; β = 91.06(4)°. The compound forms a trimeric ion ensemble in which two of the lithium cations are coordinated by three nitrogen atoms of two phenylamidinate an ions, the other one by four nitrogen atoms of two chelating phenylaminidate anions and in addition by the nitrogen atom of a benzonitrile molecule.

Ca10V5.2Fe0.8O24, a Novel Oxometalate with Discrete Complex Anions

2003 ◽  
Vol 58 (11) ◽  
pp. 1112-1116 ◽  
Author(s):  
Kurt O. Kleppa ◽  
Norbert A. Harringer ◽  
Hubert Preßlinger
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Bond Distance ◽  
Structure Type ◽  
The Other ◽  
Nominal Composition ◽  
Average Bond ◽  
Complex Anions ◽  
Trigonal Prismatic ◽  
Discrete Complex

Abstract Lustrous needle shaped prismatic single crystals of the new compound Ca10V5.2Fe0.8O24 were obtained out of a sample with nominal composition Ca2Fe1.6V0.4O5 prepared at 1400 °C. The crystals are opaque and stable to humid air. Ca10V5.2Fe0.8O24 crystallizes with a new structure type, space group Pnma with a = 6.803(3), b = 16.015(8), c = 10.418(7)Å , Z = 2, R = 0.041. The crystal structure is characterized by two mononuclear tetrahedral species, MO4, which differ significantly from each other with respect to their M-O bond lengths. One with an average bond distance of 1.709(8)Å represents an orthovanadate ion. The other with a significantly larger value d(M-O) = 1.744(6) Å corresponds to a mixed occupation of its centre according to [V0.8Fe0.2O4]3.5−. In the crystal structure the complex anions are arranged in separate sheets parallel to the (010) plane. They are separated from each other by three crystallographically independent Ca2+ ions which are each coordinated by 7 oxygen atoms in distorted pentagonal bipyramidal and trigonal prismatic configurations, respectively.

scholarly journals Crystal structure of TiBi2

2016 ◽  
Vol 72 (9) ◽  
pp. 1254-1256 ◽  
Author(s):  
Kei Watanabe ◽  
Hisanori Yamane
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Title Compound ◽  
The Other ◽  
Slow Cooling ◽  
Axis Direction

Black granular single crystals of monotitanium dibismuth, TiBi2, were synthesized by slow cooling of a mixture of Bi and Ti from 693 K. The title compound is isostructural with CuMg2(orthorhombicFdddsymmetry). Ti atoms are located in square antiprisms of Bi atoms. The network of one type of Bi atom spirals along thea-axis direction while honeycomb layers of the other type of Bi atom spreading in theabplane interlace one another.

scholarly journals Rerefinement of the crystal structure of trichloridosulfonium(IV) hexachloridouranate(V), (SCl3)[UCl6]

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
Holger Lars Deubner ◽  
Sergei I. Ivlev ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Lattice Parameters ◽  
Structure Model ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ionic Compound ◽  
Distorted Octahedral ◽  
Atomic Coordinates

Single crystals of trichloridosulfonium(IV) hexachloridouranate(V) were obtained from the reaction of uranium(IV) chloride with an excess of disulfur dichloride and studied by single-crystal X-ray diffraction. In comparison with the structure model reported previously [Sawodny et al. (1983). Z. Anorg. Allg. Chem. 499, 81–88.], the lattice parameters and fractional atomic coordinates were determined to a much higher precision, leading overall to an improved structure model. The ionic compound contains trigonal–pyramidal (SCl3)+ cations and slightly distorted octahedral [UCl6]− anions. The structure was refined as an inversion twin with a twin ratio of 4.4:1.

scholarly journals Crystal structure of Ba2Co(BO3)2

2019 ◽  
Vol 75 (3) ◽  
pp. 388-391
Author(s):  
Fatima-Ezahra N'Faoui ◽  
Jilali Aride ◽  
Ali Boukhari ◽  
M'Hamed Taibi ◽  
Mohamed Saadi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Title Compound ◽  
The Other ◽  
Coordination Numbers

Single crystals of dibarium cobalt(II) bis(orthoborate), Ba2Co(BO3)2, have been obtained from the melt. The crystal structure is composed of two isolated (BO3)3− triangles linked to Co2+ cations. The resulting [CoO5] square pyramids and the borate anions make up branched rows extending parallel to [010]. The barium cations occupy two sites in the voids of this arrangement and exhibit coordination numbers of nine each. A comparison with the structures of other A 2 M(BO3)2 compounds reveals a unique five-coordination of the small metal M in the title compound instead of four- or six-coordination for the other A 2 M(BO3)2 compounds with M = Cu, Zn, Mg, Ca, or Cd.

Über ein neues Kupfervanadat: Cu4V2.15O 9.38 / About Cu4V2,15O9.38

1975 ◽  
Vol 30 (3-4) ◽  
pp. 175-178 ◽  
Author(s):  
H.-P. Christian ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Hydrothermal Synthesis ◽  
Single Crystals ◽  
Unit Cell ◽  
The Other ◽  
Structure Investigation ◽  
Orthorhombic Unit Cell ◽  
Space Group ◽  
Group D

Single crystals of Cu4V2.15O9,38 were prepared by hydrothermal synthesis. The composition was confirmed by analysis and crystal structure investigation. Cu4V2.15O9,38 has an orthorhombic unit cell : a = 15.021, b = 8.564 and c = 6.055 Å, space group D24P 212121. The structure consists of a network made up of chains of edge-shared Cu-O6 octahedra. The chains are linked by Cu-O6 octahedra building up a wave-like layer parallel to the b/c plane. The layers are linked to each other by V—O4 tetrahedra and two sorts of trigonal bipyramids one of them containing copper. The center of the other one is statistically filled with vanadium.

Zur Kenntnis des Oxocuprats (Cu,Co)3,75Mo3O12 / On the Oxocuprate (C u,Co)3,75Mo3O12

1995 ◽  
Vol 50 (5) ◽  
pp. 707-711 ◽  
Author(s):  
H. Szillat ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
The Other ◽  
Rectangular Prism ◽  
Orthorhombic Symmetry ◽  
Space Group ◽  
X Ray ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract Single crystals of (Cu,Co)3,75Mo3O12 have been prepared by recrystallization from melts and investigated by X-ray diffractometer techniques. The compound crystallizes with orthorhombic symmetry, space group D162h-Pnma, a = 5.092(1), b = 10.624(3), c = 17.804(4) Å, Z = 4 and is isotypic to NaCo2.31Mo3O12. The crystal structure is discussed and it is shown, that the trigonal prismatically coordinated copper positions are occupied in a different manner. One of the alternate sites is beside the centre of the prisms, and the other one is shifted towards one of the faces of the rectangular prism. This detail may be interpreted by assigning the valance states CuI and CuII. The MO6 octahedra are occupied statistically by copper and cobalt.

Synthese und Kristallstruktur von (Cu,Zn)3,75Mo3O12 / Synthesis and Crystal Structure of (Cu,Zn)3,75Mo3O12

1995 ◽  
Vol 50 (2) ◽  
pp. 247-251 ◽  
Author(s):  
H. Szillat ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Single Crystals ◽  
The Other ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Occupancy Factor ◽  
X Ray ◽  
Group D ◽  
Oxygen Atoms

Single crystals of (Cu,Zn)3,75Mo3O12 have been prepared by crystallization from melts and investigated by X-ray diffractometer techniques. (Cu,Zn)3,75Mo3O12 crystallizes orthorhombically, space group D24-P212121, Z = 4, a = 17.947(9), b = 5.092(3), c = 10.685(5) Å. It is isotypic to Cu3,85Mo3O12. All molybdenum atoms are tetrahedrally coordinated by oxygen atoms. There are layers of CuO6 and ZnO6 octahedra, while other metal sites are occupied by copper in a deformed prismatic coordination with one oxygen atom at a remarkably greater distance from copper than the other five. Some of the zinc atoms occupy positions in chains of face-sharing octahedra with an occupancy factor of 0.75. The crystal structure is discussed with respect to the isotypic compound Cu3,85Mo3O12 and compounds of the type CuLnMo2O8.

The crystal structure of the new mineral dyrnaesite-(La),Na8CeIVREE2(PO4)6

2017 ◽  
Vol 81 (1) ◽  
pp. 199-208 ◽  
Author(s):  
Tonči Balić-Žunić
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Rare Earth Element ◽  
Mirror Symmetry ◽  
Earth Element ◽  
Structural Type ◽  
The Other ◽  
New Mineral ◽  
Bond Lengths ◽  
Unit Cells

AbstractDyrnaesite-(La), Na7.89(Ce0.94Ca0.06)∑1.00(La1.14Ce0.40Pr0.10Nd0.24Ca0.12)∑2.00(PO4)6 is orthorhombic, Pnma, a = 18.4662(7), b= 16.0106(5), c = 7.0274(2) Å, V = 2077.7(1) Å3, Z = 4. The crystal structure is related to the group of Na3REE(XO4)2 compounds (with X = P, V, As), based on the aphthitalite/glaserite structural type. Dyrnaesite is distinct in having ordered Na vacancies, and a rare-earth element (REE) site occupied preferentially by Ce4+. This also distinguishes it from closely related vitusite-(Ce) [Na3REE(PO4)2]. The relation of their unit cells is: ad= bv, bd = 3av, cd = 1/2 cv. The distinct Ce4+ site in dyrnaesite-(La) has smaller coordination with shorter bond lengths than the other REE site in the same structure or the REE sites in vitusite-(Ce). It is adjacent to the predominately vacant Na site, which in its turn has the largest coordination of all Na sites in the structure. REE sites, or Na sites in a [010] row (similar to [100] in vitusite(Ce)) assume two types of coordinations with and without mirror symmetry and two different configurations of surrounding PO4 tetrahedra. This summarizes the topological difference to vitusite-(Ce) where the corresponding coordinations are similar in the same row and intermediate in character to the two types in dyrnaesite-(La).

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