Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums

Bräuer, G.; Zintl, E.

doi:10.1515/zpch-1937-3725

Cited by 212 publications

(73 citation statements)

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“…Dans la structure D013 du compos@ NaaAs, l'6tude de Brauer & Zintl (1937) r6v~le l'existence d'un r@seau NaAs ayant la structure BI2 du nitrure de bore, les deux atomes de sodium restants gtant situgs entre les couches successives, sur la normale au plan du r6seau passant par l'atome d'arsenic. Krebs (1956), passant en revue les principales phases de Zintl, envisage pour ces deux structures l'existence de liaisons partiellement homopolaires et indique bri&vement la possibilit6 d'une liaison par hybride spe avec rgsonance N-6Li duns la premigre, et sans rgsonance.…”

Section: Nature Des Liaisons Dans Les Structures 'Lian' Et D01sunclassified

“…Les Tableaux 4 et 5 donnent les augmentations A r comparges des rayons trigonaux et tgtragdriques pour les 616ments I et V. On trouve en moyerme, pour les 616-ments 16gers, des rapports Ariii/Ar~v de 1,14 pour les premiers et de 0,83 pour les seconds. Si nous supposons * Brauer & Zintl (1937) Les distances interatomiques ci-dessus coincident sensiblement avec les sommes du rayon du bismuth pour la coordination 8 et des rayons mdtalliques du sodium et du lithium (3,42 et 3,08). Par ailleurs, le nombre d'dlectrons disponible sur les atomes de lithium n'est pas suffisant pour permettre l'dtablissement de liaisons tdtraddriques avec rdsonance.…”

Section: Nature Des Liaisons Dans Les Structures 'Lian' Et D01sunclassified

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Sur la nature des liaisons dans les composés I–V

Suchet¹

1961

Acta Cryst

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(Regu le 22 mars 1960 et rdvisd le 30 juin 1960)The work of Krebs has shown that homopolar bonds are commoner in mineral crystals than was formerly assumed, and iV[ooser & Pearson have suggested that they are an essential prerequisite for the appearance of semiconducting properties. In former papers the electronic rules for predicting semiconduction were generalized, and the notion of a compensated structure was introduced. The nature of bonds in the binary compounds of elements of the first and fifth columns of periodic table are considered here in the light of previous work; these compounds are almost all known to be semiconductors.The consideration of partial covalent lattices, already proposed for the structure D0 a and B32, is extended to the structure D018 of AsNa 3 and to the structure of AsLi. In the first it is shown that interstitial 'molecules' of Na 2 exist, without bonds with the plane nets of type BI2, and that in the second there are helical covalent chains of the type A 8. The interatomic distances in these different structures serve as a foundation for the calculation of the atomic contributions of elements I and V to the bond lengths for different types of orbitals. It is first shown that these contributions vary regularly as a function of the formal charges which the covalent formulae assign to the chemical symbols of the elements, and secondly that they permit the establishment of conditions of stability for the different structures.A simplification of the Strulcturbericht classification is proposed for structures partially homopolar.

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Section: Nature Des Liaisons Dans Les Structures 'Lian' Et D01sunclassified

Sur la nature des liaisons dans les composés I–V

Suchet¹

1961

Acta Cryst

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“…1 ; Рбз/ттс) and does not show the significant symmetry reduction which was recently reported for NasAs itself (see refs. 2,3; Pbycm).…”

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confidence: 50%

Crystal structure of sodium dipotassium arsenide, NaK2As

Kerber¹,

Deiseroth²,

Walther³

1998

Zeitschrift Für Kristallographie - New Crystal Structures

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“…Table 1. Calculated lattice parameters a (Å), c (Å), elastic constants C ij (GPa), bulk moduli B (GPa), shear moduli G (GPa), Young's moduli E (GPa), and Poisson's ratio ν for Li 3 …”

Section: Structural Propertiesmentioning

confidence: 99%

“…The preparation, characterization and conductivity measurements of lithium phosphide (Li 3 P) made it possible to monitor the transition from ionic to metallic conductor [2]. Li 3 P crystallizes in the hexagonal A 3 X (A = alkali metals; X = group 15 elements) structure with P6 3 /mmc space group [3][4]. The crystal structure consists of Li + and P 3-ions which are stacked in two kinds of alternating layers perpendicular to the c axis.…”

Section: Introductionmentioning

confidence: 99%

Theoretical investigation on Elastic, Thermodynamic and Optical Properties of Li<sub>3</sub>P Ionic Conductor

Hossain

Islam

2012

J. Sci. Res.

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The elastic, thermodynamic and optical properties of Li 3 P have been studied for the first time using the plane-wave ultrasoft pseudopotential technique which is based on the firstprinciples density functional theory (DFT) within generalized gradient approximation (GGA). The optimized lattice parameters, independent elastic constants, Young's modulus E, bulk modulus B, shear modulus G, Cauchy's pressure, Pugh's ductility index (G/B), and Poisson's ratio υ have been calculated and discussed. The temperature and pressure dependence of bulk modulus, Debye temperature, specific heats, and thermal expansion coefficient are all obtained through the quasi-harmonic Debye model with phononic effects for T = 0−1000 K and P = 0−35 GPa. The large reflectivity in the ultraviolet energy region between 7-13.4 eV indicates the material to be a good candidate as coating to avoid solar heating.

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Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums

Cited by 212 publications

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Sur la nature des liaisons dans les composés I–V

Sur la nature des liaisons dans les composés I–V

Crystal structure of sodium dipotassium arsenide, NaK2As

Theoretical investigation on Elastic, Thermodynamic and Optical Properties of Li<sub>3</sub>P Ionic Conductor

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