Sodium crystal structure

Figure Bl.8.4. Two of the crystal structures first solved by W L Bragg. On the left is the stnicture of zincblende, ZnS. Each sulphur atom (large grey spheres) is surrounded by four zinc atoms (small black spheres) at the vertices of a regular tetrahedron, and each zinc atom is surrounded by four sulphur atoms. On the right is tire stnicture of sodium chloride. Each chlorine atom (grey spheres) is sunounded by six sodium atoms (black spheres) at the vertices of a regular octahedron, and each sodium atom is sunounded by six chlorine atoms.

Fig. 3. Model of the crystal structure of the mineral mordenite showing the main channel formed by 12-membered ring and small channels which contain some of the sodium cations. Synthetic types of mordenite exhibit the adsorption behavior of a 12-membered ring, whereas the mineral does not, probably...

In compound materials - in the ceramic sodium chloride, for instance - there are two (sometimes more) species of atoms, packed together. The crystal structures of such compounds can still be simple. Figure 5.8(a) shows that the ceramics NaCl, KCl and MgO, for example, also form a cubic structure. Naturally, when two species of atoms are not in the ratio 1 1, as in compounds like the nuclear fuel UO2 (a ceramic too) the structure is more complicated (it is shown in Fig. 5.8(b)), although this, too, has a cubic unit cell. 

Figure 5.9 Crystal structure of the etherate of polymeric sodium hydridodiethylberyllaie (Et20NaHBeEtj) emphasizing two features of the structure (see text).

The sodium in the E-cat is the sum of sodium added with the feed and sodium on the fresh catalyst. A number of catalyst suppliers report sodium as soda (Na20). Sodium deactivates the catalyst acid sites and causes collapse of the zeolite crystal structure. Sodium can also reduce the gasoline octane, as discussed earlier. 

Taking the ionic radii for Cs+, Cl , Br , and I from Table 42, calculate in cubic centimeters per mole the volumes which the cesium halides would have if they crystallized in the sodium chloride structure, nnd compare with the values plotted in Fig. 57. 

Structural characteristics of compounds with X Me = 8 are collected in Table 17. Na3NbF8 and Na3TaF8 compounds that form similar crystal structure [77], The structure of Na3TaF8 was determined by Hoard et al. [136], by means of X-ray diffraction of a single crystal. Na3TaF8 is composed of sodium cations and isolated complex ions TaF83, in an Archimedean antiprism configuration, as shown in Fig. 23. 

Lithium dioxyfluoroniobate (IV), LiNb02F, also has a LiNb03-type crystal structure, while dioxyfluoroniobates of sodium and potassium, NaNb02F and KNb02F, crystallize in a perovskite-type structure [247]. 

Compounds of the same stoichiometry type usually have the same type crystal structure within the row of alkali metals K - Rb - Cs rarely the same type structure with sodium-containing analogues and never ciystallize similarly with lithium-containing compounds. The crystal structure analysis of different fluoride and oxyfluoride compounds clearly indicates that the steric similarity between all cations and tantalum or niobium must be taken into account when calculating the X Me ratio. 

Dimethyl 2,7-dimethyl-4//-azepine-3,6-dicarboxylate, which was the first 4//-azepine to be isolated and characterized,29 on heating, or on treatment with sodium ethoxide in ethanol, rearranges quantitatively to the 3//-isomer. The X-ray crystal structure of dimethyl 7-(dimethylamino)-6-methyl-4//-azepine-2,3-dicarboxylate has been determined.42... 

Morth JP, Pedersen BP, Toustrap-Jensen MS, et al (2007) Crystal structure of the sodium potassium pump, Nature 450 1043-1050... 

Rawlings and Lingafelter [69] studied the hydrated phases of sodium alcohol sulfates ranging from C6 to C20 and their crystal structures by X rays. The a phase is almost identical to that of the alkylsulfonates but all other phases are different. The crystals of all phases are monoclinic. This work was completed by Prins and Prins [70] who gave more precise details of the polymorphism of sodium alcohol sulfates. 

The Krafft temperature for a homologous series rises as the chain length increases but with independent and different curves for even or odd members [80]. Figure 7 shows the Krafft temperatures of sodium alcohol sulfates ranging from 11 to 18 carbon atoms where the two different curves for odd- and even-numbered series and the alternancy of values can be clearly observed. Lange and Schwuger explain this effect as caused by the different crystal structures of the even and odd numbers. 

In deriving theoretical values for inter-ionic distances in ionic crystals the sum of the univalent crystal radii for the two ions should be taken, and corrected by means of Equation 13, with z given a value dependent on the ratio of the Coulomb energy of the crystal to that of a univalent sodium chloride type crystal. Thus, for fluorite the sum of the univalent crystal radii of calcium ion and fluoride ion would be used, corrected by Equation 13 with z placed equal to y/2, for the Coulomb energy of the fluorite crystal (per ion) is just twice that of the univalent sodium chloride structure. This procedure leads to the result 1.34 A. (the experimental distance is 1.36 A.). However, usually it is permissible to use the sodium chloride crystal radius for each ion, that is, to put z = 2 for the calcium... 

Other Binary Compounds.—Scandium nitride and zirconium and titanium carbide do not conform with the theoretical radii. It is possible that these crystals do not consist essentially of Sc+3, N 3, Ti+4, Zr+4 and C-4 ions, especially since zirconium and titanium nitride, ZrN and TiN, also form crystals with the sodium chloride structure but possibly also the discrepancy can be attributed to deformation of the anions, which have very high mole refraction values. 

In Table XVIII are given values of the radius ratio for the salts of beryllium, magnesium and calcium (those of barium and strontium, with the sodium chloride structure, also obviously satisfy the radius ratio criterion). It is seen that all of the sodium chloride type crystals containing eight-shell cations have radius ratios greater than the limit 0.33, and the beryl-... 

The prediction may be made that the still unstudied crystal magnesium telluride, with the radius ratio 0.29, has the sphalerite or wurzite structure rather than the sodium chloride structure. 

The radius ratios for sphalerite and wurzite type crystals with eighteen-shell cations do not conform to our criterion, so that some other influence must be operative. Without doubt this is deformation. Here again it is seen that the tetrahedral structure is particularly favorable to deformation, for the observed Zn++—O distance (1.93 A.) is 0.21 A. shorter than the theoretical one, while in cadmium oxide, with the sodium chloride structure, the difference is only 0.01 A. 

It is also shown that theoretically a binary compound should have the sphalerite or wurzite structure instead of the sodium chloride structure if the radius ratio is less than 0.33. The oxide, sulfide, selenide and telluride of beryllium conform to this requirement, and are to be considered as ionic crystals. It is found, however, that such tetrahedral crystals are particularly apt to show deformation, and it is suggested that this is a tendency of the anion to share an electron pair with each cation. 

The elucidation of the factors determining the relative stability of alternative crystalline structures of a substance would be of the greatest significance in the development of the theory of the solid state. Why, for example, do some of the alkali halides crystallize with the sodium chloride structure and some with the cesium chloride structure Why does titanium dioxide under different conditions assume the different structures of rutile, brookite and anatase Why does aluminum fluosilicate, AljSiCV F2, crystallize with the structure of topaz and not with some other structure These questions are answered formally by the statement that in each case the structure with the minimum free energy is stable. This answer, however, is not satisfying what is desired in our atomistic and quantum theoretical era is the explanation of this minimum free energy in terms of atoms or ions and their properties. 

Fig. 2.—The arrangement of ions in cube-face layers of alkali halide crystals with the sodium chloride structure.

In closely related studies, the molecular and crystal structures of lithium, sodium and potassium N,N -di(p-tolyl)formamidinate and N,N -di(2,6-dialkyl-phenyl)formamidinate complexes have been elucidated. These showed the anions to be versatile ligands for alkali metals, exhibiting a wide variety of binding modes. ... 

Radical IV can be considered as a unique phosphorus radical species. Reduction of the parent macrocycle with sodium naphtalenide in THF at room temperature gave a purple solution. The FPR spectrum displayed a signal in a 1 2 1 pattern, with flp(2P)=0.38 mT. DFT calculations on radical IV models indicated a P-P distance of 2.763 A (P - P is3.256 A in the crystal structure of the parent compound and the average value of a single P-P bond is 2.2 A). According to the authors, the small coupling constant arises from the facts that the principal values of the hyperfine tensor are of opposite sign and that the a P P one electron bond results from overlap of two 3p orbitals [88]. 

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