Rare crystal structures

Calculate the surface energy at 0 K of (100) planes of radon, given that its energy of vaporization is 35 x 10 erg/atom and that the crystal radius of the radon atom is 2.5 A. The crystal structure may be taken to be the same as for other rare gases. You may draw on the results of calculations for other rare gases. 

A second example is that of an Ala-to-Cys mutation, which causes the fonnation of a rare SH S hydrogen bond between the cysteine and a redox site sulfur and a 50 mV decrease in redox potential (and vice versa) in the bacterial ferredoxins [73]. Here, the side chain contribution of the cysteine is significant however, a backbone shift can also contribute depending on whether the nearby residues allow it to happen. Site-specific mutants have confirmed the redox potential shift [76,77] and the side chain conformation of cysteine but not the backbone shift in the case with crystal structures of both the native and mutant species [78] the latter can be attributed to the specific sequence of the ferre-doxin studied [73]. 

Figure 7.6. A filled. skutterudite antimonide crystal structure. A transition niclal atom (Fc or Co) at the centre of each octahedron is bonded to antimony atoms at each corner. The rare earth atoms (small spheres) are located in cages made by eight octahedra. The large thermal motion of rattling of the rare earth atoms in their cages is believed be responsible for the strikingly low thermal conductivity of these materials (Sales 1997).

In general, ILs behave as moderately polar organic solvents with respect to organic solutes. Unlike the organic solvents to which they are commonly compared, however, they are poorly solvating and are rarely found as solvates in crystal structures. 

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. 

Similar problems arise with the four isomeric dibenzazepines 4-7. since only 5//-dibenz-[6,d]azepine (4) and 5//-dibenz[/>,./]azepine (7) can be drawn as fully benzenoid ring structures. Even so, 5//-dibenz[/ ,t/]azepines are rare and are known only as the 7-oxo derivatives.4 In contrast, 5//-dibenz[6,e azepine (5) and 6//-dibenz[r,t>]azepine (6) exist only as the 11//- 5a and 5H- 6a isomers, respectively. In fact, there is no chemical or spectrosopic evidence for the isomerization of 5//-dibenz[e,e]azepine,5 or its 6-oxide,6 to the 6//-dibenz[r, e]azcpinc isomer (6). In addition, an X-ray crystal structure of 7-methoxy-5//-dibenz[e,e]azepine supports unequivocally the benzenoid rather than the quinonoid form.7 9//-Tribenz[6,d /]azepine (8) has only recently been prepared.8... 

C.19 Aluminum oxide, alumina, exists in a variety of crystal structures, some of which are beautiful and rare. Write the formula for aluminum oxide, which is a binary compound of aluminum and oxygen. The mass of a rectangular slab of aluminum oxide of dimensions 2.5 cm X 3.0 cm X 4.0 cm is 102 g. What is the density of aluminum oxide ... 

Aluminum oxide, A1203, is known almost universally as alumina. It exists with a variety of crystal structures, many of which form important ceramic materials (see Section 14.22). As a-alumina, it is the very hard, stable, crystalline substance corundum impure microcrystalline corundum is the purple-black abrasive known as emery. Some impure forms of alumina are beautiful, rare, and highly prized (Fig. 14.25). A less dense and more reactive form of the oxide is y-alumina. This form absorbs water and is used as the stationary phase in chromatography. 

In a similar manner, treatment of anhydrous rare-earth chlorides with 3 equivalents of lithium 1,3-di-ferf-butylacetamidinate (prepared in situ from di-ferf-butylcarbodiimide and methyllithium) in THF at room temperature afforded LnlMeCfNBuOils (Ln = Y, La, Ce, Nd, Eu, Er, Lu) in 57-72% isolated yields. X-ray crystal structures of these complexes demonstrated monomeric formulations with distorted octahedral geometry about the lanthanide(III) ions (Figure 20, Ln = La). The new complexes are thermally stable at >300°C, and sublime... 

By far the most abundant phosphate mineral is apatite, which accounts for more than 95% of all P in the Earth s crust. The basic composition of apatite is listed in Table 14-2. Apatite exhibits a hexagonal crystal structure with long open channels parallel to the c-axis. In its pure form, F , OH , or Cl occupies sites along this axis to form fluorapatite, hydroxyapatite, or chlor-apatite, respectively. However, because of the "open" nature of the apatite crystal lattice, many minor substitutions are possible and "pure" forms of apatite as depicted by the general formula in Table 14-2 are rarely found. 

The crystal structures of the borides of the rare earth metals (M g) are describedand phase equilibria in ternary and higher order systems containing rare earths and B, including information on structures, magnetic and electrical properties as well as low-T phase equilibria, are available. Phase equilibria and crystal structure in binary and ternary systems containing an actinide metal and B are... 

The crystal structures of PbTX-1 dimethyl acetal, PbTX-1, and dihydro PbTX-1 provide a total of four independent pictures of the same brevetoxin skeleton. It is rare that this quantity of structural data is available for a natural product of this size. A comparison of torsional angles shows that all four molecules have approximately the same conformations in all rings, except, of course, for the aldehyde side chain and the E-ring in one of the independent molecules of PbTX-1. Least squares superposition fits among the four molecules gave the following average distances ... 

A rare example of thiourea coordination to low-valent Co is of a disubstituted thiourea as bridging ligand, observed in the cluster Co3(CO)7(/i3-S)(/i- 72-PhNC(S)NHCH2Ph) which is formed by reaction of Co2(CO)8 with the thiourea.172 The crystal structure of the product defines a tetrahedral Co3S core with all carbonyls in terminal positions and the deprotonated thiourea bridging two Co centers via the S and an amido N. 

Cobalt(II) alkoxides are known and monomeric forms are part of a wider review.413 The interest in these compounds pertains to a potential role in catalysis. For example, a discrete cobalt(II) alkoxide is believed to form in situ from a chloro precursor during reaction and performs the catalytic role in the decomposition of dialkyl pyrocarbonates to dialkyl carbonates and carbon dioxide.414 A number of mononuclear alkoxide complexes of cobalt(II) have been characterized by crystal structures, as exemplified by [CoCl(OC(t-Bu)3)2 Li(THF)].415 The Co ion in this structure and close relatives has a rare distorted trigonal-planar coordination geometry due to the extreme steric crowding around the metal. 

The crystal structures of these rare metal diborides are similar to Figure... 

Corneillie, T.M., Fisher, A.J., and Meares, C.F. (2003) Crystal structures of two complexes of the rare-earth-DOTA-binding antibody 2dl2.5 Ligand generality from a chiral system./. Am. Chem. Soc. 125, 15039-15048. 

The transition-metal monopnictides MPn with the MnP-type structure discussed above contain strong M-M and weak Pn-Pn bonds. Compounds richer in Pn can also be examined by XPS, such as the binary skutterudites MPn , (M = Co, Rh, Ir Pn = P, As, Sb), which contain strong Pn-Pn bonds but no M-M bonds [79,80], The cubic crystal structure consists of a network of comer-sharing M-centred octa-hedra, which are tilted to form nearly square Pnn rings creating large dodecahedral voids [81]. These voids can be filled with rare-earth atoms to form ternary variants REM Pnn (RE = rare earth M = Fe, Ru, Os Pn = P, As, Sb) (Fig. 26) [81,82], the antimonides being of interest as thermoelectric materials [83]. 

Open M4 units are also quite rare. In the selenobromides M4Se16Br2 (M=Nb, Ta) there are tetranuclear units M4(p-Se2)r,, which result from condensation of three M2( r-Se2)2 clusters. The M-M distances within them are about 3.1 A.52 Single crystal structure determination of V5S8 revealed the presence of rhombic vanadium clusters in the structure with hinge V-V bond of 2.88 A, peripheral bonds of 3.04 A and strong intercluster bonding (V-V 2.92 A).53... 

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