Cell parameters

This reaction has a positive free energy of 422.2 kj (100.9 kcal) at 25°C and hence energy has to be suppHed in the form of d-c electricity to drive the reaction in a net forward direction. The amount of electrical energy required for the reaction depends on electrolytic cell parameters such as current density, voltage, anode and cathode material, and the cell design. 

Zeohte type Designation Cation Effective pore diameter, E Unit cell parameter, E... 

Physical Properties. LLDPE is a sernicrystaUine plastic whose chains contain long blocks of ethylene units that crystallize in the same fashion as paraffin waxes or HDPE. The degree of LLDPE crystallinity depends primarily on the a-olefin content in the copolymer (the branching degree of a resin) and is usually below 40—45%. The principal crystalline form of LLDPE is orthorhombic (the same as in HDPE) the cell parameters of nonbranched PE are a = 0.740 nm, b = 0.493 nm, and c (the direction of polymer chains) = 0.2534 nm. Introduction of branching into PE molecules expands the cell slightly thus a increases to 0.77 nm and b to around 0.50 nm. 

Properties of PET Molding Resins. The fliU crystal stmcture of poly(ethylene terephthalate) has been estabhshed by x-ray diffraction (134—137). It forms triclinic crystals with one polymer chain per unit cell. The original cell parameters were estabhshed in 1954 (134) and numerous groups have re-examined it over the years. Cell parameters are a = 0.444 nm, b = 0.591 nm, and c = 1.067 nm a = 100°, (3 = 117°, and 7 = 112° and density = 1.52 g/cm. One difficulty is determining when crystallinity is fliUy developed. PET has been aimealed at up to 290°C for 2 years (137). 

Step 3. The computer collects about 45 frames of data. The crystal is rotated about the vertical axis for 0.3 degree for each frame. Usually the crystal is exposed to x-rays for about 5 seconds for each frame. The computer finds the centers of many reflections (typically 25 to several hundred) and determines indices for these reflections. It then determines the unit cell parameters and the orientation of the unit cells with respect to the diffractometer. 

Step 4. The user may then search for a match of the measured unit cell parameters against all unit cell parameters that have been pubUshed. 

Currently, there are about 197,500 entries in the National Institute of Standards and Technology (NIST) Crystal Data File. An exhaustive search takes about one minute. Unit cell parameters are very definitive. Usually only one or a few hits are found and the appropriate Hterature reference(s) are Hsted. If no hits are found, the stmcture has not been previously reported. 

The time for these four steps is typically about 15—20 min. It takes 1—2 h with the older single-reflection detector instmments. Because all reflections with weak, as well as moderate to strong intensities, are measured with the SMART system, the probabiUty of obtaining incorrect unit cell parameters is less than for conventional instmments. 

For small crystals, the 5 s per frame must be increased, but because so many reflections can be measured in a short period of time, it is possible to determine the unit cell parameters and identify crystals considerably smaller than was possible with conventional instmments. Currently (1996), the smallest sample for which this method has been used had dimensions of approximately 0.01 mm x 0.01 mm x 0.01 mm (about 2 n). As a result the SMART system is one of the most powerful tools for determining the identity of very small samples. 

Indexings and Lattice Parameter Determination. From a powder pattern of a single component it is possible to determine the indices of many reflections. From this information and the 20-values for the reflections, it is possible to determine the unit cell parameters. As with single crystals this information can then be used to identify the material by searching the NIST Crystal Data File (see "SmaU Molecule Single Stmcture Determination" above). 

Clinical chemistry analy2ets ate automated instmments used for measuring concentrations of the various chemical constituents of blood or other body fluids. For a discussion of the related category of instmments used for the measurement of blood cell parameters, see Automated instruments, HEMATOLOGY. 

It is important to apply a first principles technique since an alternative ionic modelling approach based on the fom-Gordon formalism yields errors in the cell parameters as high as... 

The compound Li4Nb04F crystallizes in cubic syngony, with a cell parameter of 4.192 A and a Rock Salt (NaCl) structure. The compound s X-ray diffraction pattern and cell parameter are very similar to those of nickel oxide, NiO. 

Compound Syngony Cell parameters, A a b c a P Z Space Group Density p, g/cm3 Reference... 

Table 19. Cell parameters of heptafluorotantalates and heptafluoroniobates containing bivalent cations. 

The compound Ag(TaF6)2 crystallizes in triclinic syngony with cell parameters (A, grad.) as follows a = 9.061, b = 5.607, c = 5.207, a = 118.7, p = 91.61, y = 102.3. Ag(TaF6)2 is composed of two separate layers made up of octahedral ions AgF64 and distorted octahedral complexes NbFe that are linked through the planes. 

Table 28 presents structural characteristics of compounds with X Me ratios between 6 and 5 (5.67, 5.5, 5.33, 5.25). According to data provided by Kaidalova et al. [197], MsNbsC Fu type compounds contain one molecule of water to form M5Nb303Fi4-H20, where M = K, Rb, Cs, NH4. Cell parameters for both anhydrous compounds [115] and crystal-hydrates [197] were, nevertheless, found to be identical. Table 28 includes only anhydrous compound compositions because IR absorption spectra of the above compounds display no bands that refer to vibrations of the water molecule... 

Typical chain-type crystal structure is observed for compounds with the general formula MNbOF4. Table 30 presents cell parameters of tantalum and niobium pentafluorides and of other compounds with X Me = 5. 

When 0.4 < x < 0.53, an orthorhombic phase is observed in the AgxNb02+xFi.x system. This phase undergoes a phase transition at 900°C that leads to the formation of a tetragonal phase, which crystallizes in a tetragonal tungsten bronze-type structure with cell parameters a = 12.343 and c = 3.905 A. When 0.82 < x < 1, solid solutions based on AgNb03 were found, which crystallize in a perovskite-type structure. 

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