Space occupancy factor

Fig. 8.1. The relationship between space occupation factor in liquids and AITm), the distance from the freezing temperature. Sample of 51 of the most common organic liquids, hydrogen bonding or not. Cpac is smaller for rotationaUy disordered crystals of globular molecules A, fert-butanol B, cyclohexane C, CF4.

The volume of the spheroidal cluster, V, is estimated by calculating the volume occupation of a single molecule, as the ratio of the intrinsic molecular volume to the space occupation factor (Sections 1.3 and 1.4), and multiplying by the number of molecules in the cluster. The expected radius R° is estimated by taking the radius of a sphere of volume V°, and the surface, A°, is then 4jt(R°). ... 

The oxygen atom was found to be disordered at the crystallographic inversion center and therefore refined with half occupation factors on each side of the B-B bond (model A, Space Group C2/c, No. 15). This disorder is connected with the centrosymmetry in the crystal lattice, which is also strictly valid for the C(SiMe3)3 substituents. In spite of the disorder of the oxygen atom in the crystal, the bond length of the B-B bond could be determined with satisfactory precision [1.601 (7)... 

Table 1. Unit cell parameters , atomic positions, occupation factors, thermal parameters, bond distances and angles as a function of temperature for SrjCrNbOs 53 - Space group I2/m (No. 12-3), Z = 2.

The data obtained from an X-ray crystal structure determination are the unit cell dimensions, the space group, the atomic coordinates, the atomic displacement parameters (to be described) and the atomic occupancy factors (which are generally unity). 

Comfort is influenced by temperature, humidity, air velocity, radiant heat, clothing, and work intensity. Psychological factors may mso influence comfort, but their discussion is beyond the scope of this handbook. The reader is referred to Chap. 42 of the HVAC Applications volume of the A.S.H.R.A.E. Handbooks for a full discussion of the control of noise, which must also be considered in air-conditioning design. Figure 5 in Chap. 8 of the HVAC Fundamentals volume of the A.S.H.R.A.E. Handbooks relates the variables of ambient temperature, dew point temperature (or humidity ratio) to comfort under clothing and activity conditions typical for office space occupancy. It also shows boundary values for ET, the effective temperature index. This index combines temperature and moisture conditions into a... 

A crystal structure is described by a collection of parameters that give the arrangement of the atoms, their motions and the probability that each atom occupies a given location. These parameters are the atomic fractional coordinates, atomic displacement or thermal parameters, and occupancy factors. A scale factor then relates the calculated structure factors to the observed values. This is the suite of parameters usually encountered in a single crystal structure refinement. In the case of a Rietveld refinement an additional set of parameters describes the powder diffraction profile via lattice parameters, profile parameters and background coefficients. Occasionally other parameters are used these describe preferred orientation or texture, absorption and other effects. These parameters may be directly related to other parameters via space group symmetry or by relations that are presumed to hold by the experimenter. These relations can be described in the refinement as constraints and as they relate the shifts, Ap,-, in the parameters, they can be represented by... 

Bose-Einstein occupation factors, 276 energy dissipation rate, 275 equations of motion, 275-276 Fourier-space Langevin equation, 276 Hamiltonian and harmonic modes, 274 memory kernel, 275 molecule-bath coupling constants, 274 transmission coefficient, 276... 

Fig. 1. ORTEP plot of the molecular structure of 5b. Monoclinic, space group PTJc. Positions of Cl, C13 and C14 marked by a prime have an occupation factor of 36.5 %, the positions without a prime have an occupation factor of 63.5 %.

It can be seen that two crystals vary in composition. They differ in K-content. Both crystals belong to tetragonal space group P4/mmm. The respective unit cell parameters slightly differ in their values for two compounds. There is correlation between the parameter s value and the K content. The more K content, the more a and the less c parameter. Structure parameters, such as atomic coordinates, thermal and occupancy factors, were refmed up to reliability factor R=0.038 and R=0.055 for two crystals respectively. 

In Table 2, the positional parameters and occupancy factors for the representative aluminosilicates are listed. The space groups and lattice parameters are given in Table 3. The corresponding compositions of the samples are also included. A history and the evolution of zeohtes material has been published in [1 IMl]. 

La 2.66MniiS6o-type. This formula is contained in a monoclinic cell of space group Bm, There are 28 positions for lanthanum in this cell, of which 12 are only partially filled (occupancy factors 0.63 to 0.82). Their coordination is 7-8. Eight manganese atoms are inside distorted octahedra. On the other hand, six other very special positions at very short distances from one another (1.95-1.96 A) are, in groups of three, in the same cavity formed by 12 S atoms. These positions are half filled by the Mn atoms. Here is the first example of clusters of 3d elements with metal-metal bonds. The same structure was observed with the iron derivative (Collin et al., 1974a). 

Both primary factors and lesser secondary factors affect our sense of satisfac tion with the thermal environment. The primaiy factors have significant reproducible effects and directly affect heat transfer and the occupant s thermal state, Secondar factors that may affect one s sense of satisfaction with a space are conditions such as color and ambiance, local climate, age, physical fitness, sound, food, and illness. These secondary factors have smaller to negligible effects on one s thermal state and will not be discussed here, but such information is available. ... 

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