The formula the works for me is, [4/sqrt(3)] x [ radius of Ga + radius of As ]. For totally unknown materials, all parameters must be specified in the input file. The data for the lattice parameters are quoted from A R West "Basic Solid State Chemistry" (Wiley 1988), which states them to be from R W G Wykoff, "Crystal Structures" (Wiley 1971) Vol 1. ZnS, zinc sulfide (or zinc blende) forms an FCC unit cell with sulfide ions at the lattice points and much smaller zinc ions occupying half of the tetrahedral holes in the structure. Given the atomic masses of In (114.82 g mol-1) and As (74.92 g mol-1), find the density. \[ Zn-S\ =\ … The structural properties of the zinc-blende, rock-salt, cinnabar and SC16 phases are presented. For materials which are not known to the database and for the use of nondefault values for some of the parameters of a known material. And the structure is Zinc blende with arsenic occupying half of the tetrahedral sites. determine the number of Schottky defects per unit cell; and per cubic centimeter. If the density is 3.02 g/cm 3 and the lattice parameter is 0.59583 nm. From the figure, we can see that a = b = c. All the atoms in a zinc blende structure are 4-coordinate. A number of inter-atomic distances may be calculated for any material with a zinc blende unit cell using the lattice parameter (a). The densities of the zinc-blende structures given in the tables below have been obtained by calculation using the respective lattice parameters from there. So we have the covalent Radii of Ga = 1.26 A and As = 1.19 A. Here Fe and O atoms form a face centered cubic lattice, therefore a = b = c and from the figure, we can see that each is equal to 2 (r Fe + r O ) = 2 (0.077 + 0.14) = 0.217nm For ZnTe: ZnTe has a Zinc blende structure as shown in the figure with Zn cations occupying tetrahedral sites in the FCC lattice formed by the Te anions. ZincBlende (Sphalerite) Lattice or (Zinc,Iron) Sulfide Lattice. Now crystals with a few millimeter sizes are commercially available. 1−xC alloys in zinc-blende structures with Si contents between 0 and 1 using the full potential-linearized augmented plane wave (FP-LAPW) method. The zinc blende unit cell is shown in Figure \(\PageIndex{9}\). InAs is a III-V semiconductor that has the zinc blende structure with a lattice parameter of 0.606 nm. BN cub (Zinc blende modification , also known as cubic or sphalerite or b-BN) was first synthesized in 1957 using the technique similar to that used for diamond growth. b. 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