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HW1 (1) Solution

This document contains the solutions to 5 homework problems about materials structures and properties. The first problem shows the calculation of the minimum cation-to-anion radius ratio of 0.414 for the rock salt crystal structure with a coordination number of six. The second problem calculates the theoretical density of NiO to be 6.79 g/cm3. The third problem computes the atomic packing factor of the diamond cubic structure to be 0.340. The fourth problem represents specific crystallographic planes for different ceramic structures. And the fifth problem discusses why silicate materials have relatively low densities due to their covalent atomic bonding.

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166 views6 pages

HW1 (1) Solution

This document contains the solutions to 5 homework problems about materials structures and properties. The first problem shows the calculation of the minimum cation-to-anion radius ratio of 0.414 for the rock salt crystal structure with a coordination number of six. The second problem calculates the theoretical density of NiO to be 6.79 g/cm3. The third problem computes the atomic packing factor of the diamond cubic structure to be 0.340. The fourth problem represents specific crystallographic planes for different ceramic structures. And the fifth problem discusses why silicate materials have relatively low densities due to their covalent atomic bonding.

Uploaded by

Rahmat Widodo
Copyright
© Attribution Non-Commercial (BY-NC)
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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MMAT 244 Introduction to Structure, Properties, and Processing of Materials II Spring 2007

Solution to Homework 1
1. (12.3) This problem asks us to show, using the rock salt crystal structure, that the minimum cation-toanion radius ratio is 0.414 for a coordination number of six. Below is shown one of the faces of the rock salt crystal structure in which anions and cations just touch along the edges, and also the face
diagonals.

From triangle FGH,

GF = 2rA andFH = GH = rA + rC

Since FGH is a right triangle

(GH )2 + (FH )2 = (FG )2

or

(rA + rC )2 + (rA + rC )2 = (2rA )2


which leads to

rA + rC =

2rA 2

Or solving for

rC rA

rC 2 1 = 0.414 = rA 2

2. (12.14) We are asked to calculate the theoretical density of NiO. This density may be computed using Equation (12.1) :

=
Where

n' (AC + AA ) VC N A

n' = the number of formula units within unit cell AC = the sum of the atomic weights of all cations in the formula unit AA = the sum of atomic weights of all anions in the formula unit VC = the unit cell volume N A = Avogadros number, 6.023 1023 formula units/mol
For this case, weve:

n' ( ANi + AO ) VC N A

Since the crystal structure is rock salt, n' = 4 formula units per unit cell, and

VC = a3 = (2rN 2 + + 2rO 2 + ) = [2(0.069 nm) +2(0.140 nm)]3


3

= 0.0730

nm 3 unitcell

= 7.30 10-23

cm 3 unitcell

Thus,

(4 fomula units/unit cell )(58.69 g/mol + 16.00 g/mol ) (7.30 10 23 cm 3 /unitcell )(6.023 10 23 formula units /mol )

= 6.79 g/cm3

3. (12.24) We are asked in this problem to compute the atomic packing factor for the diamond cubic crystal structure, given that the angle between adjacent bonds is 109.5. The first thing that we must do is to determine the unit cell volume VC in terms of the atomic radius r. The drawing below shows the cubic unit cell with those carbon atoms that bond to one another in onequarter of the unit cell.

From this figure, is one-half of the bond angle or = 109.5/2 = 54.75, which means that = 90 54.75 = 35.25 since the triangle shown is a right triangle. and, x = a/4,

therefore, x = a/4 = y sin a = 4y sin in which y = 2r and = 35.25. Furthermore, since the unit cell is cubic, VC = a3; therefore VC =(4y sin )3 = [(4)(2r)(sin 35.25)]3 = 98.43 r3

Now, it is necessary to determine the sphere volume in the unit cell, VS, in terms of r. For this unit cell (Figure 12.15) there are 4 interior atoms, 6 face atoms, and 8 corner atoms. The entirety of each of the interior atoms, one-half of each face atom, and one-eighth of each corner atom belong to the unit cell. Therefore, there are 8 equivalent atoms per unit cell; hence

Vs = 8(4/3r3 ) = 33.51 r3
Finally, the atomic packing factor is just

APF =

VS 33.51r 3 = = 0.340 VC 98.43r 3

4. (12.26) This problem asks that we represent specific crystallographic planes for various ceramic crystal structures. (a) A portion of the (100) plane for the rock salt crystal structure would appear as

(b) A portion of the (110) plane for the cesium chloride crystal structure would appear as

(c) A portion of the (111) plane for the zinc blende crystal structure would appear as

(d) A portion of the (110) plane for the perovskite crystal structure would appear as

5. (12.27) The silicate materials have relatively low densities because the atomic bonds are primarily covalent in nature (Table 12.1), and, therefore, directional. This limits the packing efficiency of the atoms, and therefore, the magnitude of the density.

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