Using the Molecule Definition Utility found in both “Metallic Crystal Structures and Crystallography” and “Ceramic CrystalStructures” modules of VMSE, located on the book’s website [www.wiley.com/college/callister (Student Companion Site)], generate (and print out) a three-dimensional unit cell for lead oxide, PbO, given the following: (1) The unit cell is tetragonal with a 0.397 nm and c 0.502 nm, (2) oxygen atoms are located at the following point coordinates:\(\begin{array}{llll}0 & 0 & & 001 \\ 10 & 0 & & 101 \\ 0 & 1 & 0 & & 011 \\ \frac{1}{2} \frac{1}{2} & 0 & & \frac{1}{2} \frac{1}{2} 1\end{array}\) and (3) \(\mathrm{Pb}\) atoms are located at the following point coordinates: $$ \begin{array}{ll} \frac{1}{2} 00.763 & 0 \frac{1}{2} 0.237 \\ \frac{1}{2} 10.763 & 1 \frac{1}{2} 0.237 \end{array} $$

Step by step solution

01

Access the VMSE and Molecule Definition Utility

Go to the Student Companion Site for Materials Science and Engineering found at www.wiley.com/college/callister. Navigate to the "Metallic Crystal Structures and Crystallography" or "Ceramic Crystal Structures" modules, where you will find the Molecule Definition Utility.

02

Define the crystal lattice

Once you have accessed the Molecule Definition Utility, set the lattice type to "tetragonal" and input the unit cell dimensions given as a = 0.397 nm and c = 0.502 nm.

03

Define the Oxygen atom positions

The exercise provides us with four point coordinates for Oxygen atoms. Add each of these coordinates to the Molecule Definition Utility as follows: 1. 0 0 0.001 2. 1.0 0 1.001 3. 0 1.0 0.011 4. 0.5 0.5 1.0 0.5 0.5 1.0

04

Define the Lead atom positions

Similarly, add the two given point coordinates for Lead atoms to the Molecule Definition Utility: 1. 0.5 0 0.763 0 0.5 0.237 2. 0.5 1 0.763 1 0.5 0.237

05

Generate and visualize the unit cell structure

Now that all the necessary information has been entered into the Molecule Definition Utility, click "Generate" to create the three-dimensional unit cell for lead oxide (PbO). You should now be able to visualize the unit cell structure in the VMSE software.

06

Print out the unit cell structure

In the VMSE software tool, use the available printing options to print the generated three-dimensional unit cell for lead oxide (PbO).

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