How Is the Diameter of an Iron Atom Calculated?

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The discussion focuses on calculating the diameter of an iron atom based on its mass and density. The initial calculations yield a volume of 7.1 cm³ for 55.847 grams of iron, leading to an incorrect estimate of the atom's diameter. Participants clarify that iron's body-centered cubic (BCC) structure affects the calculations, as it contains two atoms per unit cell. The correct diameter, derived from proper consideration of the BCC structure, is approximately 2.8E-10 m, while earlier calculations were flawed due to assumptions about atomic arrangement. The conversation emphasizes the importance of accurate modeling in atomic structure calculations.
Karol
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Homework Statement


55.847 grams of iron contain NA=6.02E23 atoms. the density is ρ=7.87 [gr/cm3]. What is the diameter of the iron atom

Homework Equations



The Attempt at a Solution


The volume of 55.847 grams is: $$\frac{55.847}{7.87}=7.1[cm^3]$$
I assume the NA number of atoms is arranged in a cube with an edge consisting of $$\sqrt[3]{6.02\times 10^{23}}\cong 84,436,877$$
The diameter: $$\frac{0.071}{84,436,877}=8.4\times 10^{-8}$$
The right answer is d=2.8E-10
 
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Karol said:

Homework Statement


55.847 grams of iron contain NA=6.02E23 atoms. the density is ρ=7.87 [gr/cm3]. What is the diameter of the iron atom

Homework Equations



The Attempt at a Solution


The volume of 55.847 grams is: $$\frac{55.847}{7.87}=7.1[cm^3]$$
It is correct so far.

Karol said:
I assume the NA number of atoms is arranged in a cube with an edge consisting of $$\sqrt[3]{6.02\times 10^{23}}\cong 84,436,877$$
What do you mean?

Karol said:
The diameter: $$\frac{0.071}{84,436,877}=8.4\times 10^{-8}$$
The right answer is d=2.8E-10

In what units? Your answer is wrong anyway.

ehild
 
Don't drop the units. Keep the units throughout your calculation and you will see your mistake.
 
11

I think of the round atom to be a cube with edge d=the diameter of the atom, then the 7.1[cm3] volume is filled with cubes:
##d^3\cdot N_A=7.1\times 10^{-6}[m^3] \Rightarrow d=2.3\times 10^{-10}##
The answer should be 2.8E-10, how to account for the difference? is my method right? maybe because of the different arrangement of round atoms?
 
Karol said:
I think of the round atom to be a cube with edge d=the diameter of the atom, then the 7.1[cm3] volume is filled with cubes:
##d^3\cdot N_A=7.1\times 10^{-6}[m^3] \Rightarrow d=2.3\times 10^{-10}##
The answer should be 2.8E-10, how to account for the difference? is my method right? maybe because of the different arrangement of round atoms?

Your result would be correct if the iron crystallized in simple cubic lattice. But it is body-centered cubic.
There are two atoms in the elementary cell, a cube. One atom is at each vertex, shared between 8 cells, and the other one is at the centre of the cube. The diameter of the atoms is half the body-diagonal of the cube. http://www.chemprofessor.com/solids_files/image027.jpg

ehild
 
Last edited by a moderator:
gg

The BCC structure. every cube has in it one complete atom + ##8\times\frac{1}{8}## of atoms on the corners, which gives 2 atoms in a cube.
In the diagonal of the cube are 4 radii: ##\sqrt{3}a=4r\rightarrow r=\frac{4}{\sqrt{3}}##
$$\left(\frac{4}{\sqrt{3}} r\right)^3\frac{N_A}{2}=7.1E-6\Rightarrow d=2r=2.07E-10$$
And still wrong
 
Karol said:
The BCC structure. every cube has in it one complete atom + ##8\times\frac{1}{8}## of atoms on the corners, which gives 2 atoms in a cube.
In the diagonal of the cube are 4 radii: ##\sqrt{3}a=4r\rightarrow r=\frac{4}{\sqrt{3}}##
$$\left(\frac{4}{\sqrt{3}} r\right)^3\frac{N_A}{2}=7.1E-6\Rightarrow d=2r=2.07E-10$$
And still wrong

Some rounding error? Using your equations and numbers I get 2.5E-6. This agrees with the value at http://en.wikipedia.org/wiki/Iron
Typo: I meant 2.5E-10.
 
Last edited:
haruspex said:
Some rounding error? Using your equations and numbers I get 2.5E-6. This agrees with the value at http://en.wikipedia.org/wiki/Iron
What am I missing? Wikipedia give the radius as 126 pm ##= 1.26 \times 10^{-10}## m.
 
tms said:
What am I missing? Wikipedia give the radius as 126 pm ##= 1.26 \times 10^{-10}## m.

Please see my correction to earlier post.
 
  • #10
Karol said:
The BCC structure. every cube has in it one complete atom + ##8\times\frac{1}{8}## of atoms on the corners, which gives 2 atoms in a cube.
In the diagonal of the cube are 4 radii: ##\sqrt{3}a=4r\rightarrow r=\frac{4}{\sqrt{3}}##
$$\left(\frac{4}{\sqrt{3}} r\right)^3\frac{N_A}{2}=7.1E-6\Rightarrow d=2r=2.07E-10$$
And still wrong

Your equation seems correct to me, although I think a mistake was made with the final calculation. Using your equation, I get
$$d = 2.48*10^{-10}[m]$$
Maybe the "solution" you've been given is incorrect?
 
  • #11
  • #12
What if the expected solution was simpler?

Starting as the OP with the total volume
$$
\frac{55.847\ \mathrm{g}}{7.87\ \mathrm{g/cm}^3} = 7.10\ \mathrm{cm}^3
$$
then, dividing by the number of atoms, we get the volume per atom
$$
\frac{7.10\ \mathrm{cm}^3}{6.022 \times 10^{23}} = 1.18 \times 10^{-23}\ \mathrm{cm}^3 = 1.18 \times 10^{-29}\ \mathrm{m}^3
$$
Assuming a spherical atom, we have
$$
r = \left( \frac{3}{4 \pi} V \right) = \left( \frac{3}{4 \pi} 1.18 \times 10^{-29}\ \mathrm{m}^3 \right)^{1/3} = 1.41 \times 10^{-10}\ \mathrm{m}
$$
thus a diameter of ##d = 2.8 \times 10^{-10}\ \mathrm{m}##.
 
  • #13
DrClaude said:
What if the expected solution was simpler?

It is quite possible, but wrong. The spheres do not fill the available volume.

ehild
 

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