- #1
Eduard1
- 7
- 0
Homework Statement
We have that for a crystal the lattice parameters (in angstrom and degree) are:
a b c (in Angstrom)
10.5 10.5 10.5
[itex]\alpha[/itex] β γ (in degree)
109.5 109.5 109.5
Find the lattice vectors components.
Homework Equations
The Attempt at a Solution
The way I solved the problem:
a_1 (first component of the vector a) = 0
a_2 = sin (109.5) * 10.5 = 9.8977356555
a_3 = cos (109.5) * 10.5 = -3.5049720195
b_1 = sin (109.5) * 10.5 = 9.8977356555
b_2 = 0
b_3 = cos (109.5) * 10.5 = -3.5049720195
c_1 = sin (109.5) * 10.5 = 9.8977356555
c_2 = cos (109.5) * 10.5 = -3.5049720195
c_3 = 0
The matrix with the vectors' components is then:
0.0000000000 9.8977356555 -3.5049720195
9.8977356555 0.0000000000 -3.5049720195
9.8977356555 -3.5049720195 0.0000000000
Is this correct ?
One could also write this matrix as:
0.0000000000 -3.5049720195 9.8977356555
9.8977356555 0.0000000000 -3.5049720195
9.8977356555 -3.5049720195 0.0000000000
(notice the interchange in the the first vector components). Which matrix is correct ? The ordering will be definitelly important for the atom positions.
Thank you very much for any help.
Eduard