rhombohedral - primitive cell lattice vectors

[prince gollapalli]

I have a primitive FCC cell which is rhombohedral, a=b=c=3.0657668114 ; all angles are 90 degrees to each other.

my POSCAR file looks like this

ti1 c1

1.0

        3.0657668114         0.0000000000         0.0000000000

        1.5328834057         2.6550319407         0.0000000000

        1.5328834057         0.8850106469         2.5031881194

   Ti    C

    1    1

Direct

     0.000000000         0.000000000         0.000000000

     0.499999994         0.500000009         0.500000003

I understood first two lattice vectors, but didn't understand the third lattice vector.

Can anyone help me out with this. I'm using vesta for visualization.

[K K Sram]

its in C-direction and third lattice parameter.

where is doubt?

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[K K Sram]

also if all angles are at 90 degrees then its a Cubic structure, with all sides same.

but your POSCAR on VESTA looks like this as attached. check if this sis same you view in your system in VESTA

[prince gollapalli]

Yes, Its the same unit cell with 60 degrees angle. sorry it's not 90 degrees.

On Wed, Aug 1, 2018 at 11:57 AM K K Sram <kkmwo...@gmail.com> wrote:

also if all angles are at 90 degrees then its a Cubic structure, with all sides same.

but your POSCAR on VESTA looks like this as attached. check if this sis same you view in your system in VESTA

On Wed, Aug 1, 2018 at 3:52 PM, K K Sram <kkmwo...@gmail.com> wrote:

its in C-direction and third lattice parameter.

where is doubt?

On Wed, Aug 1, 2018 at 4:45 AM, prince gollapalli <prince.g...@gmail.com> wrote:

I have a primitive FCC cell which is rhombohedral, a=b=c=3.0657668114 ; all angles are 90 degrees to each other.

my POSCAR file looks like this

ti1 c1

1.0

        3.0657668114         0.0000000000         0.0000000000

        1.5328834057         2.6550319407         0.0000000000

        1.5328834057         0.8850106469         2.5031881194

   Ti    C

    1    1

Direct

     0.000000000         0.000000000         0.000000000

     0.499999994         0.500000009         0.500000003

I understood first two lattice vectors, but didn't understand the third lattice vector.

Can anyone help me out with this. I'm using vesta for visualization.

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