A site for creating the CIF format crystal structure

We present here a site that allows us to create a crystal structure in CIF format.


Procedure:


1- Click on the following link 

http://stokes.byu.edu/iso/findsym.php

you will find the following page:

Import Data

Import structure from a CIF structure file:  

Enter Data

Title (copied to output)

Tolerance
Lattice:  Atomic position:  Magnetic moment: 

Lattice parameters that define a "conventional" unit cell. (alpha is the angle between b and c; beta is the angle between a and c; gamma is the angle between a and b.) Units for a,b,c are arbitrary. Units for alpha,beta,gamma are degrees.
a: b: c: alpha: beta: gamma:

Alternate method: enter cartesian coordinates of the basis vectors of the lattice. Units are arbitrary.

Automatically add additional atoms to the structure based on the specified centering type:
P I F A B C R

Use monoclinic settings with axes a(b)c c(-b)a ab(c) ba(-c) (a)bc (-a)cb
Use monoclinic settings with cell choice 1 2 3
Use orthorhombic settings with axes abc ba-c cab -cba bca a-cb
Use settings with origin choice 1 2
Use settings with hexagonal rhombohedral axes

Number of atoms in the unit cell: 

Type of each atom in the unit cell. (Separate symbols by spaces.)

Position of each atom in the unit cell. Coordinates are given in terms of the three vectors above which define a conventional unit cell. Units are dimensionless. Enter each atom on a separate line.
Include magnetic moments. Give components along the three vectors above which define a conventional unit cell.

Click to submit data: 

Click to reset data: 

2- Add the following information:

3- Click on the button OK


You will the get the crystal structure in CIF format

FINDSYM, Version 5.1.1, November 2017
Written by Harold T. Stokes, Branton J. Campbell, and Dorian M. Hatch
Brigham Young University
 
CoO
Tolerance of lattice:    0.000010
Tolerance of atomic position:    0.001000
Tolerance of magnetic moment:    0.001000
Lattice parameters, a,b,c,alpha,beta,gamma:
   4.26670   4.26670   4.26670  90.00000  90.00000  90.00000
Centering: P
Number of atoms in unit cell:
   8
Type of each atom:
4*Co 4*O 
Position of each atom (dimensionless coordinates)
   1   0.00000   0.00000   0.00000
   2   0.00000   0.50000   0.50000
   3   0.50000   0.00000   0.50000
   4   0.50000   0.50000   0.00000
   5   0.50000   0.50000   0.50000
   6   0.50000   0.00000   0.00000
   7   0.00000   0.50000   0.00000
   8   0.00000   0.00000   0.50000
Using monoclinic settings with axes a(b)c
Using monoclinic settings with cell choice 1
Using orthorhombic settings with axes abc
Using settings with origin choice 2
Using settings with hexagonal axes
------------------------------------------
Space Group 225  Oh-5      Fm-3m     
Origin at    0.00000   0.00000   0.00000
Vectors a,b,c:
   1.00000   0.00000   0.00000
   0.00000   1.00000   0.00000
   0.00000   0.00000   1.00000

...
....