-    EULYTINE     -    Bi4(SiO3)3

 

Crystal Structure 


Because of the translational symmetry all the calculations are performed in the primitive unit cell and not in the conventional unit cell. The following information regarding the structure is given with respect to this primitive unit cell, which sometimes can take an unintuitive shape.

Symmetry (experimental): 

Space group:  220  I-43d 
Lattice parameters (Å):  10.2867  10.2867  10.2867 
Angles (°):  90  90  90 

Symmetry (theoretical): 

Space group:  220  I-43d 
Lattice parameters (Å):  8.6317  8.6317  8.6317 
Angles (°):  109.47  109.47  109.47 

Cell contents: 

Number of atoms:  38 
Number of atom types: 
Chemical composition: 

Atomic positions (theoretical):

Bi:  0.1613  0.1613  0.1613 
Si:  0.2500  0.6250  0.3750 
O:  0.4161  0.3484  0.1907 
Si:  0.3750  0.2500  0.6250 
O:  0.1907  0.4161  0.3484 
Bi:  0.5000  0.0000  0.3387 
Si:  0.7500  0.8750  0.1250 
O:  0.6577  0.2254  0.3093 
Bi:  0.0000  0.3387  0.5000 
O:  0.8423  0.1516  0.5676 
Bi:  0.6613  0.6613  0.6613 
Si:  0.1250  0.7500  0.8750 
O:  0.8484  0.9161  0.6907 
Si:  0.6250  0.3750  0.2500 
O:  0.3484  0.1907  0.4161 
Bi:  0.3387  0.5000  0.0000 
O:  0.3093  0.6577  0.2254 
O:  0.5676  0.8423  0.1516 
Si:  0.8750  0.1250  0.7500 
O:  0.6907  0.8484  0.9161 
O:  0.0839  0.2746  0.9324 
Bi:  0.5000  0.0000  0.8387 
O:  0.7254  0.1577  0.8093 
O:  0.9324  0.0839  0.2746 
Bi:  0.0000  0.8387  0.5000 
O:  0.7746  0.5839  0.4324 
O:  0.9161  0.6907  0.8484 
Bi:  0.8387  0.5000  0.0000 
O:  0.6516  0.3423  0.0676 
O:  0.2254  0.3093  0.6577 
O:  0.1516  0.5676  0.8423 
O:  0.8093  0.7254  0.1577 
O:  0.2746  0.9324  0.0839 
O:  0.4324  0.7746  0.5839 
O:  0.0676  0.6516  0.3423 
O:  0.3423  0.0676  0.6516 
O:  0.1577  0.8093  0.7254 
O:  0.5839  0.4324  0.7746 
Atom type 

We have listed here the reduced coordinates of all the atoms in the primitive unit cell.
It is enough to know only the position of the atoms from the assymetrical unit cell and then use the symmetry to build the whole crystal structure.

Visualization of the crystal structure: 

Size:

  
Nx:  Ny:  Nz:    
You can define the size of the supercell to be displayed in the jmol panel as integer translations along the three crys­tallo­gra­phic axis.
Please note that the structure is represented using the pri­mi­tive cell, and not the conventional one.