-    NORBERGITE     -    Mg3SiO4F2

 

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:  62  Pbnm 
Lattice parameters (Å):  4.7104  10.2718  8.7476 
Angles (°):  90  90  90 

Symmetry (theoretical): 

Space group:  62  Pbnm 
Lattice parameters (Å):  4.6341  10.0634  8.5658 
Angles (°):  90  90  90 

Cell contents: 

Number of atoms:  40 
Number of atom types: 
Chemical composition: 

Atomic positions (theoretical):

Mg:  0.9910  0.6321  0.4299 
Mg:  0.9929  0.9059  0.2500 
Si:  0.4205  0.7199  0.2500 
O:  0.7651  0.7210  0.2500 
O:  0.2768  0.5729  0.2500 
O:  0.2665  0.7919  0.1021 
F:  0.7268  0.9666  0.0849 
Mg:  0.4910  0.8679  0.5701 
Mg:  0.4929  0.5941  0.7500 
Si:  0.9205  0.7801  0.7500 
O:  0.2651  0.7790  0.7500 
O:  0.7768  0.9271  0.7500 
O:  0.7665  0.7081  0.8979 
F:  0.2268  0.5334  0.9151 
Mg:  0.0090  0.3679  0.9299 
Mg:  0.0071  0.0941  0.7500 
Si:  0.5795  0.2801  0.7500 
O:  0.2349  0.2790  0.7500 
O:  0.7232  0.4271  0.7500 
O:  0.7335  0.2081  0.6021 
F:  0.2732  0.0334  0.5849 
Mg:  0.5090  0.1321  0.0701 
Mg:  0.5071  0.4059  0.2500 
Si:  0.0795  0.2199  0.2500 
O:  0.7349  0.2210  0.2500 
O:  0.2232  0.0729  0.2500 
O:  0.2335  0.2919  0.3979 
F:  0.7732  0.4666  0.4151 
Mg:  0.0090  0.3679  0.5701 
O:  0.7335  0.2081  0.8979 
F:  0.2732  0.0334  0.9151 
Mg:  0.5090  0.1321  0.4299 
O:  0.2335  0.2919  0.1021 
F:  0.7732  0.4666  0.0849 
Mg:  0.9910  0.6321  0.0701 
O:  0.2665  0.7919  0.3979 
F:  0.7268  0.9666  0.4151 
Mg:  0.4910  0.8679  0.9299 
O:  0.7665  0.7081  0.6021 
F:  0.2268  0.5334  0.5849 
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.