Index

Core dictionary version 3.0.14

_atom_sites_Cartn_transform.mat_21

Definition:

   
     Matrix used to transform fractional coordinates in the ATOM_SITE
     category to Cartesian  coordinates. The axial alignments of this
     transformation are described in _atom_sites_Cartn_transform.axes.
     The 3x1 translation is defined in _atom_sites_Cartn_transform.vector.

   x'                  |11 12 13|     x                  | 1 |
     ( y' )Cartesian  = mat|21 22 23| * ( y )fractional + vec| 2 |
   z'                  |31 32 33|     z                  | 3 |

     The default transformation matrix uses Rollet's axial
     assignments with cell vectors a,b,c aligned with orthogonal
     axes X,Y,Z so that c||Z and b in plane YZ.

Type: Real

Units: reciprocal_angstroms

Definition method:

     with c as cell
 
    _enumeration.default =  -c.length_a*Sind(c.angle_beta)*Cosd(c.reciprocal_angle_gamma)

Category:
atom_sites_Cartn_transform