Crystallographic Information Framework

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Core dictionary version 3.0.14

_cell.orthogonal_matrix

Name:
_cell.orthogonal_matrix

Definition:

   
     Orthogonal matrix of the crystal unit cell. Definition 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

Values appear in Matrix context.

Dimension: [3,3]

Evaluation method:

     With c as cell
    _cell.orthogonal_matrix =   [
          [  c.length_a*Sind(c.angle_beta)*Sind(c.reciprocal_angle_gamma), 0,                                0 ],
          [ -c.length_a*Sind(c.angle_beta)*Cosd(c.reciprocal_angle_gamma), c.length_b*Sind(c.angle_alpha),   0 ],
          [  c.length_a*Cosd(c.angle_beta),                                c.length_b*Cosd(c.angle_alpha), c.length_c ]]

Category:
cell