Core dictionary version 3.0.14
_atom_sites_fract_transform.matrix
Name:_atom_sites_fract_transform.matrix
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_fract_transform.axes. The 3 x 1 translation is defined in _atom_sites_fract_transform.vector. x' |11 12 13| x | 1 | ( y' )fractional = mat |21 22 23| * ( y ) Cartesian + 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
Values appear in Matrix context.
Dimension: [3,3]
Evaluation method:
With a as atom_sites_fract_transform _atom_sites_fract_transform.matrix = [[a.mat_11, a.mat_12, a.mat_13], [a.mat_21, a.mat_22, a.mat_23], [a.mat_31, a.mat_32, a.mat_33]]
Category:
atom_sites_fract_transform