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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
Category ATOM_SITES_FRACT_TRANSFORM
Name:'ATOM_SITES_FRACT_TRANSFORM'
Parent category:
ATOM_SITES
Definition:
The category of data items which describe the matrix elements
used to transform Cartesian coordinates into fractional coordinates
of all atom sites in a crystal structure.
Category is of type Set
This category contains the following items
- _atom_sites_fract_transform.axes
- _atom_sites_fract_transform.mat_11
- _atom_sites_fract_transform.mat_11_su
- _atom_sites_fract_transform.mat_12
- _atom_sites_fract_transform.mat_12_su
- _atom_sites_fract_transform.mat_13
- _atom_sites_fract_transform.mat_13_su
- _atom_sites_fract_transform.mat_21
- _atom_sites_fract_transform.mat_21_su
- _atom_sites_fract_transform.mat_22
- _atom_sites_fract_transform.mat_22_su
- _atom_sites_fract_transform.mat_23
- _atom_sites_fract_transform.mat_23_su
- _atom_sites_fract_transform.mat_31
- _atom_sites_fract_transform.mat_31_su
- _atom_sites_fract_transform.mat_32
- _atom_sites_fract_transform.mat_32_su
- _atom_sites_fract_transform.mat_33
- _atom_sites_fract_transform.mat_33_su
- _atom_sites_fract_transform.matrix
- _atom_sites_fract_transform.matrix_su
- _atom_sites_fract_transform.vec_1
- _atom_sites_fract_transform.vec_1_su
- _atom_sites_fract_transform.vec_2
- _atom_sites_fract_transform.vec_2_su
- _atom_sites_fract_transform.vec_3
- _atom_sites_fract_transform.vec_3_su
- _atom_sites_fract_transform.vector
- _atom_sites_fract_transform.vector_su
