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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
_atom_site_aniso.matrix_B
Name:_atom_site_aniso.matrix_B
Definition:
The symmetric anisotropic atomic displacement matrix B.
Type: Real
Values appear in Matrix context.
Dimension: [3,3]
Units: angstrom_squared
Evaluation method:
With a as atom_site_aniso
a.matrix_B = [[ a.B_11, a.B_12, a.B_13 ],
[ a.B_12, a.B_22, a.B_23 ],
[ a.B_13, a.B_23, a.B_33 ]]
Category:
atom_site_aniso
