Core dictionary (coreCIF)

Hall, Sydney R.; Allen, Frank H.; Brown, I. David; Toby, Brian H.; Hester, James R.; Vaitkus, Antanas; Rowles, Matthew R.; Bollinger, John C.; Rainer, Daniel N.; McMahon, Brian

doi:10.1107/97809553602060001011

RELATED SITES: IUCr | IUCr Journals

International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by J. R. Hester and B. McMahon

International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011

Chapter 4.2 Core dictionary (coreCIF)

CIF_CORE_HEAD > DIFFRACTION > DIFFRN > CELL

Index

Core dictionary version 3.3.0

_cell.metric_tensor

Name:
_cell.metric_tensor

Definition:

   
    The direct space (covariant) metric tensor used to transform
    vectors and coordinates from real (direct) to reciprocal space.

Type: Real

Values appear in Matrix context.

Dimension: [3,3]

Units: angstrom_squared

Evaluation method:

    with c  as  cell

          _cell.metric_tensor = [[ c.vector_a*c.vector_a,
    c.vector_a*c.vector_b, c.vector_a*c.vector_c ],
     [ c.vector_b*c.vector_a, c.vector_b*c.vector_b, c.vector_b*c.vector_c ],
                               [ c.vector_c*c.vector_a, c.vector_c*c.vector_b,
    c.vector_c*c.vector_c ]]

Category:
cell

International Tables for Crystallography (2026). Vol. G. Chapter 4.2
https://doi.org/10.1107/97809553602060001011