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 > MODEL > GEOM > GEOM_BOND

Index

Core dictionary version 3.3.0

_geom_bond.valence

Name:
_geom_bond.valence

Alias:
_geom_bond_valence

Definition:

   
    Valence assigned to the bond between the listed sites
    calculated according to the bond-valence model
    (Brown, 2002) from the bond distance.

    Reference: Brown, I. D. (2002). The Chemical Bond in Inorganic Chemistry:
     the Bond-Valence Model, eq. (3.1). Oxford: Oxford University Press.

Type: Real

Units: valence_units

The permitted range is 0.0 → 10.0

Category:
geom_bond

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