Crystallographic Information Framework

[CIF logo]

Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category EXPTL_CRYSTAL_FACE

Name:
'exptl_crystal_face'

Description:

   Data items in the EXPTL_CRYSTAL_FACE category record details
   of the crystal faces.

Example:

Example 1 - based on laboratory records for Yb(S-C5H4N)2(THF)4 for the 100 face of crystal xstl1. 
 
    _exptl_crystal_face.crystal_id     xstl1
    _exptl_crystal_face.index_h        1
    _exptl_crystal_face.index_k        0
    _exptl_crystal_face.index_l        0
    _exptl_crystal_face.diffr_chi      42.56
    _exptl_crystal_face.diffr_kappa    30.23
    _exptl_crystal_face.diffr_phi      -125.56
    _exptl_crystal_face.diffr_psi      -0.34
    _exptl_crystal_face.perp_dist      0.025


Category groups:
    inclusive_group
    exptl_group
Category keys:
    _exptl_crystal_face.crystal_id
    _exptl_crystal_face.index_h
    _exptl_crystal_face.index_k
    _exptl_crystal_face.index_l

Mandatory category: no


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.