Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

_cell_volume

Name:
'_cell_volume'

Definition:

   Cell volume V in angstroms cubed.

   V = a b c [1 - cos^2^(alpha) - cos^2^(beta) - cos^2^(gamma)
               + 2 cos(alpha) cos(beta) cos(gamma) ] ^1/2^

   a     = _cell_length_a
   b     = _cell_length_b
   c     = _cell_length_c
   alpha = _cell_angle_alpha
   beta  = _cell_angle_beta
   gamma = _cell_angle_gamma


The permitted range is 0.0 -> infinity

Type: numb

Category: cell


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.