Difference between revisions of "Flack parameter"
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== Definition == | == Definition == | ||
| − | The Flack parameter is the molar fraction < | + | The Flack parameter is the molar fraction <math>x</math> in the defining equation <math>C=(1-x)X + x\bar X</math>, where <math>C</math> represents an oriented two-domain-structure crystal, twinned by inversion, consisting of an oriented domain structure <math>X</math> and an oriented inverted domain structure <math>\bar X</math>. In reciprocal space, the Flack parameter <math>x</math> is defined by the structure-amplitude equation |
<math>G^2(h,k,l,x)=(1-x)|F(h,k,l)|^2 + x|F(-h, -k, -l)|^2</math>. | <math>G^2(h,k,l,x)=(1-x)|F(h,k,l)|^2 + x|F(-h, -k, -l)|^2</math>. | ||
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== Related chemical terms == | == Related chemical terms == | ||
| − | The [http://www.chem.qmul.ac.uk/iupac/stereo/ IUPAC ''Basic Terminology of Stereochemistry''] contains definitions of related chemical terms of use to the crystallographer, ''viz'': ''absolute configuration'', ''chiral'', ''chirality'', ''chirality sense'', ''enantiomer'', ''enantiomerically pure'', ''enantiomorph'', ''racemate'', ''racemic'', ''racemic conglomerate'' and ''relative configuration''. | + | The [http://www.chem.qmul.ac.uk/iupac/stereo/ IUPAC ''Basic Terminology of Stereochemistry''] contains definitions of related chemical terms of use to the crystallographer, ''viz'': [http://www.chem.qmul.ac.uk/iupac/stereo/A.html#01 ''absolute configuration''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#16 ''chiral''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#17 ''chirality''], [http://www.chem.qmul.ac.uk/iupac/stereo/BC.html#22 ''chirality sense''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#24 ''enantiomer''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#28 ''enantiomerically pure''], [http://www.chem.qmul.ac.uk/iupac/stereo/DE.html#32 ''enantiomorph''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#06 ''racemate''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#07 ''racemic''], [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#09 ''racemic conglomerate''] and [http://www.chem.qmul.ac.uk/iupac/stereo/RS.html#14 ''relative configuration'']. |
Revision as of 12:57, 14 February 2006
Definition
The Flack parameter is the molar fraction [math]x[/math] in the defining equation [math]C=(1-x)X + x\bar X[/math], where [math]C[/math] represents an oriented two-domain-structure crystal, twinned by inversion, consisting of an oriented domain structure [math]X[/math] and an oriented inverted domain structure [math]\bar X[/math]. In reciprocal space, the Flack parameter [math]x[/math] is defined by the structure-amplitude equation
[math]G^2(h,k,l,x)=(1-x)|F(h,k,l)|^2 + x|F(-h, -k, -l)|^2[/math].
For a multidomain-structure twin of a chiral crystal structure, an equivalent Flack parameter may be calculated according to the method of Flack and Bernardinelli (1999).
Related chemical terms
The IUPAC Basic Terminology of Stereochemistry contains definitions of related chemical terms of use to the crystallographer, viz: absolute configuration, chiral, chirality, chirality sense, enantiomer, enantiomerically pure, enantiomorph, racemate, racemic, racemic conglomerate and relative configuration.