# Reflection conditions

### From Online Dictionary of Crystallography

Conditions de réflexion (*Fr*).

## Definition

The reflection conditions describe the conditions of occurence of a reflection (structure factor not systematically zero). There are two types of systematic reflection conditions for diffraction of crystals by radiation:

(1) *General conditions*. They apply to all Wyckoff positions of a space group, *i.e.* they are always obeyed, irrespective of which Wyckoff positions are occupied by atoms in a particular crystal structure. They are due to one of three effects:

*Centred cells*.

The resulting conditions apply to the whole three-dimensional set of reflections hkl. Accordingly, they are called *integral reflection conditions*. They are given in Table 1.

*Glide planes*.

The resulting conditions apply only to twodimensional sets of reflections, *i.e.* to reciprocal-lattice nets containing the origin (such as hk0, h0l, 0kl, hhl). For this reason,
they are called *zonal reflection conditions*. For instance, for a glide plane parallel to (001):

type of reflection | reflection condition | glide vector | glide plane |
---|---|---|---|

0kl | k = 2 n | b/2 | b |

l = 2 n | c/2 | c | |

k + l = 2 n | b/2 + c/2 | n | |

k + l = 4 nk, l = 2n | b/4 ± c/4 | d |

The zonal reflection conditions are listed in Table 2.2.13.2 of *International Tables of Crystallography, Volume A*.

*Screw axes*.

The resulting conditions apply only to onedimensional sets of reflections, *i.e.* reciprocal-lattice rows containing the origin (such as h00, 0k0, 00l). They are called *serial reflection conditions*. For instance, for a screw axis parallel to [001], the reflection conditions are:

type of reflection | reflection condition | screw vector | screw axis |
---|---|---|---|

00l | l = 2 n | c/2 | 2_{1}; 4_{2} |

l = 4 n | c/4 | 4_{1}; 4_{3} | |

000l | l = 2 n | c/2 | 6_{3} |

l = 3 n | c/3 | 4_{1}; 3_{1}; 3_{2}; 6_{2}; 6_{4} | |

l = 6 n | c/6 | 6_{1};6_{5} |

The serial reflection conditions are listed in Table 2.2.13.2 of *International Tables of Crystallography, Volume A*.

(2) *Special conditions* (‘extra’ conditions). They apply only to special Wyckoff positions and occur always in addition to the general conditions of the space group.

## See also

Section 2.2.13 of *International Tables of Crystallography, Volume A*