Actions

Difference between revisions of "Reflection conditions"

From Online Dictionary of Crystallography

m (Style edits to align with printed edition)
(better Japanese translation: 消滅則(systematic absences) -> 回折条件(reflection conditions))
 
(3 intermediate revisions by 2 users not shown)
Line 1: Line 1:
<Font color="blue"> Conditions de réflexion </Font> (''Fr''). <Font color="black"> Condizioni di diffrazione </Font> (''It''). <Font color="purple"> 消滅則 </Font> (''Ja'').
+
<font color="blue">Conditions de réflexion</font> (''Fr''). <font color="red">Auslöschungsgesetze</font> (''Ge''). <font color="black">Condizioni di diffrazione</font> (''It''). <font color="purple">回折条件</font> (''Ja''). <font color="green">Ausencias sistemáticas</font> (''Sp'').
 +
 
  
 
== Definition ==
 
== Definition ==
Line 11: Line 12:
  
 
<table border cellspacing=0 cellpadding=5 align=center>
 
<table border cellspacing=0 cellpadding=5 align=center>
<caption align=top> '''Table 1. Integral reflection conditions for centred lattices.''' </caption>
+
<caption align=top> '''Table 1. Integral reflection conditions for centred cells.''' </caption>
 
<tr align=left>
 
<tr align=left>
 
<th>Reflection<br> condition </th>
 
<th>Reflection<br> condition </th>
Line 50: Line 51:
 
<tr align=left>
 
<tr align=left>
 
<td> ''h'' &minus; ''k'' = 3''n''</td> <td>hexagonally centred</td> <td> ''H''</td></tr>
 
<td> ''h'' &minus; ''k'' = 3''n''</td> <td>hexagonally centred</td> <td> ''H''</td></tr>
 +
<tr align=left>
 +
<td> ''h'' + ''k'' + ''l'' = 3''n''</td> <td> D centred</td><td>D</td></tr>
 
</table>
 
</table>
  
Line 88: Line 91:
 
The serial reflection conditions are listed in Table 2.1.3.7 of ''International Tables for Crystallography, Volume A'', 6th edition.  
 
The serial reflection conditions are listed in Table 2.1.3.7 of ''International Tables for Crystallography, Volume A'', 6th edition.  
  
(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.
+
(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 ==
 
==See also ==
  
Section 1.6.4 of ''International Tables for Crystallography, Volume A'', 6th edition
+
*Chapter 1.6.4 of ''International Tables for Crystallography, Volume A'', 6th edition
  
[[Category:X-rays]]<br>
+
[[Category:X-rays]]

Latest revision as of 15:59, 24 February 2019

Conditions de réflexion (Fr). Auslöschungsgesetze (Ge). Condizioni di diffrazione (It). 回折条件 (Ja). Ausencias sistemáticas (Sp).


Definition

The reflection conditions describe the conditions of occurrence 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.

Table 1. Integral reflection conditions for centred cells.
Reflection
condition
Centring type of cell Centring symbol
None Primitive P
R (rhombohedral axes)
h + k = 2n C-face centred C
k + l = 2n A-face centred A
l + h = 2n B-face centred B
h + k + l = 2n body centred I
h + k, h + l and

k + l = 2n or:
h, k, l all odd or all

even (‘unmixed’)
all-face centred F
h + k + l = 3n rhombohedrally

centred, obverse

setting (standard)
R (hexagonal axes)
hk + l = 3n rhombohedrally

centred, reverse

setting
hk = 3n hexagonally centred H
h + k + l = 3n D centredD
  • Glide planes

The resulting conditions apply only to two-dimensional 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 reflectionReflection condition Glide vectorGlide plane
0kl k = 2 n b/2 b
l = 2 nc/2 c
k + l = 2 nb/2 + c/2 n
k + l = 4 n
k, l = 2n
b/4 ± c/4 d

The zonal reflection conditions are listed in Table 2.1.3.7 of International Tables for Crystallography, Volume A, 6th edition.

  • Screw axes

The resulting conditions apply only to one-dimensional 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 reflectionReflection condition Screw vectorScrew axis
00l l = 2 n c/2 21; 42
l = 4 nc/4 41; 43
000l l = 2 n c/2 63
l = 3 n c/3 41; 31; 32; 62; 64
l = 6 nc/661;65

The serial reflection conditions are listed in Table 2.1.3.7 of International Tables for Crystallography, Volume A, 6th edition.

(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

  • Chapter 1.6.4 of International Tables for Crystallography, Volume A, 6th edition