Strukturbericht designation

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Jump to navigation Jump to search In crystallography, a Strukturbericht designation or Strukturbericht type is a system of detailed crystal structure classification by analogy to another known structure. The designations are intended to be a comprehensive designation for crystal structures. The designations were established by the journal Zeitschrift für Kristallographie – Crystalline Materials, which published its first round of supplemental reviews under the name Strukturbericht from 1913-1928.^[1] The series was continued after the war under the name Structure reports, which was published through 1990.^[2] The system is mainly used as a supplement to space group designations.^[3][4]
The designation begins with a capital letter specifying a broad category of compounds, and then further letters, numbers, and subscript numbers specifying a particular crystal structure. Each Strukturbericht designation is described by a single space group, but the designation includes additional information about the positions of the individual atoms, rather than just the symmetry of the crystal structure.

A-compounds

The 'A' compounds are reserved for structures made up of atoms of all the same chemical element.

A compounds

Strukturbericht designation	Diagram	Prototype	Space group	Description
A1		Cu	Fm3m	Face-centered cubic structure
A2		W	Im3m	Body-centered cubic structure
A3		Mg	P63/mmc	Hexagonal close-packed
A4		C (diamond)	Fd3m	Diamond cubic structure
A9		C (graphite)	P63/mmc	Hexagonal graphite structure
A14		I2	Cmca	Molecular iodine structure
A15		β-W	Pm3n	Weaire–Phelan structure
A17		P	Cmca	Black phosphorus structure
Ah		α-Po	Pm3m	Simple cubic structure

B-compounds

'B' designates compounds of two elements with equal numbers of atoms.

B compounds

Strukturbericht designation	Diagram	Prototype	Space group	Description
B1		NaCl	Fm3m	Rock salt structure
B2		CsCl	Pm3m	Cesium chloride structure
B3		ZnS	F43m	Zincblende structure
B4		ZnS	P63mc	Wurtzite crystal structure

C-compounds

'C' designates compounds of the stoichiometry AB₂.

C compounds

Strukturbericht designation	Diagram	Prototype	Space group	Description
C1		CaF2	Fm3m	Fluorite structure
C2		FeS2	Pa3	Pyrite structure
C3		Cu2O	Pn3m	Cuprite structure
C4		TiO2	P42mnm	Rutile structure
C5		TiO2	I41/amd	Anatase structure

D-compounds

'D' designates compounds of arbitrary stoichiometry.

D compounds

Strukturbericht designation	Diagram	Prototype	Space group	Description
D51		Al2O3	R3c	Corrundum structure

E to K compounds

Letters between 'E' and 'K' designate more complex compounds.

E through K compounds

Strukturbericht designation	Diagram	Prototype	Space group	Description
E11		CuFeS2	I42d	Chalcopyrite structure
E22		CaTiO3	Pm3m	Cubic perovskite structure
H11		Al2MgO4	Fd3m	Spinel structure

L-compounds

'L' designates alloys.

L compounds

Strukturbericht designation	Diagram	Prototype	Space group	Description
L12		Cu3Au	Pm3m	Cu3Au structure