Strukturbericht designation

In crystallography, a Strukturbericht designation or Strukturbericht type is a system of detailed crystal structure classification by analogy to another known structure. The designations were intended to be comprehensive but are mainly used as supplement to space group crystal structures designations, especially historically. 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. While Strukturbericht symbols exist for many of the earliest observed and most common crystal structures, the system is not comprehensive, and is no longer being updated. Modern databases such as Inorganic Crystal Structure Database index thousands of structure types directly by the prototype compound. These are essentially equivalent to the old Stukturbericht designations.

History

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. These reports were collected into a book published in 1931 by Paul Peter Ewald and Carl Hermann which became Volume 1 of Strukturbericht. While the series was continued after the war under the name Structure reports, which was published through 1990, the series stopped generating new symbols. Instead, some new additional designations were given in books by Smithels, and Pearson.
For the first volume, the designation consisted of a capital letter specifying a broad category of compounds, and then a number to specify a particular crystal structure. In the second volume, subscript numbers were added, some early symbols were modified, and the categories were modified. In the third volume, the class I was renamed J. Later designations began to use a lower case letter in subscripts as well.

A-compounds

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

Strukturbericht designation	Diagram	Prototype	Space group	Description
A1		Cu	Fmm	Cubic close-packed structure
A2		W	Imm	Body-centered cubic structure
A3		Mg	P6₃/mmc	Hexagonal close-packed structure
A3'		α-La	P6₃/mmc	α-La structure
A4		C	Fdm	Diamond cubic structure
A5		β-Sn	I4₁/amd
A6		Indium	I4/mmm	Indium structure
A7		α-As	Rm
A8		gray Se	P3₁21	Also called γ-Se, but that term is also used for a monoclinic form.
A9		C	P6₃/mmc	Hexagonal graphite structure
A10		α-Hg	Rm
A11		α-Ga	Cmca	α-Gallium structure
A12		α-Mn	I3m	α-Manganese structure
A13		β-Mn	P4₁32	β-Manganese structure
A14		I₂	Cmca	Molecular iodine structure
A15		β-W	Pmn	Weaire–Phelan structure
A16		α-S	Fddd
A17		P	Cmca	Black phosphorus structure
A18		Cl	P4₂/ncm	Incorrect structure
A19 → A_i, A_h		Po	C2
A20		α-U	Cmcm
A_a		α-Pa	I4/mmm
A_b		β-U	P4₂/mnm	σ phase
A_c		α-Np	Pnma
A_d		β-Np	P4/nmm
A_f		γ-HgSn_6-10	P6/mmm
A_g		B	P4₂/nnm
A_h		α-Po	Pmm	Simple cubic structure
A_i		β-Po	Rm
A_k		γ-monoclinic Se	P2₁/c
A_l		β-monoclinic Se	P2₁/c

B-compounds

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

Strukturbericht designation	Diagram	Prototype	Space group	Description
B1		NaCl	Fmm	Rock salt structure
B2		CsCl	Pmm	caesium chloride structure
B3		ZnS	F3m	Zincblende structure
B4		ZnS	P6₃mc	Wurtzite crystal structure
B5		4H SiC	P6₃mc	Moissanite structure
B6		6H SiC	P6₃mc	Moissanite structure
B7		Si-C 15R	R3m	15R-SiC structure
B8 → B8₁
B8₁		NiAs	P6₃/mmc	Nickeline structure
B8₂		Ni₂In	P6₃/mmc
B9		α-HgS	P3₂21	Cinnabar structure
B10		PbO	P4/nmm	Lead oxide/Litharge structure
B11		γ-CuTi	P4/nmm
B12 → B_k		BN	P6₃mc	Originally reported boron nitride structure
B13		β-NiS	R3m	β-Nickel sulfide/Millerite structure
B14		FeAs	Pnma	Westerveldite structure
B15 → B27
B16		GeS	Pnma	Germanium sulfide/Herzenbergite structure
B17		PtS	P4₂/mmc	Platinum sulfide/Cooperite structure
B18		CuS	P6₃/mmc	Copper monosulfide/Covellite structure
B19		β′-AuCd	Pmma	The martensitic β′-AuCd structure
B20		FeSi	P2₁3	FeSi/Fersilicite structure
B21		α-CO	P2₁3	α-Carbon monoxide structure
B24		TlF-II	Fmmm	Originally reported Thallium fluoride structure
B26		CuO	C2/c	Copper oxide/Tenorite structure
B27		FeB	Pnma	Iron boride structure
B28 → B20
B29 → B16		SnS	Pnma	Tin sulfide structure
B30		MgZn	Imm2
B31 → B14		MnP	Pnma
B32		NaTl	Fdm
B33		CrB	Cmcm	Chromium boride structure
B34		PdS	P4₂/m	Palladium sulfide structure
B35		CoSn	P6/mmm
B37		SeTl	I4/mcm
B_a		CoU	I2₁3
B_b		ζ-AgZn	P
B_c → B33		CaSi	Cmcm
B_d		η-NiSi
B_e		CdSb	Pbca
B_f → B33		CrB
B_g		MoB	I4₁/amd	Molybdenum boride structure
B_h		WC	Pm2	Tungsten carbide structure
B_i		AsTi	P6₃/mmc
B_k		BN	P6₃/mmc	Boron nitride structure
B_l		AsS
B_m		TiB

C-compounds

'C' designates compounds of the stoichiometry AB₂.

Strukturbericht designation	Diagram	Prototype	Space group	Description
C1		CaF₂	Fmm	Fluorite structure
C1_b		AgAsMg	F3m	Half Heusler structure
C2		FeS₂	Pa	Pyrite structure
C3		Cu₂O	Pnm	Cuprite structure
C4		TiO₂	P4₂/mnm	Rutile structure
C5		TiO₂	I4₁/amd	Anatase structure
C6		CdI₂	Pm1	Cadmium iodide structure
C7		MoS₂	P6₃/mmc	Molybdenum disulfide structure
C8		β-SiO₂	P6₂22	β-Quartz structure
C9		β-Cristobalite	Fdm	Idealized β-Cristobalite structure
C10		β-Tridymite	P6₃/mmc	β-Tridymite structure
C11 → C11_a,C11_b
C11_a		CaC₂	I4/mmm
C11_b		MoSi₂	I4/mmm	Molybdenum disilicide structure
C12		CaSi₂	Rm
C13		HgI₂	P4₂/nmc	Coccinite structure
C14		MgZn₂	P6₃/mmc	MgZn₂ Laves phase
C15		MgCu₂	Fdm	MgCu₂ Laves phase
C15_b		AuBe₅	F3m
C16		CuAl₂	I4/mcm	Khatyrkite structure
C18		FeS₂	Pnnm	Marcasite structure
C19		α-Sm	Rm	α-Samarium structure
C21		TiO₂	Pbca	Brookite structure
C22		Fe₂P	P321 P2m
C23		PbCl₂	Pnma	Cotunnite structure
C24		HgBr₂	Cmc2₁	Mercury bromide structure
C25 → C28		HgCl₂	Pnma	Mercury chloride structure
C27		CdI₂	P6₃mc
C28		HgCl₂
C29 → C23		SrH₂	Pnma	Strontium hydride structure
C30		SiO₂	P4₁2₁2	α–Cristobalite structure
C32		AlB₂	P6/mmm	Aluminium diboride structure
C33		Bi₂Te₃	Rm	Bismuth telluride structure
C34		AuTe₂	C2/m
C35		CaCl₂	Pnnm	Calcium chloride structure
C36		MgNi₂	P6₃/mmc	MgNi₂ Laves phase
C37		Co₂Si	Pnma
C38		Cu₂Sb	P4/nmm
C39 → C15
C40		CrSi₂	P6₂22
C41 → C14
C42		SiS₂	Ibam	Silicon disulfide structure
C43		ZrO₂	P2₁/c	Baddeleyite structure
C44		GeS₂	Fdd2	Germanium disulfide structure
C46		AuTe₂	Pma2	Krennerite structure
C47		SeO₂	P4₂/mbc	Selenium dioxide structure
C48 → C11_b
C49		ZrSi₂	Cmcm
C50		PdCl₂	Pnnm	α-Palladium chloride structure
C51 → C16
C53		Sr Br₂	P4/n
C54		TiSi₂	Fddd	Titanium disilicide structure
C_a		Mg₂Ni	P6₂22
C_b		CuMg₂	Fddd
C_c		ThSi₂	I4₁/amd
C_e		PdSn₂	Aba2
C_g		ThC₂	C2/c
C_h		Cu₂Te	P6/mmm
C_k		LiZn₂