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exist for many of the earliest observed and most common crystal structures, the system is not comprehensive, and is no longer being updated.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 (i.e. "the NaCl structure" instead of "the B1 structure"). 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 (A,B,C,D,E,F,G,H,L,M,O) 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 (e.g., what was initially D1 became D01, noted in the tables below as "D1 → D01"), and the categories were modified (types I,K,S were added). 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.

+ A compounds Strukturbericht designation Diagram Prototype Space group Description A1 Cu Fmm Cubic close-packed structure (also: Face-centered cubic structure) A2 W Imm Body-centered cubic structure A3 Mg P63/mmc Hexagonal close-packed structureA3'α-LaP63/mmcα-La structure (ABAC Barlow packing) A4 C (diamond) Fdm Diamond cubic structureA5β-SnI41/amd A6 Indium I4/mmm Indium structureA7α-AsRmA8 gray SeP3121Also called γ-Se,but that term is also usedfor a monoclinic form. A9 C (graphite) P63/mmc Hexagonal graphite structureA10α-HgRmA11α-GaCmca α-Gallium structureA12α-MnI3mα-Manganese structureA13β-MnP4132β-Manganese structure A14 I2 Cmca Molecular iodine structure A15 β-W Pmn Weaire–Phelan structureA16α-SFddd A17 P Cmca Black phosphorus structureA18ClP42/ncmIncorrect structureA19 → Ai, AhPo (incorrectly)C2A20α-UCmcmAaα-PaI4/mmmAbβ-UP42/mnmσ phaseAcα-NpPnmaAdβ-NpP4/nmmAfγ-HgSn6-10P6/mmmAgBP42/nnm Ah α-Po Pmm Simple cubic structureAiβ-PoRmAkγ-monoclinic SeP21/cAlβ-monoclinic SeP21/c

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

+ B compounds 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 structureB54H SiCP63mcMoissanite (4H polytype) structureB66H SiCP63mcMoissanite(6H polytype) structureB7Si-C 15RR3m15R-SiC structureB8 → B81B81NiAsP63/mmc Nickeline structureB82Ni2InP63/mmcB9α-HgSP3221Cinnabar structureB10PbOP4/nmmLead(II) oxide/Litharge structureB11γ-CuTiP4/nmmB12 → BkBN (incorrectly)P63mcOriginally reported boron nitride structureB13β-NiSR3mβ-Nickel sulfide/Millerite structureB14FeAsPnmaWesterveldite structureB15 → B27B16GeSPnmaGermanium(II) sulfide/Herzenbergite structureB17PtSP42/mmcPlatinum(II) sulfide/Cooperite structureB18CuSP63/mmcCopper monosulfide/Covellite structureB19β′-AuCdPmmaThe martensitic β′-AuCd structureB20FeSiP213FeSi/Fersilicite structureB21α-COP213α-Carbon monoxide structureB24TlF-II (incorrectly)FmmmOriginally reported Thallium(I) fluoride structureB26CuOC2/cCopper(II) oxide/Tenorite structureB27FeBPnmaIron boride structureB28 → B20B29 → B16SnS (incorrectly)PnmaTin(II) sulfide structureB30MgZnImm2B31 → B14MnPPnmaB32NaTlFdmB33CrBCmcmChromium(III) boride structureB34PdSP42/mPalladium(II) sulfide structureB35CoSnP6/mmmB37SeTlI4/mcmBaCoUI213Bbζ-AgZnPBc → B33CaSiCmcmBdη-NiSiBeCdSbPbcaBf → B33CrB(duplicate of B33)BgMoBI41/amdMolybdenum boride structureBhWCPm2Tungsten carbide structureBiAsTiP63/mmcBkBNP63/mmcBoron nitride structureBlAsSBmTiB

C-compounds 'C' designates compounds of the stoichiometry AB2.

+ C compounds Strukturbericht designation Diagram Prototype Space group Description C1 CaF2 FmmFluorite structureC1bAgAsMgF3m Half Heusler structure C2 FeS2 Pa Pyrite structure C3 Cu2O Pnm Cuprite structure C4 TiO2 P42/mnm Rutile structure C5 TiO2 I41/amd Anatase structureC6CdI2Pm1Cadmium iodide structureC7MoS2P63/mmcMolybdenum disulfide structureC8β-SiO2P6222β-Quartz structureC9β-CristobaliteFdmIdealized β-Cristobalite structureC10β-TridymiteP63/mmcβ-Tridymite structureC11 → C11a,C11bC11aCaC2I4/mmmC11bMoSi2I4/mmmMolybdenum disilicide structureC12CaSi2RmC13HgI2P42/nmcCoccinite structureC14MgZn2P63/mmc MgZn2 Laves phaseC15MgCu2Fdm MgCu2 Laves phaseC15bAuBe5F3mC16CuAl2I4/mcmKhatyrkite structureC18FeS2PnnmMarcasite structureC19α-SmRmα-Samarium structure (ABCBCACAB Barlow packing)C21TiO2PbcaBrookite structureC22Fe2P P321 (original, incorrect structure) P2m (revised)C23PbCl2PnmaCotunnite structureC24HgBr2Cmc21Mercury(II) bromide structureC25 → C28HgCl2PnmaMercury(II) chloride structureC27CdI2P63mcC28HgCl2C29 → C23SrH2PnmaStrontium hydride structureC30SiO2P41212α–Cristobalite structureC32AlB2P6/mmmAluminium diboride structureC33Bi2Te3RmBismuth telluride structureC34AuTe2C2/mC35CaCl2PnnmCalcium chloride structureC36MgNi2P63/mmc MgNi2 Laves phaseC37Co2SiPnmaC38Cu2SbP4/nmmC39 → C15C40CrSi2P6222C41 → C14C42SiS2IbamSilicon disulfide structureC43ZrO2P21/cBaddeleyite structureC44GeS2Fdd2Germanium disulfide structureC46AuTe2Pma2Krennerite structureC47SeO2P42/mbcSelenium dioxide structureC48 → C11bC49ZrSi2CmcmC50PdCl2Pnnmα-Palladium(II) chloride structureC51 → C16C53Sr Br2P4/nC54TiSi2FdddTitanium disilicide structureCaMg2NiP6222CbCuMg2FdddCcThSi2I41/amdCePdSn2Aba2CgThC2C2/cChCu2TeP6/mmmCkLiZn2

D-compounds 'D' designates compounds of arbitrary stoichiometry. Originally, D1-D10 were set aside for stoichiometry AB3, D11-D20 for stoichiometry ABn for n > 3, D31-D50 for (ABn)2, and D51 up for the AmBn for arbitrary m and n.

+ D compounds Strukturbericht designation Diagram Prototype Space group DescriptionD02CoAs3ImSkutterudite structureD03BiF3FmmBismuth trifluoride structureD04CrCl3P3112Chromium(III) chloride structureD05BiI3RBismuth(III) iodide structureD06LaF3Pc1Lanthanum trifluoride/Fluocerite structureD09α-ReO3Pmmα-Rhenium trioxide structureD011Fe3CPnmaCementite structureD012FeF3RcD014 → D012AlF3R32Aluminium fluoride structureD015AlCl3C2/mAluminium chloride structureD017BaS3P21mD018Na3AsP63/mmcSodium arsenide structureD019Ni3SnP63/mmcD020Al3NiPnmaD021Cu3PPc1 (original structure)P63cm (revised)Copper(I) phosphide structureD022Al3TiI4/mmmD023Al3ZrI4/mmmD024Ni3TiP63/mmcD0aβ-TiCu3PmmnD0c → D0'cSiU3I4/mcmD0'cIr3SiI4/mcmD0dAsMn3CmcmD0eNi3PID1NH3P213D12SiF4I3mSilicon tetrafluoride structureD13Al4BaI4/mmmD1aNi4MoI4/mD1bAl4UImmaD1cPtSn4Aba2D1dPb4PtP4/nbmD1eB4ThP4/mbmB4Th structureD1f → CbMn4BD1gB4CD2 → D02D21CaB6PmmCalcium hexaboride structureD23NaZn13FmcD2bMn12ThI4/mmmD2cMnU6I4/mcmD2dCaCu5P6/mmmD2eBaHg11PmD2fUB12FmmD2gFe8NI4/mmmmD2hAl6MnCmcmD31Hg2Cl2I4/mmmCalomel structure D51 Al2O3 Rc Corrundum structureD52La2O3Pm1D53Mn2O3IaManganese(III) oxide/Bixbyite structureD54Sb2O3FdmD55Ag2O3PnmD58Sb2S3PnmaAntimony trisulfide/Stibnite structureD59Zn3Pt2P42/nmcD510Cr3C2PnmaD511Sb2O3PccnAntimony trioxide/Valentinite structureD512β–Bi2O3D513Al3Ni2Pm1D5aSi2U3P4/mbmD5bPt2Sn3P63/mmcD5cPu2C3I3dD5eNi3S2R32Nickel subsulfide/Heazlewoodite structureD5fAs2S3P21/nArsenic trisulfide structureD71Al4C3RmAluminium carbide structureD72Co3S4FdmD73Th3P4I3dTh3P4 structureD7a𝛿-Ni3Sn4D7bTa3B4ImmmD81Fe3Zn10I3mD82Cu5Zn8I3mGamma brass structureD83Cu9Al4P3mD84Cr23C6FmmCr23C6 crystal structure/Chromium(II) carbide structureD85Fe7W6RmD86Cu15Si4I3dD88Mn5Si3P63/mcmD89Co9S8FmmD810Cr5Al8R3mD811Co2Al5P63/mmcD8aMn23Th6,Cu16Mg6Si7 (G-phase)FmmD8bσ-CrFeP42/mnmD8cMg2Zn11PmD8dCo2Al9P21/cD8eMg32(Al,Zn)49ImD8fGe7Ir3ImmD8gGa2Mg5IbamD8hW2B5P63/mmcD8iMo2B5RmD8kTh7S12P63/mD8lCr5B4I4/mcmD8mW5Si3I4/mcmD101C3Cr7PnmaD102Fe3Th7P63mcD31 → D31D51 → D51D52 → D52D61 → D61D81 → D81D82 → D82D83 → D83

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

+ E through K compounds Strukturbericht designation Diagram Prototype Space group DescriptionE01PbFClP4/nmmMatlockite structureE03CdOHClP63mcE05FeOClIron oxychloride structureE07FeAsSP21/c Arsenopyrite structure E11 CuFeS2 I2d Chalcopyrite structureE1aMgCuAl2CmcmE1bAgAuTe4P2/cSylvanite structure E21 CaTiO3 Pmm Perovskite structureE22FeTiO3RIlmenite structureE24NH4CdC13PnmaE3CdAl2S4IE33FeSb2S4PnamBerthierite structureE81Eu2Ir2O7FdmPyrochlore structureE91Ca3Al2O6PmmE93Fe3W3CFdmE94Al5C3NP63mcE9aAl7Cu2FeP4/mncE9bAl8FeMg3Si6P2mE9cMn3Al9SiP63/mmcE9dAlLi3N2IaE9eCuFe2S3PnmaCubanite structureF01NiSSbP213Ullmannite structureF02COSR3mCarbonyl sulfide structureF51CrNaS2RmF52KN3I4/mcmF54NH4O2ClP21mF56CuSbS2PnmaChalcostibite structureF59KCNSPbcmF510KAg(CN)2P1cF513KBO2RcF5aFeKS2C2/cF51 → F51F52 → F52F61 → E11G01CaCO3RcCalcite structureG02CaCO3PmcnAragonite structureG06KClO3P21/mG3NaClO3P213Sodium chlorate structureG32Na2SO3PSodium sulfite structureG4 → E22G5 → E21G71CeCO3FP2cBastnäsite structureH01CaSO4CmcmAnhydrite structureH02BaSO4PnmaBaryte structureH03 → S11H05KClO4PnmaPotassium perchlorate structureH07BPO4IH1 → H01 H11 Al2MgO4 Fdm Spinel structureH12 → S12H13 → S13H15K2PtC14P4/mmmmH16β-K2SO4PnmaH2 → H02H21Ag3PO4P3nSilver phosphate structureH24Cu3S4VP3mH25AsCu3S4Pmn21Enargite structureH26Cu2FeS4SnI2mStannite structureH3 → S11H31 → S14H4CaWO4I41/aScheelite structureH57Ca5(PO4)3F,Cl,OHP63/mApatite structureH11 → H11H12 → S12H13 → S13H15 → H15H31 → S14H61 → J11I11 → J11I113 → J113J11K2PtCl6FmmJ113K2GeF6Pm1K01K2S2O5P21/mK11KSO3P321K12CsSO3P63mcK31Cs3CoC15I4/mcmK41NH4SO4P21/c

L-compounds 'L' designates intermetallic compounds.

+ L compounds Strukturbericht designation Diagram Prototype Space group DescriptionL10CuAuP4/mmmL11CuPtRm L12 Cu3Au Pmm Cu3Au structureL13CdPt3CmmmL1aCuPt3L21AlCu2MnFmmHeusler compoundsL22Sb2Tl7ImmL2a𝛿-CuTiP4/mmmL60CuTi3P4/mmmL'1Fe4NPmmL'12AlF3CPerovskite structureL'2ThH2I4/mmmL'2bThH2I4/mmmL'3 → B81Fe2NL'32β-V2NP1mL60Ti3CuP4/mmmL10 → L10L'10 → L'1L11 → L11L12 → L12L13 → L13L20 → B2L'20 → L'2L21 → L21L22 → L22

S-compounds

+ S compounds Strukturbericht designation Diagram Prototype Space group DescriptionS11ZrSiO4I41/amdZircon structureS12Mg2SiO4PnmaForsterite structureS13Be2SiO4RPhenakite structureS14Al2Ca3Si3O12IadGarnet structureS21Sc2Si2O7C2/mThortveitite structureS31Be3Al2Si6O18P6/mccBeryl structureS32BaSi4O9Pc2S53Ca2MgSi2O7P21mÅkermanite structureS6NaAlSi2O6H2OI3dS62Na8Al6Si6O24Cl2P3n

See also Space group Crystal system Pearson symbol

References

External links