GM Soe Me ne bese CRAs ews bie ied Symmetry in Crystallography Understanding the International Tables PAOLO G. RADAELLI INTERNATIONAL UNION OF CRYSTALLOGRAPHY OXFORD SC PUBLICATIONOXFORD ‘Sout Clanton stat, Cent cies Ofer University Frew ckparteesnt a he erst of Sheed lisuntors tur Cauveratys rbpuczto oe recurs i rssarch,acheearshe, fel a2ucatan fy purohung worded in ‘Sec New York uckbiad CapeTosen Dar ox Sabsve Heng Kong Katoh Nidiks Largur Muatral Mbourse: hiecko City Malrob ‘how Dathi Stargeat Iapat Teeorde ‘Wel otras Angaelina, Auteis Brasil Chile Ceich epabite Trance Gres Cocereala Hisypary aly fan Delon Pt Soh kieves Seitectom! 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Copyrighted materialContents PART [ SYMMETRY GROUPS: AN INTRODUCTION T Symmetry around a fixed point a 1 Che eymmetricsof a parallelogram, an anow and arectangle a 12. Whar do the graphic sembals foe 2 end ar really meant ‘Graphs anc their symmetry 1.5 Symmetry operators 1A Group struchene: a few dura ded 1.5 Muhiplicabio tables for simp 1.8 Graph spmetry va conposs 18 Roles to attain 2D maltipl 19 The cemairsing 2D pain gran 110 Graph sycumetyy, canjngation and pater 11D The 22) point groups in the DE LI? Crenyp-sabpeaup welasians 2 Frege patierns and frieze groups 4 for frieze groups 2 cs r graphs generalized tm frien pattecrss 22 2.3. Mere farmal oomcepts for Fresre gnoupss ou 24 Relation between graph symm J eye intro fy and composition, 14 First sae? 2 bie for friene paterris 5 speratirs 2 for operazars 8 2.10 ‘Geenposilica af npotniors an aoensad tacmn 2.11 Point gnups and Incal eeminesry 212 Cenainate systoms lew frien gemps speoupa ln che IE 213. Fre 4) Wallpaper (planet groups 21 Tansfornaticn af tansltations by graphs 2 The semenetey af the sanslation set 33 Lattines 34 Ceystallogeaphic reseicdinin a5 6 ct Mi 8 Copyrighted materialtl 12 102 Glide planesin 30) 103. Graphical notation for 3D sy meneery aperatoes cake talsles in 1D on ot spatoe peep ink 32) PARE OY RUCIEROCAL SPACE rel rellection cnnditians in reedpracel space awe ApROCA LANCE ApHRELATiON, seal lattice an ale let fg, oxtinctsens 114 Balobedey af the epcipprocal Laatice 115 ‘Kuurer isanstorm of lattice tunchons the weighed! Reciprocal Lattice and its wemoneary Te Further exploitation of the RL symmetry The Wignes-Seils curtructions and the Bri IT] The Wignes- Sita construction at thet on revapnacal spacy 122 Tier exteiled Wigner-Seitz scien. coMstrurtiN ne ‘hipher-cureler Brillonin ante ing cl Helerences: ledex Cats at) a ce) a ot a0 wa 03 108 wy na ay us an 13 5 Copyrighted materialSymmetry around a fixed point pewepts by round 3 fined cea aZ1D path symmetries of a parallelogram, an arrow and a reclangleiinipatn a! efi 7 A Sresutal element” din, the ide stexist, sashatfor every elersvecit usually indicated with 6 guE=Eapeg. (2) + Earhelement g haven inverse element g's that fee oe E (a FrbfenIewsilgche aeointve pi. tow dar the righ tl et iawerses abwayse 14.2 Some more nomenclature © Order tyes mennings. The onferofa zap if the aumber ef elements in the group. All the groups we have sven say far hinges a Bike nam= dhe of elements. By cantrast, the orler af wx clement is the number sof times tive operator element cmt Lae comnisasd with itself ihe power ty obltin the identity. OF the symmetry opreratars we have eet far, dhe minnie and He edotd vase have onder 2, wheres thee faur-sold axes have onder 4. + Generaings. A set oe aperanrs (rut reeessanity hae Jeneratrs the whole genup by chenpsiion. Alt pewesps el inter est for us havea finite namber al geaveuines, Pvabiem 1.2: determine sens af genevamens for the groups un Figones: 1-13 Some hove a single generator + Foittis uf special symmetry, These ary proms chat ane belt ant by the applicaben af ane ar sanee aperoioes, so they have fewer “equivalent points” dian a general point Ta the-case-al poind “groups, they councide wilh the praphs of iby: gemmatey aperators. + Multiplication table, J square able jomier x orders deining the composition rules a a group (le, every element composed with ‘every obec tothe rightand terthelefil. we praups nawing, lhe same multsplication table are sald te be the same abstrax? sev. + Subgroups. A subset of a genup thi sale a gomup, Clearly, the subgroup at the very least has to canuan the idencity and the inverse af wach of ite elements Point groups, ‘The groups describing discrete eymmetsies around ss foved point are knows as potig groups, Clearly, there are av ice nige muniver of point groups (thins, far esnmple, oF tre same fey groups of ech regular pohegan) However, as ye shall see Inter, Uber pre erly 10 crpetalliggraphic point gmp an BD seed 02 aD. Copyrighted material[Groh opening ings the ber evtaind frm thine sinter rues: Mule 1 The compusitian of bore rutations (around the same axis} bs Aresation by the sum of the angles. Rotations around the vertical Rule2 The compositing af ewo intersecting planes ba sotatinn firoumel the ingersection, ‘The notation angle i furiee the angle between the planes. The sirertiow of thu rotation is froin the po that is apphed fistiie. that appears two the right - Hon), Fram this, it fallows that two mirror plaresa Ruled This is the eeversen? Risk 2. The composition ef a plane with ristaliae about any axis in Uw plare itself fin the onder n* oar) a plane nivaiced by rotating Ue first paar aarurud the anus boy fll he rotazioe acigle [Fhe two operators are exchanged, the rata isan the opposite diction, Rote that this is a generalization of whatis shown if Figure 15, 19 The remaining 2D point groups ‘We hivis eo far encumbered | g7vop in. which the anly symmetry trystalligninki 2D pein prim rules Histudl alone, Ther are pirint groups A fifth is the trivial Snetdestity E. There are five mone hak can ine easly ob ly biker foe aperatoes, in aller by rystallagraply. The Jen 2D paint groups cari be abated fag each of the six allowed operatars as a single generates, ng enchoad the four nw and the weireor Line as the 6 atts. Prabiem 1.2: canstruct the daltowing 20 pedal groups: {1} Jourtole is withmut miccor lines fsce Figure Le: (2) dieeefold ance. with and es (se LP for the sisefiskd acs evil rr Lines ane without mi LL Graph symmetry, conjugation and patterns This alten qasite esay so spot the parts of che parieens that bie on sym mwery graphs. for mample, the “spikes” ca the sicecflake shown. in Bguce LA cerespond ot minor planes in its svmmery We should ole, howevts, that there ane two types of splhes, each accuringy tx times, This is because, a5 we teeall. theneaze two tipes of mirror planes Copyrighted materialFig 2 Teds pia ees ep atan AmL e C a,2 Copyrighted materialFrieze patterns and frieze groups Reflections acroes a line in the pl translations, 2 fo> Hy her woes, alll sumbinationson the standing that hey do at have an origin, aad akey ean be applied anywhere. + Generalized entations, Ciperaiom that havea point-by-pomt invad ant graph, sich as these inioduced tor the paint goupa, ancl inclucting mircac tines, are calleclvely known as generatized sate tions. ‘The are called proper if they preserve orientation,‘chirallty. Jas for aves al any coter, daupenper iF they do nat (25 Jor mirrors + Generalized roto-teanslalions. These are operators that have cet loctively (hut not point-by-pain:] invanant graphs. They ate 2is0 slasesfied as proper or improper using the same criterion as above. Simple transiaans aze trivas! examples. So far, we have only seen anather example, an impmper roti-tranclation (ke glide plane} 2.3 More formal concepts for frieze groups Here, we introduce 4 few more fornal definitions related to the frieze groups mctending analegiies concepts almaady introduced for the pwint enrups: + Multiplication tables, Esiere groups. wallpaper groups and spare groups have geoup onder of infinity, and assuch shoal have muli- plcalicc tabies of size infinury « intinaty: However, ites still possible lo define a “reduced” multipficatiees table, provided that we do not SaLan.cemphete clussune, The most converserit wey ta achiewe this ie Wr include all elements mmole # primitive travalation, Nate: Aa for point groups, the multiplication taitles define the phstewce gmap in the mathernatical sere, Thee ane toro Iriere groups (x71 anc pm) that share the same shstiact group stracture. The situa where distinct geometigal groups are associaned with the abstract group, whieh we have seen for point groups aed triew groups, is not ecnontensd for grace geompe in any dimers this ib kiaewn as Bieberbach's sheonen (Bieborbach. Li). 4 Repeat unit or uit cell, A cindenal (hut never wniggar, i, acays coventinealt part of ghe pastern that geswsanes he wbuale parsers ‘by applicatinn al puve trowsiatins. » Asywumetric unil, A minimal (hut never unique) part of lhe paenn that generates the whole pattem by applicatincol all she operaiors. Ik ean be shonen that there Is abesys a simply eamnecied choline of symmetric unt. Prabien 22: eansiracr eamnples of epear See Mean gos. as rae Hs fee the Copyrighted material(Caeswurerton: Ang ni “aniitck” apereties 7 Prabien 2.3: dasoriatrite erapiiically the vaiteity af welt Of the entries in Fijgane: 2.10) Fallow: Hw dianie patterns as fair Figeré 13, Frobiem 2.46 coestuct the sever frieze patterns graphically uniay, te fevaranes in Péguew 271, rhe grap symishetry eves dex Nie geapshicnt ee 20, Can you persuade vrsarse!l that 2.7 Commutation: how to “switch” operators Ewen iin the simple case of fries the sequence uf application 64 thy operators savy settee TE ye seine fromm the exile it Figure 2.12. [his vee iiporsant to be abe 19 swatch operators, dnd anew again, «we will ao this graphically by sears af graph syenmetry. Let us fave a clowee lonk at Eqn f.5h We can wlormulae it by inuraduring, he senile ,, sete as &, sgl egetsgt ay In cher words, fi, is the operator ansiormed by graph syamnetey, Hiring the ogwiatar ¢— Le. coajugabed with Wy Mining: Fen (21) the commustaiaen tetations betwoen operators fallow ve rally Fag: 212A aeple wcin seer, Ap rst the aperen applying 2 tow Ea an ena Copyrighted materialFoiete gemups the TG 3 5 Partner Hare fn) the cae the Be se pcants of spousleyrametry oft patter along the repetitiog direciion and ihe yaxls emhogoeal tei The unl lenguh fia both directinnsl cotocides with the Jeng ol tbe primitive trarsilatices. Thus is busteaved in. Figure 2, 215 Frieze groups in the ITC The seven frieze groups are listed In TTC Vilas E (Repsky anil Litvin, TNC cn pages W364 The enery ine the trieee geoup pug is shawn in Figure 214 We cam cow undorstaral mast of the eoteies inv these tables Fired Lise. From Weft to sigh, Ihe entre aie far she irene group, the crymtal class and the crystal system, The fries geoup symbol jknawn as the HermanreMavguisy symbol} ceeviains dour chacac- The fist is alwayea p and indicaies that griwittuy eracalations aneaymmetcy elements The second symbel teither Yor 2) ndscates ihe absence or presence of a byo-dalé wotation. The third sembol {1 far ni) indicates the presence erabsence of a miro line arlfingent! to the stent directuse. The fourth syrebal (2 ar mor g} retore te the symmetry elements pemllel to the nepent dinect Second bine, Puen left to right, the entries: ame 9 sequence ef nam= Jens from 1 to? repetition af the Hermann-Manguiin sym ifr spooe gramps, this entry contain an “exgennled” syrsbel) ancl the “Patterson seniiectry" ~ see Giscuvinero of al, (RMI for a iscuse sion of Pattersan symmetry. @ Diagrams, Toe diagrams ane shower dhe Left-latal disettacn shone the arringenien: oF the sysmmuery elements : the right-hned gee shins i geseral position none anit cell, By Inngsanding erystalinggraph i cmrary te evorvome else), the a-axis points vertically Copyrighted materialWallpaper (plane) groups 3 Wallpaper cswee du tend to bn + peeviows sac raza, cer 3.1 Transformation of translations by graph symmetry The first step: im caneBrana brtueein 2D 9 FJ The won be ing trirser plane Lec the abort ta angle mnater dt 8 swith a reimor pi ftom the pura tbl, dn fact, da lifirreae betweoon two much traalaicns would be small #2an the orginal one. Fo uaa and fviy eyrcreros, whew fae analon batvenen mire pkey are 43° ond 30", rove he tramatioas toe mu de mibvoe plow therein, Kight: indations alsa part of banda es ay acer Ba theorem apeland oe parte gmeags: oarbaens traradatise sl carn ube ont lattiog 18 a tiling, oF paraltlogyrants, and supports the crystal classes L and E 3.8.2 Rectangular system tholohedry Zinn Here we hove tio lnttices (Figure 3.5), beth suppucting erystal classes mand drone + Hoh (ho shortest Hamstadon and tha) soeuaeshariest one ee sollunear will dhe (zt ie on the marror planes. lev his case, the esull i6 Semple tiling af seceangles, known a8 a ~perectangelar” {primitive rectangular} lataice. + Hither the shortest ar the neat-tosharlest pan-collinese traestalion is 01 an angle wilh the planes fin the latier case, ene can show by Jesircidon thal ls pryjeciicn on the plane must beset the ahorsest Iranslation), ‘The result is a nestanguiac lattiog wath: noxies at the centers of the rectengles, known as. “e-rectangular” (eenteredl rectangular) lattice. 3.54 Square system (holohedey dunn) There are two classes iA this system: d and dime They ace both sapporied by a simple square lattice. In the lather enw, iss we have already shows, the pamitive tranelabans must leon the micrar lames Wigyne 3.0) Copyrighted materiala Irate sat ittersect it iain bl ace wa | * “ ok in peotticn af enema plaice ttf paral nsstin Aang oer aera the snizear (or glide) ars the lene jouring the statins graph with its misror or ghiske image, The arins of the stars will be mirrors or glides, with an appropriate glide translation (in general, dif: ferent fir aie). so shat they all relite the notation pair by grap symmetry. 3.8 Graphical multiplication table in 2D Following the example we set for the focae patiens, in Figure 301 we provide 3 graphical nuultiplicatioe table to be used to coratzuet val Paper grmups As we shall see below. all the groups canbe cansiructedd by combining and transforming the fragments in the tale and the tive Sravais latsices by graph syrometcy alone (iewe will no Jonger have ub composition), As in the ease of the frieze groups, all the lable ace rcloled lo: point groups, and represent all the passible ways to combine generabized cutatinns ithe elerents wf Paint groups} wilh translations, Orv car easily recagnire that same of the fragment. simply are the 201 point greeaps, veheruss others ant generated using the aforementioned rules, 3.4 Nomenclature for wallpaper errs rs flies the already camp sggts ancl efx: pooesjts Th iewlicaies tne Laghice, dhe second the ralaliow axis, anel tue thin fueth mirwes or giles alonp, tun syshmetysinoquivalenr ircetiners Copyrighted material paper pAngin ahr wher 2 ert wating Seppe groupes aT 336 A pate omit clog suber, The hgbwatonder kaon (oe thee ak weees pene the ear(olanan (ae oqvebet ne). eyeresy rhe, Fig M5_ A-Chinese putter fray Chern (1885. The hipgves udke nokrinet is, ated Bere ure mirror plane relating fhe hesoked crewmen, bot the four-fold aves ane afl then The pace group b pee Copyrighted materialCRYSTALLOGRAPHIC COORDINATE SYSTEMS Part Ilwe tethagrgtag 4.1 Change of origin and generalized coordinate transformations ‘As discussind phuviea general coundinde tran in bath exigin and basis weclers. Ife new ucigin assscaciiatiedd youths a vane where forms af the new Isis ms of She Sant a. alse éxpmessed ie ferme of the now hasls vec 4.2 The most general coordinate lransformation By employing Eqns 44.10) ard 147 general frarster Wee necnll ths recre= Pp The ane mew mealy to verite the moet af eomdinaies fora point yin the affine space e comedinatss of pare simply de campanents of the oats sacks they : nits 3 wf the sane ala (4.121 Mie sts agin nn Aiwa ruspact we the olelcrigin exprossad Tieinwens equation Copyrighted material