Crystallographic Point Groups
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I`mt`qx1/00Lhmdq`knesgdLnmsg9Rbnkdbhsd This month’s mineral, scolecite, is an uncommon zeolite from India. Our write-up explains its origin as a secondary mineral in volcanic host rocks, the difficulty of collecting this fragile mineral, the unusual properties of the zeolite-group minerals, and why mineralogists recently revised the system of zeolite classification and nomenclature. OVERVIEW PHYSICAL PROPERTIES Chemistry: Ca(Al2Si3O10)A3H2O Hydrous Calcium Aluminum Silicate (Hydrous Calcium Aluminosilicate), usually containing some potassium and sodium. Class: Silicates Subclass: Tectosilicates Group: Zeolites Crystal System: Monoclinic Crystal Habits: Usually as radiating sprays or clusters of thin, acicular crystals or Hairlike fibers; crystals are often flattened with tetragonal cross sections, lengthwise striations, and slanted terminations; also massive and fibrous. Twinning common. Color: Usually colorless, white, gray; rarely brown, pink, or yellow. Luster: Vitreous to silky Transparency: Transparent to translucent Streak: White Cleavage: Perfect in one direction Fracture: Uneven, brittle Hardness: 5.0-5.5 Specific Gravity: 2.16-2.40 (average 2.25) Figure 1. Scolecite. Luminescence: Often fluoresces yellow or brown in ultraviolet light. Refractive Index: 1.507-1.521 Distinctive Features and Tests: Best field-identification marks are acicular crystal habit; vitreous-to-silky luster; very low density; and association with other zeolite-group minerals, especially the closely- related minerals natrolite [Na2(Al2Si3O10)A2H2O] and mesolite [Na2Ca2(Al6Si9O30)A8H2O]. Laboratory tests are often needed to distinguish scolecite from other zeolite minerals. Dana Classification Number: 77.1.5.5 NAME The name “scolecite,” pronounced SKO-leh-site, is derived from the German Skolezit, which comes from the Greek sklx, meaning “worm,” an allusion to the tendency of its acicular crystals to curl when heated and dehydrated. -
Types of Lattices
Types of Lattices Types of Lattices Lattices are either: 1. Primitive (or Simple): one lattice point per unit cell. 2. Non-primitive, (or Multiple) e.g. double, triple, etc.: more than one lattice point per unit cell. Double r2 cell r1 r2 Triple r1 cell r2 r1 Primitive cell N + e 4 Ne = number of lattice points on cell edges (shared by 4 cells) •When repeated by successive translations e =edge reproduce periodic pattern. •Multiple cells are usually selected to make obvious the higher symmetry (usually rotational symmetry) that is possessed by the 1 lattice, which may not be immediately evident from primitive cell. Lattice Points- Review 2 Arrangement of Lattice Points 3 Arrangement of Lattice Points (continued) •These are known as the basis vectors, which we will come back to. •These are not translation vectors (R) since they have non- integer values. The complexity of the system depends upon the symmetry requirements (is it lost or maintained?) by applying the symmetry operations (rotation, reflection, inversion and translation). 4 The Five 2-D Bravais Lattices •From the previous definitions of the four 2-D and seven 3-D crystal systems, we know that there are four and seven primitive unit cells (with 1 lattice point/unit cell), respectively. •We can then ask: can we add additional lattice points to the primitive lattices (or nets), in such a way that we still have a lattice (net) belonging to the same crystal system (with symmetry requirements)? •First illustrate this for 2-D nets, where we know that the surroundings of each lattice point must be identical. -
Symmetry and Tensors Rotations and Tensors
Symmetry and tensors Rotations and tensors A rotation of a 3-vector is accomplished by an orthogonal transformation. Represented as a matrix, A, we replace each vector, v, by a rotated vector, v0, given by multiplying by A, 0 v = Av In index notation, 0 X vm = Amnvn n Since a rotation must preserve lengths of vectors, we require 02 X 0 0 X 2 v = vmvm = vmvm = v m m Therefore, X X 0 0 vmvm = vmvm m m ! ! X X X = Amnvn Amkvk m n k ! X X = AmnAmk vnvk k;n m Since xn is arbitrary, this is true if and only if X AmnAmk = δnk m t which we can rewrite using the transpose, Amn = Anm, as X t AnmAmk = δnk m In matrix notation, this is t A A = I where I is the identity matrix. This is equivalent to At = A−1. Multi-index objects such as matrices, Mmn, or the Levi-Civita tensor, "ijk, have definite transformation properties under rotations. We call an object a (rotational) tensor if each index transforms in the same way as a vector. An object with no indices, that is, a function, does not transform at all and is called a scalar. 0 A matrix Mmn is a (second rank) tensor if and only if, when we rotate vectors v to v , its new components are given by 0 X Mmn = AmjAnkMjk jk This is what we expect if we imagine Mmn to be built out of vectors as Mmn = umvn, for example. In the same way, we see that the Levi-Civita tensor transforms as 0 X "ijk = AilAjmAkn"lmn lmn 1 Recall that "ijk, because it is totally antisymmetric, is completely determined by only one of its components, say, "123. -
Properties of the Single and Double D4d Groups and Their Isomorphisms with D8 and C8v Groups A
Properties of the single and double D4d groups and their isomorphisms with D8 and C8v groups A. Le Paillier-Malécot, L. Couture To cite this version: A. Le Paillier-Malécot, L. Couture. Properties of the single and double D4d groups and their isomorphisms with D8 and C8v groups. Journal de Physique, 1981, 42 (11), pp.1545-1552. 10.1051/jphys:0198100420110154500. jpa-00209347 HAL Id: jpa-00209347 https://hal.archives-ouvertes.fr/jpa-00209347 Submitted on 1 Jan 1981 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. J. Physique 42 (1981) 1545-1552 NOVEMBRE 1981, 1545 Classification Physics Abstracts 75.10D Properties of the single and double D4d groups and their isomorphisms with D8 and C8v groups A. Le Paillier-Malécot Laboratoire de Magnétisme et d’Optique des Solides, 1, place A.-Briand, 92190 Meudon Bellevue, France and Université de Paris-Sud XI, Centre d’Orsay, 91405 Orsay Cedex, France and L. Couture Laboratoire Aimé-Cotton (*), C.N.R.S., Campus d’Orsay, 91405 Orsay Cedex, France and Laboratoire d’Optique et de Spectroscopie Cristalline, Université Pierre-et-Marie-Curie, Paris VI, 75230 Paris Cedex 05, France (Reçu le 15 mai 1981, accepté le 9 juillet 1981) Résumé. -
Molecular Symmetry
Molecular Symmetry Symmetry helps us understand molecular structure, some chemical properties, and characteristics of physical properties (spectroscopy) – used with group theory to predict vibrational spectra for the identification of molecular shape, and as a tool for understanding electronic structure and bonding. Symmetrical : implies the species possesses a number of indistinguishable configurations. 1 Group Theory : mathematical treatment of symmetry. symmetry operation – an operation performed on an object which leaves it in a configuration that is indistinguishable from, and superimposable on, the original configuration. symmetry elements – the points, lines, or planes to which a symmetry operation is carried out. Element Operation Symbol Identity Identity E Symmetry plane Reflection in the plane σ Inversion center Inversion of a point x,y,z to -x,-y,-z i Proper axis Rotation by (360/n)° Cn 1. Rotation by (360/n)° Improper axis S 2. Reflection in plane perpendicular to rotation axis n Proper axes of rotation (C n) Rotation with respect to a line (axis of rotation). •Cn is a rotation of (360/n)°. •C2 = 180° rotation, C 3 = 120° rotation, C 4 = 90° rotation, C 5 = 72° rotation, C 6 = 60° rotation… •Each rotation brings you to an indistinguishable state from the original. However, rotation by 90° about the same axis does not give back the identical molecule. XeF 4 is square planar. Therefore H 2O does NOT possess It has four different C 2 axes. a C 4 symmetry axis. A C 4 axis out of the page is called the principle axis because it has the largest n . By convention, the principle axis is in the z-direction 2 3 Reflection through a planes of symmetry (mirror plane) If reflection of all parts of a molecule through a plane produced an indistinguishable configuration, the symmetry element is called a mirror plane or plane of symmetry . -
The Cubic Groups
The Cubic Groups Baccalaureate Thesis in Electrical Engineering Author: Supervisor: Sana Zunic Dr. Wolfgang Herfort 0627758 Vienna University of Technology May 13, 2010 Contents 1 Concepts from Algebra 4 1.1 Groups . 4 1.2 Subgroups . 4 1.3 Actions . 5 2 Concepts from Crystallography 6 2.1 Space Groups and their Classification . 6 2.2 Motions in R3 ............................. 8 2.3 Cubic Lattices . 9 2.4 Space Groups with a Cubic Lattice . 10 3 The Octahedral Symmetry Groups 11 3.1 The Elements of O and Oh ..................... 11 3.2 A Presentation of Oh ......................... 14 3.3 The Subgroups of Oh ......................... 14 2 Abstract After introducing basics from (mathematical) crystallography we turn to the description of the octahedral symmetry groups { the symmetry group(s) of a cube. Preface The intention of this account is to provide a description of the octahedral sym- metry groups { symmetry group(s) of the cube. We first give the basic idea (without proofs) of mathematical crystallography, namely that the 219 space groups correspond to the 7 crystal systems. After this we come to describing cubic lattices { such ones that are built from \cubic cells". Finally, among the cubic lattices, we discuss briefly the ones on which O and Oh act. After this we provide lists of the elements and the subgroups of Oh. A presentation of Oh in terms of generators and relations { using the Dynkin diagram B3 is also given. It is our hope that this account is accessible to both { the mathematician and the engineer. The picture on the title page reflects Ha¨uy'sidea of crystal structure [4]. -
Chapter 1 – Symmetry of Molecules – P. 1
Chapter 1 – Symmetry of Molecules – p. 1 - 1. Symmetry of Molecules 1.1 Symmetry Elements · Symmetry operation: Operation that transforms a molecule to an equivalent position and orientation, i.e. after the operation every point of the molecule is coincident with an equivalent point. · Symmetry element: Geometrical entity (line, plane or point) which respect to which one or more symmetry operations can be carried out. In molecules there are only four types of symmetry elements or operations: · Mirror planes: reflection with respect to plane; notation: s · Center of inversion: inversion of all atom positions with respect to inversion center, notation i · Proper axis: Rotation by 2p/n with respect to the axis, notation Cn · Improper axis: Rotation by 2p/n with respect to the axis, followed by reflection with respect to plane, perpendicular to axis, notation Sn Formally, this classification can be further simplified by expressing the inversion i as an improper rotation S2 and the reflection s as an improper rotation S1. Thus, the only symmetry elements in molecules are Cn and Sn. Important: Successive execution of two symmetry operation corresponds to another symmetry operation of the molecule. In order to make this statement a general rule, we require one more symmetry operation, the identity E. (1.1: Symmetry elements in CH4, successive execution of symmetry operations) 1.2. Systematic classification by symmetry groups According to their inherent symmetry elements, molecules can be classified systematically in so called symmetry groups. We use the so-called Schönfliess notation to name the groups, Chapter 1 – Symmetry of Molecules – p. 2 - which is the usual notation for molecules. -
COXETER GROUPS (Unfinished and Comments Are Welcome)
COXETER GROUPS (Unfinished and comments are welcome) Gert Heckman Radboud University Nijmegen [email protected] October 10, 2018 1 2 Contents Preface 4 1 Regular Polytopes 7 1.1 ConvexSets............................ 7 1.2 Examples of Regular Polytopes . 12 1.3 Classification of Regular Polytopes . 16 2 Finite Reflection Groups 21 2.1 NormalizedRootSystems . 21 2.2 The Dihedral Normalized Root System . 24 2.3 TheBasisofSimpleRoots. 25 2.4 The Classification of Elliptic Coxeter Diagrams . 27 2.5 TheCoxeterElement. 35 2.6 A Dihedral Subgroup of W ................... 39 2.7 IntegralRootSystems . 42 2.8 The Poincar´eDodecahedral Space . 46 3 Invariant Theory for Reflection Groups 53 3.1 Polynomial Invariant Theory . 53 3.2 TheChevalleyTheorem . 56 3.3 Exponential Invariant Theory . 60 4 Coxeter Groups 65 4.1 Generators and Relations . 65 4.2 TheTitsTheorem ........................ 69 4.3 The Dual Geometric Representation . 74 4.4 The Classification of Some Coxeter Diagrams . 77 4.5 AffineReflectionGroups. 86 4.6 Crystallography. .. .. .. .. .. .. .. 92 5 Hyperbolic Reflection Groups 97 5.1 HyperbolicSpace......................... 97 5.2 Hyperbolic Coxeter Groups . 100 5.3 Examples of Hyperbolic Coxeter Diagrams . 108 5.4 Hyperbolic reflection groups . 114 5.5 Lorentzian Lattices . 116 3 6 The Leech Lattice 125 6.1 ModularForms ..........................125 6.2 ATheoremofVenkov . 129 6.3 The Classification of Niemeier Lattices . 132 6.4 The Existence of the Leech Lattice . 133 6.5 ATheoremofConway . 135 6.6 TheCoveringRadiusofΛ . 137 6.7 Uniqueness of the Leech Lattice . 140 4 Preface Finite reflection groups are a central subject in mathematics with a long and rich history. The group of symmetries of a regular m-gon in the plane, that is the convex hull in the complex plane of the mth roots of unity, is the dihedral group of order 2m, which is the simplest example of a reflection Dm group. -
Space Symmetry, Space Groups
Space symmetry, Space groups - Space groups are the product of possible combinations of symmetry operations including translations. - There exist 230 different space groups in 3-dimensional space - Comparing to point groups, space groups have 2 more symmetry operations (table 1). These operations include translations. Therefore they describe not only the lattice but also the crystal structure. Table 1: Additional symmetry operations in space symmetry, their description, symmetry elements and Hermann-Mauguin symbols. symmetry H-M description symmetry element operation symbol screw 1. rotation by 360°/N screw axis NM (Schraubung) 2. translation along the axis (Schraubenachse) 1. reflection across the plane glide glide plane 2. translation parallel to the a,b,c,n,d (Gleitspiegelung) (Gleitspiegelebene) glide plane Glide directions for the different gilde planes: a (b,c): translation along ½ a or ½ b or ½ c, respectively) (with ,, cba = vectors of the unit cell) n: translation e.g. along ½ (a + b) d: translation e.g. along ¼ (a + b), d from diamond, because this glide plane occurs in the diamond structure Screw axis example: 21 (N = 2, M = 1) 1) rotation by 180° (= 360°/2) 2) translation parallel to the axis by ½ unit (M/N) Only 21, (31, 32), (41, 43), 42, (61, 65) (62, 64), 63 screw axes exist in parenthesis: right, left hand screw axis Space group symbol: The space group symbol begins with a capital letter (P: primitive; A, B, C: base centred I, body centred R rhombohedral, F face centred), which represents the Bravais lattice type, followed by the short form of symmetry elements, as known from the point group symbols. -
Apophyllite-(Kf)
December 2013 Mineral of the Month APOPHYLLITE-(KF) Apophyllite-(KF) is a complex mineral with the unusual tendency to “leaf apart” when heated. It is a favorite among collectors because of its extraordinary transparency, bright luster, well- developed crystal habits, and occurrence in composite specimens with various zeolite minerals. OVERVIEW PHYSICAL PROPERTIES Chemistry: KCa4Si8O20(F,OH)·8H20 Basic Hydrous Potassium Calcium Fluorosilicate (Basic Potassium Calcium Silicate Fluoride Hydrate), often containing some sodium and trace amounts of iron and nickel. Class: Silicates Subclass: Phyllosilicates (Sheet Silicates) Group: Apophyllite Crystal System: Tetragonal Crystal Habits: Usually well-formed, cube-like or tabular crystals with rectangular, longitudinally striated prisms, square cross sections, and steep, diamond-shaped, pyramidal termination faces; pseudo-cubic prisms usually have flat terminations with beveled, distinctly triangular corners; also granular, lamellar, and compact. Color: Usually colorless or white; sometimes pale shades of green; occasionally pale shades of yellow, red, blue, or violet. Luster: Vitreous to pearly on crystal faces, pearly on cleavage surfaces with occasional iridescence. Transparency: Transparent to translucent Streak: White Cleavage: Perfect in one direction Fracture: Uneven, brittle. Hardness: 4.5-5.0 Specific Gravity: 2.3-2.4 Luminescence: Often fluoresces pale yellow-green. Refractive Index: 1.535-1.537 Distinctive Features and Tests: Pseudo-cubic crystals with pearly luster on cleavage surfaces; longitudinal striations; and occurrence as a secondary mineral in association with various zeolite minerals. Laboratory analysis is necessary to differentiate apophyllite-(KF) from closely-related apophyllite-(KOH). Can be confused with such zeolite minerals as stilbite-Ca [hydrous calcium sodium potassium aluminum silicate, Ca0.5,K,Na)9(Al9Si27O72)·28H2O], which forms tabular, wheat-sheaf-like, monoclinic crystals. -
Infrare D Transmission Spectra of Carbonate Minerals
Infrare d Transmission Spectra of Carbonate Mineral s THE NATURAL HISTORY MUSEUM Infrare d Transmission Spectra of Carbonate Mineral s G. C. Jones Department of Mineralogy The Natural History Museum London, UK and B. Jackson Department of Geology Royal Museum of Scotland Edinburgh, UK A collaborative project of The Natural History Museum and National Museums of Scotland E3 SPRINGER-SCIENCE+BUSINESS MEDIA, B.V. Firs t editio n 1 993 © 1993 Springer Science+Business Media Dordrecht Originally published by Chapman & Hall in 1993 Softcover reprint of the hardcover 1st edition 1993 Typese t at the Natura l Histor y Museu m ISBN 978-94-010-4940-5 ISBN 978-94-011-2120-0 (eBook) DOI 10.1007/978-94-011-2120-0 Apar t fro m any fair dealin g for the purpose s of researc h or privat e study , or criticis m or review , as permitte d unde r the UK Copyrigh t Design s and Patent s Act , 1988, thi s publicatio n may not be reproduced , stored , or transmitted , in any for m or by any means , withou t the prio r permissio n in writin g of the publishers , or in the case of reprographi c reproductio n onl y in accordanc e wit h the term s of the licence s issue d by the Copyrigh t Licensin g Agenc y in the UK, or in accordanc e wit h the term s of licence s issue d by the appropriat e Reproductio n Right s Organizatio n outsid e the UK. Enquirie s concernin g reproductio n outsid e the term s state d here shoul d be sent to the publisher s at the Londo n addres s printe d on thi s page. -
Symmetry in Chemistry
SYMMETRY IN CHEMISTRY Professor MANOJ K. MISHRA CHEMISTRY DEPARTMENT IIT BOMBAY ACKNOWLEGDEMENT: Professor David A. Micha Professor F. A. Cotton 1 An introduction to symmetry analysis WHY SYMMETRY ? Hψ = Eψ For H – atom: Each member of the CSCO labels, For molecules: Symmetry operation R CSCO H is INVARIANT under R ( by definition too) 2 An introduction to symmetry analysis Hψ = Eψ gives NH3 normal modes = NH3 rotation or translation MUST be A1, A2 or E ! NO ESCAPING SYMMETRY! 3 Molecular Symmetry An introduction to symmetry analysis (Ref.: Inorganic chemistry by Shirver, Atkins & Longford, ELBS) One aspect of the shape of a molecule is its symmetry (we define technical meaning of this term in a moment) and the systematic treatment and symmetry uses group theory. This is a rich and powerful subject, by will confine our use of it at this stage to classifying molecules and draw some general conclusions about their properties. An introduction to symmetry analysis Our initial aim is to define the symmetry of molecules much more precisely than we have done so far, and to provide a notational scheme that confirms their symmetry. In subsequent chapters we extend the material present here to applications in bonding and spectroscopy, and it will become that symmetry analysis is one of the most pervasive techniques in inorganic chemistry. Symmetry operations and elements A fundamental concept of group theory is the symmetry operation. It is an action, such as a rotation through a certain angle, that leave molecules apparently unchanged. An example is the rotation of H2O molecule by 180 ° (but not any smaller angle) around the bisector of HOH angle.