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  • 1
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 819-826 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: All geometric units in crystal structures of space groups P{\bar 4}3m, I{\bar 4}3m, Pn3m, F{\bar 4}3m and Fd3m possess point group {\bar 4}3m. These units may be vacant, or may contain one or more atoms. In units containing more atoms than one, the atoms form one or a collection of these polyhedra: tetrahedron, truncated tetrahedron, octahedron, cuboctahedron or truncated octahedron; the last two may be distorted. Therefore, a formula that lists the consecutive polyhedra starting from the center of the unit can be used for the tabulation of these crystal structures. Only structures of Cu2O type are known in Pn3m and typical structures of the other four space groups are tabulated.
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  • 2
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 19 (1965), S. 849-852 
    ISSN: 0001-5520
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The results of the investigation of the choice of origins in the description of space groups [Burzlaff & Zimmermann (1980). Z. Kristallogr. 153, 151-179] can be used to give group-theoretical reasons for the classification of cubic space groups by the aid of Archimedean truncated octahedron as was proposed by Chieh [Acta Cryst. (1979), A35, 946-952]. The division into units is independent of the choice of origin; however, it is found to be advantageous to place the centers of the geometric units at proper or privileged origins in dealing with cubic space groups without the site of cubic point-group symmetry, so as to simplify description of the geometric units. A modification is proposed in the representations of geometric-unit sequences. If the new symbols for the sequences of geometric units are extended by the symmetry of the centers of the units, there is a one-to-one correspondence between these extended sequence symbols and the non-isomorphic space group. Moreover, the extension of this concept to orthorhombic space groups with 'cubic' affine normalizers may be useful.
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 38 (1982), S. 346-349 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: All geometric units in crystal structures of space groups Im3m and Pm3m and two out of the three types in those of Fm3m have m3m symmetry, whereas the remaining one of Fm3m possesses {\bar 4}3m symmetry. Theoretically, a geometric unit of m3m symmetry has atoms arranged as a collection of these possible polyhedra: octahedron, cube, cuboctahedron, truncated octahedron, truncated cube, small rhombicuboctahedron and rhombicuboctahedron. All these can be derived from truncations, sometimes repeated, of the pair of platonic solids, cube and octahedron, which possess m3m symmetry. In reality, no known crystal structure has a geometric unit with a rhombicuboctahedron or a truncated cube. The close-packing requirement causes a complicated geometric unit to start (from the center) in one of the following ways: (i) a single atom followed by an octahedron, (ii) a single atom followed by a cube, (iii) an octahedron and (iv) a cube. The survey of structures indicates that polyhedra derived from an octahedron occur more frequently in real geometric units than those related to a cube.
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  • 5
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 35 (1979), S. 946-952 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Any cubic crystal structure can be divided into small units in the form of congruent semi-regular (Archimedean) truncated octahedra. The centers of these polyhedra can be chosen at invariant equivalent positions for most cubic space groups. The part of a crystal structure enclosed by an Archimedean polyhedron is called a geometric unit (or unit for short); however, the boundary of the unit may be relaxed to include a whole molecule or ion in case the geometric division is not convenient. Based on the properties and arrangements of such geometric units, there is an interesting relationship among the 36 cubic space groups. All units in a crystal structure of any one of 16 space groups are equivalent. There are 14 space groups to accommodate crystal structures with two types of independent units. Only crystal structures of space groups F23 and F{\bar 4}3m consist of four types of independent units. The remaining four space groups are in the class with three types of geometric units. The arrangement of geometric units is represented by a sequence of one period along the body diagonals of a unit cell. The sequence of geometric units is a simple version of the packing map on a (110) plane. This packing map reveals structural features.
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  • 6
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 415-421 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Tetragonal space groups are classified from the geometric-unit view point by considering crystal structures as a result of combinations and permutations of some basic polyhedral units. There are nine patterns among two categories represented by four units packed on the (1{\bar 1}0) and (100) planes. Category (I) consists of five types with four units packed on the (1{\bar 1}0) plane. The centers of these units are 0,0,0; 0,0,½; ½,½,0 and ½,½,½. In that order, the patterns can be represented by ABCD, AA'BB', ABA'B', ABB'A' and AA 'A"A". Each letter here represents an independent unit: primes are used to indicate one of the following orientation relationships: identity, fourfold rotation, mirror plane parallel to (110), and mirror plane parallel to (100). These units have the shape of tetragonal prisms and they stack in the same way as the crystallographic unit cells. Category (II) has four types packed on the (100) plane and the centers of these units are at 0,0,0; 0,½,¼; 0,0,½ and 0,½,¾. In that order, the patterns can be represented by ACBD, ABA 'B', AA 'BB' and AA'A"A". The ideal polyhedra for category (II) are truncated tetragonal prisms or flattened truncated octahedra depending on the axial ratio c/a. For simplicity, these polyhedra are transformed into tetragonal prisms so that all geometric units have the same shape. Units in category (II) stack in an interlocking fashion, like the work of a bricklayer. The overlap displacements for the interlocking are in the (001) direction. The symmetries of the geometric units in some space groups depend on the choice of origin, but a shift to equivalent origins changes neither the packing patterns nor the symmetries of the geometric units.
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  • 7
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 40 (1984), S. 567-571 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Hexagonal space groups, i.e. those with an hP lattice, are classified from the geometric-unit viewpoint by considering hexagonal crystal structures as combinations and permutations of some basic hexagonal prisms. Geometric units are the Dirichlet domains of the Wyckoff positions with the highest point-group symmetry in the space group. In this classification, there are six types of hexagonal space groups. Type h1 consists of two independent geometric units of the same symmetry per crystallographic cell; in type h2, the two units are identical, but differently oriented. Type h3 has six independent geometric units, again of the same point-group symmetry, but the six units can be made up of three pairs, each consisting of two identical units, thus giving rise to type h4. There are subclasses in types hl and h3. Centers of geometric units in hl(a) and h3(a) are uniquely defined by intersections of point-group symmetry elements, whereas those in h1(b) and h3(b) are not because the space groups in these subtypes are hemimorphic. Therefore, the two units along the polar axis may be combined as one. Type h5 consists of three units, each turned 120° from its neighbors owing to the screw axis 31, 32, 62 and 64. Similarly, type h6 has six units due to screw axes 61 and 65, and adjacent units are 60° apart. Rhombohedral space groups show two types of patterns: type r1 has two independent, and type r2 two identical, units. The h.c.p. and related structures are used to demonstrate the application of geometric units to crystal-structure descriptions.
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  • 8
    ISSN: 0020-1693
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Inorganica Chimica Acta 99 (1985), S. 31-35 
    ISSN: 0020-1693
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Inorganica Chimica Acta 99 (1985), S. 25-30 
    ISSN: 0020-1693
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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