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  • Mineralogical Society of Great Britain and Ireland  (3)
  • 2000-2004  (3)
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Years
Year
  • 1
    Publication Date: 2001-12-01
    Description: The crystal structure of ulrichite, CaCu2+(UO2)(PO4)2·4H2O (space group P21/c, a = 12.784(3), b = 6.996(1), c = 13.007(3)Å, β = 91.92(1)°, V = 1162.7(4)Å3, Z = 4) was redetermined using X-ray diffraction data measured from a twinned crystal with Mo-Kα radiation and a CCD area detector (2510 unique reflections with Fo 〉 4σ(Fo), R1 = 8.8%). Ulrichite crystallizes in space group P21/c rather than C2/m reported previously. The newly determined atomic positions give reasonable coordination polyhedra. One unique Ca atom is irregularly coordinated by eight O atoms ( = 2.46 Å). One unique U atom shows a {2+5} coordination with characteristic bond angles and lengths (1.806(11)Å, 1.842(12)Å and five bonds between 2.252(15) and 2.441(11)Å). Furthermore, the structure contains groups in which strongly elongated CuO6 ‘octahedra’ (also describable as CuO4 squares) are corner-linked to two PO4 tetrahedra via two opposite, equatorial O atoms. Edge- and corner-sharing UO7, CaO8 and PO4 polyhedra form heteropolyhedral sheets parallel to (001) that are linked to adjacent sheets via the CuO6 ‘octahedra’ and hydrogen bonds.
    Print ISSN: 0026-461X
    Electronic ISSN: 1471-8022
    Topics: Geosciences
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  • 2
    Publication Date: 2000-10-01
    Description: The crystal structure of faustite, ZnAl6(PO4)4(OH)8.4H2O, was determined using single-crystal data (Mo-Kα X-radiation, CCD area detector, 1624 unique reflections, R1 = 4.91%, wR2 = 9.23%), and compared with results of a reinvestigation of the structure of its copper analogue turquoise, CuAl6(PO4)4(OH)8.4H2O (2737 unique reflections, R1 = 2.81%, wR2 = 6.90%). Both are isostructural and crystallize in space group P1̄, with a = 7.419(2) [turquoise: 7.410(1)], b = 7.629(3) [7.633(1)], c = 9.905(3) [9.904(1)] Å, α = 69.17(2) [68.42(1)], β = 69.88(2) [69.65(1)], γ = 64.98(2) [65.05(1)]°, V = 462.2(3) [460.27(10)] Å3, and Z = 1. The structure consists of distorted MO6 polyhedra (M = Zn, Cu), AlO6 octahedra and PO4 tetrahedra. By edge- and corner-sharing of these polyhedra a fairly dense three-dimensional framework is formed which is further strengthened by a system of hydrogen bonds. The metal atoms in the unique MO6 (M = Zn or Cu) polyhedron show a distorted [2+2+2]-coordination, the distortion being more pronounced in turquoise. About 10% of the M site is vacant in both minerals. In turquoise, a previously undetected structural site with a very low occupancy of (possibly) Cu is present at the position (Ý,0,Ý).
    Print ISSN: 0026-461X
    Electronic ISSN: 1471-8022
    Topics: Geosciences
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  • 3
    Publication Date: 2000-12-01
    Description: The crystal structure of Na4[Cu4O2(SO4)4] MeCl (Me: Na,Cu,☐) has been solved by direct methods and refined to R1 = 0.028 using 2466 independent reflections. The compound is tetragonal with space group P4/n, a = 18.451(1)Å, c = 4.9520(2)Å, Z = 4. The two main building units running parallel to the c-axis comprise: (1) slabs containing SO4 and OCu4 tetrahedra; and (2) chains of corner sharing Me(Cl,O)6 octahedra. The displacement ellipsoids of the atoms occupying the Me sites and of the Cl ions indicate a short-range static disorder. Copper in the slabs exhibits a (4+1) coordination. Both elements form a tunnel structure in which additional Na atoms are incorporated for charge compensation. The structure is closely related to the mineral piypite (K4Cu4O2(SO4)4 MeCl (Me: Na,Cu,☐)): . Furthermore, the structure has a pronounced pseudo-translational symmetry: apart from some of the oxygen sites, all of the nineteen crystallographically distinct positions are related by a pseudo F centring.
    Print ISSN: 0026-461X
    Electronic ISSN: 1471-8022
    Topics: Geosciences
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