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= 0.12. With the additional sites added from the Fourier map the structure refined to R = 0.07 with isotropic displacement parameters. This model re- fined to R = 0.049 with anisotropic-displacement parameters. The final residual electron-densities are +3.65 and –4.01 e–/Å3. Table 2 lists the final positional and anisotropic-displacement parameters and bond valences. Table 3 gives the selected inter- atomic distances and Table 41 the observed and calculated struc- ture factors. Crystal-structure determination of pinalite JOEL D. GRICE1 AND PETE J. DUNN2 1Canadian

NMR Studies and Crystal Structure Determinations of CF3 Group-containing Bicyclic Phenolates Constantin Mamata, Helmut Reinkeb, and Peter Langerb,c a Institut für Radiopharmazie am Forschungszentrum Dresden-Rossendorf e. V., Postfach 51 01 19, D-01314 Dresden, Germany b Institut für Chemie der Universität Rostock, Albert-Einstein-Straße 3a, D-18059 Rostock, Germany c Leibniz Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Straße 29a, D-18059 Rostock, Germany Reprint requests to Dr. Constantin Mamat. Fax: +49 (0)351 260 3232. E-mail: c

Single-crystal Structure Determination and Spectroscopic Characterization of KSr4(BO3)3 Gerhard Sohr, Doris Clara and Hubert Huppertz Institut für Allgemeine, Anorganische und Theoretische Chemie, Leopold-Franzens-Universität Innsbruck, Innrain 80 – 82, A-6020 Innsbruck, Austria Reprint requests to H. Huppertz. E-mail: Hubert.Huppertz@uibk.ac.at Z. Naturforsch. 2013, 68b, 338 – 344 / DOI: 10.5560/ZNB.2013-3074 Received February 15, 2013 During attempts to synthesize a high-pressure phase of KSr4(BO3)3 using pressures of up to 12 GPa, single crystals of the

Ernst Hinteregger, Klaus Wurst, Niklas Niederwieser, Gunter Heymann and Hubert Huppertz* Pressure-supported crystal growth and single- crystal structure determination of Li2SiF6 Abstract: High-pressure/high-temperature conditions of 5.5 GPa and 750 °C applied to a powder of Li2SiF6 led to a pressure-supported crystal growth of Li2SiF6 maintaining single crystals of sufficient quality for a single-crystal structure determination. The compound crystallizes in the space group P321 (No. 150) with 3 formula units and the lattice parameters a = 8.219(2), c = 4

Zeitschrift für Kristallographie, Bd. 124, S. 262-274 (1967) The différence Fourier-transform (DFT) method for direct crystal-structure determination* By J. L. Amorôs and Marisa Canut-Amorös School of Technology, Southern Illinois University, Carbondale, Illinois (Received October 3, 1966) Auszug Es wird eine neue Methode der Bestimmung der Struktur von Molekül- kristallen mitgeteilt. Die Methode beruht auf der Differenz-Fouriertrans- formations-Funktion, die die Eigenschaft hat, daß die Molekültransformation ohne das Maximum im Nullpunkt in sie eingeht. Die DFT

Crystal structure determination of a series of small organic compounds from powder data K. Goubitz*, E. J. Sonneveld and H. Schenk Universiteit van Amsterdam, Institute for Molecular Chemistry (IMC), Laboratory for Crystallography, Nieuwe Achtergracht 166, NL-1018 WVAmsterdam, The Netherlands Received January 3, 2000; accepted September 4, 2000 Abstract. The crystal structures of 2,4-di-bromo-aniline (A; C6H5NBr2), 4-iodo-anisole (B; C7H7OI), 2-iodo-ben- zenemethanol (C; C7H7OI), 2-amino-benzothiazole (D; C7H6N2S) and 2-amino, 5-bromo-pyridine (E; C5H5N2Br) have

Zeitschrift für Kristallographie. Bd. 147, S. 187 — 195 (1978) ίΓ by Akademische Yerlagsgesellschaft. Wiesbaden 1978 Crystal-structure determination of euphenyl chloroacetate By M. F. C. LAI)», D. C. POVF.Y and H. P . G. WILLIAMS Department of Chemical Physics, University of Surrey, Guildford, Surrey- England (Received 23 September 1977) Abstract The crystal structure of euphenyl chloroacetate has been determined, and refined by least-squares methods to an R value of 0.10 on 1417 observed re- flexions. The crystals are monoclinic, space group Ρ 2 i , with

Zeitschrift für Kristallographie, Bd. 147, S. 187-195 (1978) © by Akademische Verlagsgesellschaft, Wiesbaden 1978 Crystal-structure determination of euphenyl chloroacetate By m. F. c. lad», D. c. Povey and H. P. G. williams Department of Chemical Physics, University of Surrey, Guildford, Surrey England (Received 23 September 1977) Abstract The crystal structure of euphenyl chloroacetate has been determined, and refined by least-squares methods to an B value of 0.10 on 1417 observed re- flexions. The crystals are monoclinic, space group P2i, with a = 7.335(3), b

Z. Kristallogr. Suppl. 23 (2006) 505-510 505 © by Oldenbourg Wissenschaftsverlag, München Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite N. Perchiazzi1 1Department of Earth Sciences, Università di Pisa. Via S.Maria 53, I-56126, Pisa, Italy *Contact author; e-mail: natale@dst.unipi.it Keywords: rosasite, mcguinnessite, structure determination, Rietveld refinement Abstract. The crystal structure of rosasite, (Cu, Zn)2(CO3)(OH)2, and mcguinnessite, (Mg,Cu)2(CO3)(OH)2 have been determined from powder data. The

American Mineralogist, Volume 94, pages 1144–1152, 2009 0003-004X/09/0809–1144$05.00/DOI: 10.2138/am.2009.3139 1144 Crystal structure determination of anandite-2M mica Thomas J. BuJnowski,1 sTephen GuGGenheim,1,* and Toshio kaTo2 1Department of Earth and Environmental Sciences, University of Illinois at Chicago, Chicago, Illinois 60607, U.S.A. 2Institute of Earth Sciences, Faculty of Liberal Arts, Yamaguchi University, Yoshida, Yamaguchi 753-8511, Japan aBsTracT Anandite, a trioctahedral mica, has an ideal chemical formula of Ba(FeMg)3(SiFe3+)O10(OH)S and a