![[Issue Author Index]](/b/graphics/authorindexborder.gif)
![[Volume Author Index]](/b/graphics/volumeauthorindexborder.gif)
![[Cover illustration]](/b/issues/2009/05/00/graphics/coverill.gif)
|
|
|
|
Cover illustration: Though cyclohexanol is a simple compound it has a rich phase diversity at low temperature. It forms a disordered glassy phase on cooling, but this can be transformed into ordered phases (II), (III) and the metastable (III'), which all have different hydrogen-bonding motifs. The series of transitions is attributable to the conformational flexibility of the hydroxyl group [Ibberson et al. (2008). Acta Cryst. B64, 573-582]. |
Acta Cryst. (2009). B65, 519-526 [ doi:10.1107/S0108768109026986 ]
![[delta]](/logos/entities/delta_rmgif.gif)
As2 [ = 0.015 (2)] - a new distortion variant of the HfCuSi2 type with irregularly stacked cis-trans chains of arsenic atomsSynopsis: The modulated structure CeAu1-As2, a new distortion variant of the HfCuSi2 type, is described.
Online 28 August 2009
Acta Cryst. (2009). B65, 527-534 [ doi:10.1107/S0108768109029565 ]
As2 and TbAu1-As2 - new distortion variants of the HfCuSi2 type with irregularly stacked zigzag chains of arsenic atomsSynopsis: Three modulated structures of lanthanide coinage-metal diarsenides are presented and discussed as new distortion variants of the HfCuSi2 type.
Online 28 August 2009
Acta Cryst. (2009). B65, 535-542 [ doi:10.1107/S0108768109025300 ]
![[less-than or equal to]](/logos/entities/le_rmgif.gif)
0.1)Synopsis: It is shown that there is a close relationship between the modulation of the atomic positions and the modulation of the magnetic moments of Mn ions in CaCuxMn7-xO12 compounds for x = 0 and x = 0.1 at low temperatures.
Online 28 August 2009
Acta Cryst. (2009). B65, 543-550 [ doi:10.1107/S0108768109029127 ]
Synopsis: Wavefunctions with up to third-order harmonics were refined in order to describe the positional modulation of incommensurate low tridymite. The structural modulation is accompanied by an additional modulation of the anisotropic displacement parameters.
Online 28 August 2009
Acta Cryst. (2009). B65, 551-557 [ doi:10.1107/S0108768109029334 ]
Synopsis: Caesium disulfate represents a new structure type with a uniquely high number of independent formula units at 120 K. Between 230 and 250 K it shows an order-disorder transition. The Cs+-ion arrangement shows a remarkable similarity to the high-pressure RbIV metal structure.
Online 28 August 2009
Acta Cryst. (2009). B65, 558-566 [ doi:10.1107/S010876810902833X ]
Synopsis: Solid solutions of La2TiO5 and La4Ga2O9 were structurally characterized by X-ray powder diffraction. The structural relationship between end members - orthorhombic La2TiO5 and monoclinic La4Ga2O9 - was elucidated.
Online 28 August 2009
Acta Cryst. (2009). B65, 567-575 [ doi:10.1107/S0108768109030419 ]
![[asymptotically equal to]](/logos/entities/sime_rmgif.gif)
5/3) as a commensurate composite crystalSynopsis: A new Eu-SiAlON crystal, Eu3Si15 - xAl1 + xOxN23 - x (x 5/3), was grown. Its structure is considered to be that of a commensurate composite crystal. A structure model in (3 + 1)-dimensional superspace is also proposed.
Online 28 August 2009
Acta Cryst. (2009). B65, 576-586 [ doi:10.1107/S0108768109027177 ]
Synopsis: Ternary fluorides BaMF4 (M = Zn, Mg, Mn) have been studied in the temperature range from 300 to 10 K.
Online 28 August 2009
Acta Cryst. (2009). B65, 587-592 [ doi:10.1107/S0108768109026974 ]
Synopsis: The modulated structure of Sr10Ga6O19 at ambient temperature has been investigated. At high temperature, two phase transitions (one between 453 and 503 K and the other between 503 and 673 K) have been found.
Online 28 August 2009
Acta Cryst. (2009). B65, 593-599 [ doi:10.1107/S0108768109029760 ]
Ni2Br5 - 2 ( = 1/9)Synopsis: The sub-bromide Bi7 - Ni2Br5 - 2 contains Bi3Ni rods, which are isolated by a bromido-bismuthate matrix. A structure model is developed in (3 + 1)-dimensional superspace.
Online 17 September 2009
Acta Cryst. (2009). B65, 600-611 [ doi:10.1107/S0108768109028626 ]
![[mu]](/logos/entities/mu_rmgif.gif)
-X)2L2]![[infinity]](/logos/entities/infin_rmgif.gif)
(M = Zn, Cd; X = Cl, Br; L = substituted pyridine) - an electron density studySynopsis: Topological analyses of the experimental electron-density distributions in crystals of five chain polymers [M(-X)2(py)2] (M = Zn, Cd; X = Cl, Br; py = 3,5-substituted pyridine) confirmed the existence of (3, -1) critical points both for intuitively strong chemical bonds and for secondary interactions. The latter comprise intra- and inter-strand C-H
X-M hydrogen bonds and C-XX-C interhalogen contacts and stabilize the polymeric structures unusual for Zn as the metal center.
Online 28 August 2009
Acta Cryst. (2009). B65, 612-623 [ doi:10.1107/S0108768109027207 ]
Synopsis: Structure analysis of GS (ground state) and two light-induced (SI and SII) metastable linkage NO isomers of [Ru(py)4Cl(NO)](PF6)2·0.5H2O is presented. The experimental results are compared with solid-state calculations based on density functional theory (DFT). The influence of the different occupancies of the metastable isomer SI and GS on the refinement results was solved by a simulation procedure.
Online 17 September 2009
Acta Cryst. (2009). B65, 624-638 [ doi:10.1107/S0108768109026767 ]
Synopsis: The maximum-entropy charge densities of six amino acids and peptides reveal systematic dependencies of the properties at bond critical points on bond lengths. MEM densities demonstrate that low-order multipoles (lmax = 1) and isotropic atomic displacement parameters for H atoms in the multipole model are insufficient for capturing all the features of charge densities in hydrogen bonds.
Online 28 August 2009
Acta Cryst. (2009). B65, 639-646 [ doi:10.1107/S0108768109027244 ]
Synopsis: The crystalline structure of ethyl 1',2',3',4',4a',5',6',7'-octahydrodispiro[cyclohexane-1,2'-quinazoline-4',1''-cyclohexane]-8'-carbodithioate, C21H34N2S2, a bidentate pro-ligand with a coordination sphere of the type [NS]1-, was solved and refined from synchrotron powder diffraction data, and compared with in-vacuum density-functional theory (DFT) B3LYP/6-311G* and solid-state density-functional tight-binding (DFTB) theoretical calculations.
Online 17 September 2009
Acta Cryst. (2009). B65, 647-658 [ doi:10.1107/S0108768109028821 ]
Synopsis: Quantum-topological analysis of electron density and density-based functions is used to reveal the role of the Lewis-type molecular complementarity, the electrostatic force field and the features of the exchange and correlation energy density in forming the observed three-dimensional structure of the ![[alpha]](/logos/entities/alpha_rmgif.gif)
-N2O4 crystal.
Online 28 August 2009
Copyright © International Union of Crystallography
IUCr Webmaster
![[HTML version]](/b/graphics/htmlborder.gif)
![[PDF version]](/b/graphics/pdfborder.gif)
![[CIF]](/b/graphics/cifborder.gif)
![[3d view]](/b/graphics/3dviewborder.gif)
![[Structure Factors]](/b/graphics/structurefactorsborder.gif)
![[Buy article online]](/logos/buy.gif)
![[Powder data files]](/b/graphics/powderdataborder.gif)
![[Supplementary Material]](/b/graphics/supplementarymaterialsborder.gif)
![[Video data file]](/b/graphics/videoborder.gif)
![[AD]](/b/graphics/erratumborder.gif)
![[Open access]](/b/graphics/free.gif)