A comparison of room-temperature single-crystal neutron and x-ray diffraction studies of the bis(triphenylphosphine)iminium salt of the .mu.-hydro-decacarbonyldichromate(1-) monoanion

1978 ◽  
Vol 17 (12) ◽  
pp. 3460-3469 ◽  
Author(s):  
Jeffrey L. Petersen ◽  
Paul L. Johnson ◽  
Jim O'Connor ◽  
Lawrence F. Dahl ◽  
Jack M. Williams
Keyword(s):  
Single Crystal ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
X Ray ◽  
Iminium Salt

Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature

CrystEngComm ◽  
2021 ◽  
Author(s):  
Gennady V. Shilov ◽  
Elena I. Zhilyaeva ◽  
Sergey M. Aldoshin ◽  
Alexandra M Flakina ◽  
Rustem B. Lyubovskii ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electrical Resistivity ◽  
Single Crystal ◽  
Room Temperature ◽  
Organic Conductor ◽  
X Ray Diffraction ◽  
X Ray ◽  
Resistivity Measurements ◽  
Molecular Conductor ◽  
Abrupt Changes

Electrical resistivity measurements of a dual layered organic conductor (ET)4ZnBr4(1,2-C6H4Cl2) above room temperature show abrupt changes in resistivity at 320 K. Single-crystal X-ray diffraction studies in the 100-350 K range...

The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C5H7N2)[FeIII(H2O)4(SO4)2]

2019 ◽  
Vol 75 (6) ◽  
pp. 1144-1151
Author(s):  
Tamara J. Bednarchuk ◽  
Wolfgang Hornfeck ◽  
Vasyl Kinzhybalo ◽  
Zhengyang Zhou ◽  
Michal Dušek ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Single Crystal ◽  
Room Temperature ◽  
Variable Temperature ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Hybrid Compound ◽  
Space Group ◽  
X Ray

The organic–inorganic hybrid compound 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C5H7N2)[FeIII(H2O)4(SO4)2] (4apFeS), was obtained by slow evaporation of the solvent at room temperature and characterized by single-crystal X-ray diffraction in the temperature range from 290 to 80 K. Differential scanning calorimetry revealed that the title compound undergoes a sequence of three reversible phase transitions, which has been verified by variable-temperature X-ray diffraction analysis during cooling–heating cycles over the temperature ranges 290–100–290 K. In the room-temperature phase (I), space group C2/c, oxygen atoms from the closest Fe-atom environment (octahedral) were disordered over two equivalent positions around a twofold axis. Two intermediate phases (II), (III) were solved and refined as incommensurately modulated structures, employing the superspace formalism applied to single-crystal X-ray diffraction data. Both structures can be described in the (3+1)-dimensional monoclinic X2/c(α,0,γ)0s superspace group (where X is ½, ½, 0, ½) with modulation wavevectors q = (0.2943, 0, 0.5640) and q = (0.3366, 0, 0.5544) for phases (II) and (III), respectively. The completely ordered low-temperature phase (IV) was refined with the twinning model in the triclinic P{\overline 1} space group, revealing the existence of two domains. The dynamics of the disordered anionic substructure in the 4apFeS crystal seems to play an essential role in the phase transition mechanisms. The discrete organic moieties were found to be fully ordered even at room temperature.

scholarly journals The caesium phosphates Cs3(H1.5PO4)2(H2O)2, Cs3(H1.5PO4)2, Cs4P2O7(H2O)4, and CsPO3

2020 ◽  
Vol 151 (9) ◽  
pp. 1317-1328
Author(s):  
Matthias Weil ◽  
Berthold Stöger
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Single Crystal ◽  
Diffraction Data ◽  
Room Temperature ◽  
Structure Type ◽  
Solid State Reactions ◽  
X Ray Diffraction ◽  
Hydrogen Phosphate ◽  
X Ray

Abstract The caesium phosphates Cs3(H1.5PO4)2(H2O)2 and Cs3(H1.5PO4)2 were obtained from aqueous solutions, and Cs4P2O7(H2O)4 and CsPO3 from solid state reactions, respectively. Cs3(H1.5PO4)2, Cs4P2O7(H2O)4, and CsPO3 were fully structurally characterized for the first time on basis of single-crystal X-ray diffraction data recorded at − 173 °C. Monoclinic Cs3(H1.5PO4)2 (Z = 2, C2/m) represents a new structure type and comprises hydrogen phosphate groups involved in the formation of a strong non-symmetrical hydrogen bond (accompanied by a disordered H atom over a twofold rotation axis) and a very strong symmetric hydrogen bond (with the H atom situated on an inversion centre) with symmetry-related neighbouring anions. Triclinic Cs4P2O7(H2O)4 (Z = 2, P$$\bar{1}$$ 1 ¯ ) crystallizes also in a new structure type and is represented by a diphosphate group with a P–O–P bridging angle of 128.5°. Although H atoms of the water molecules were not modelled, O···O distances point to hydrogen bonds of medium strengths in the crystal structure. CsPO3 is monoclinic (Z = 4, P21/n) and belongs to the family of catena-polyphosphates (MPO3)n with a repetition period of 2. It is isotypic with the room-temperature modification of RbPO3. The crystal structure of Cs3(H1.5PO4)2(H2O)2 was re-evaluated on the basis of single-crystal X-ray diffraction data at − 173 °C, revealing that two adjacent hydrogen phosphate anions are connected by a very strong and non-symmetrical hydrogen bond, in contrast to the previously described symmetrical bonding situation derived from room temperature X-ray diffraction data. In the four title crystal structures, coordination numbers of the caesium cations range from 7 to 12. Graphic abstract

Temperature dependence of the AV3O7 (A = Ca, Sr) structure

2007 ◽  
Vol 63 (6) ◽  
pp. 836-842 ◽  
Author(s):  
Sebastian Prinz ◽  
Karine M. Sparta ◽  
Georg Roth
Keyword(s):  
Single Crystal ◽  
Temperature Dependence ◽  
Crystal Structures ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
X Ray ◽  
Space Groups ◽  
Temperature Ranges ◽  
First Time

The V4+ (spin ½) oxovanadates AV3O7 (A = Ca, Sr) were synthesized and studied by means of single-crystal X-ray diffraction. The room-temperature structures of both compounds are orthorhombic and their respective space groups are Pnma and Pmmn. The previously assumed structure of SrV3O7 has been revised and the temperature dependence of both crystal structures in the temperature ranges 297–100 K and 315–100 K, respectively, is discussed for the first time.

Crystal structures of the simple monoclinic and orthorhombic polytypes of tripotassium hexacyanoferrate(III)

1978 ◽  
Vol 31 (6) ◽  
pp. 1195 ◽  
Author(s):  
BN Figgis ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Room Temperature ◽  
Potassium Ferricyanide ◽  
X Ray Diffraction ◽  
X Ray ◽  
Monoclinic Form

The room-temperature (295 K) crystal structures of potassium ferricyanide, K3[Fe(CN)6], have been determined for the simplest monoclinic (a reinvestigation) and orthorhombic polytypes by single- crystal X-ray diffraction. The monoclinic form is P21/c, a 7.047(3), b 10.400(3), c 8.384(3) Ǻ, β 107.29(3)°, Z 2. The iron atoms lie on special positions with symmetry 1. In the orthorhombic form, Pnca, a 13.422(6), b 10.396(4), 8.381(4) Ǻ, Z4, the iron atoms now lie on special positions with symmetry 2 (parallel to c). Residuals are 0.036 and 0.048 for 1232 and 855 'observed' reflections respectively.

scholarly journals [HMIM][Br9]: a Room-temperature Ionic Liquid Based on a Polybromide Anion

2013 ◽  
Vol 68 (10) ◽  
pp. 1103-1107 ◽  
Author(s):  
Heike Haller ◽  
Michael Hog ◽  
Franziska Scholz ◽  
Harald Scherer ◽  
Ingo Krossing ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Raman Spectroscopy ◽  
Ionic Liquid ◽  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Room Temperature ◽  
High Electrical Conductivity ◽  
Conductivity Measurements ◽  
X Ray Diffraction ◽  
X Ray

[HMIM][Br9] ([HMIM]=1-hexyl-3-methylimidazolium) has been investigated by Raman spectroscopy, single-crystal X-ray diffraction and NMR spectroscopy. Conductivity measurements show a high electrical conductivity like other polybromides.

Growth and Magneto-Optical Properties of CaTbAlO4 Crystal

2011 ◽  
Vol 306-307 ◽  
pp. 1722-1727 ◽  
Author(s):  
Man Mei ◽  
Li Li Cao ◽  
Yan He ◽  
Ru Ru Zhang ◽  
Fei Yun Guo ◽  
...  
Keyword(s):  
Optical Properties ◽  
Single Crystal ◽  
Room Temperature ◽  
Near Infrared ◽  
Visible Region ◽  
Czochralski Method ◽  
Optical Devices ◽  
X Ray Diffraction ◽  
X Ray ◽  
Infrared Spectral

The calcium terbium aluminate (CaTbAlO4) single crystal was grown by Czochralski method successfully for the first time.The structure of the crystal was determined by X-ray diffraction analysis.The transmission spectrum of the crystal was measured at room temperature at the wavelength of 400-1500nm.The specific Faraday rotation of the single crystal was surveyed at room temperature at the wavelength 532nm, 633nm, and 1064nm respectively.The Verdet constants of the CaTbAlO4 crystal are calculated and the results show that the Verdet constants of CaTbAlO4 are around 110% higher than that of TGG in the visible and near-infrared spectral region.Therefore,crystal CaTbAlO4 can be promising material for the fabrication of magneto-optical devices in the visible region.

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