Differences and similarities among hypoxanthinium nitrate hydrate structures

2019 ◽  
Vol 75 (8) ◽  
pp. 1036-1044 ◽  
Author(s):  
Małgorzata Katarzyna Cabaj ◽  
Roman Gajda ◽  
Anna Hoser ◽  
Anna Makal ◽  
Paulina Maria Dominiak
Keyword(s):  
Room Temperature ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
Acta Cryst ◽  
X Ray ◽  
Nitrate Hydrate ◽  
Different Temperatures ◽  
Lower Temperature ◽  
Low Temperature Phase ◽  
Nitrate Anions

Crystals of hypoxanthinium (6-oxo-1H,7H-purin-9-ium) nitrate hydrates were investigated by means of X-ray diffraction at different temperatures. The data for hypoxanthinium nitrate monohydrate (C5H5N4O+·NO3 −·H2O, Hx1) were collected at 20, 105 and 285 K. The room-temperature phase was reported previously [Schmalle et al. (1990). Acta Cryst. C46, 340–342] and the low-temperature phase has not been investigated yet. The structure underwent a phase transition, which resulted in a change of space group from Pmnb to P21/n at lower temperature and subsequently in nonmerohedral twinning. The structure of hypoxanthinium dinitrate trihydrate (H3O+·C5H5N4O+·2NO3 −·2H2O, Hx2) was determined at 20 and 100 K, and also has not been reported previously. The Hx2 structure consists of two types of layers: the `hypoxanthinium nitrate monohydrate' layers (HX) observed in Hx1 and layers of Zundel complex H3O+·H2O interacting with nitrate anions (OX). The crystal can be considered as a solid solution of two salts, i.e. hypoxanthinium nitrate monohydrate, C5H5N4O+·NO3 −·H2O, and oxonium nitrate monohydrate, H3O+(H2O)·NO3 −.

Formation of the high temperature phase in vacuum deposited SnSe thin films

1986 ◽  
Vol 175 (1-2) ◽  
Author(s):  
T. Subba Rao ◽  
B. K. Samantaray ◽  
A. K. Chaudhuri
Keyword(s):  
Thin Films ◽  
High Temperature ◽  
High Temperature Phase ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Glass Substrates ◽  
Different Temperatures ◽  
Substrate Temperatures ◽  
Low Temperature Phase

AbstractThin films of SnSe vacuum deposited on glass substrates kept at different temperatures have been studied by X-ray diffraction. It is observed that the high temperature phase of SnSe, usually found above 807 K is frozen in along with the low temperature phase when deposited at substrate temperatures of 473 K and above.

Electron Microscope study of commensurate-incommensurate phase transition in BaZnGeO4

1990 ◽  
Vol 48 (4) ◽  
pp. 172-173
Author(s):  
Naoki Yamamoto ◽  
Makoto Kikuchi ◽  
Tooru Atake ◽  
Akihiro Hamano ◽  
Yasutoshi Saito
Keyword(s):  
Phase Transition ◽  
Electron Microscope Study ◽  
Room Temperature ◽  
Hexagonal Lattice ◽  
Ferroelectric Materials ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Periodic Arrays ◽  
Modulation Wave Vector

BaZnGeO4 undergoes many phase transitions from I to V phase. The highest temperature phase I has a BaAl2O4 type structure with a hexagonal lattice. Recent X-ray diffraction study showed that the incommensurate (IC) lattice modulation appears along the c axis in the III and IV phases with a period of about 4c, and a commensurate (C) phase with a modulated period of 4c exists between the III and IV phases in the narrow temperature region (—58°C to —47°C on cooling), called the III' phase. The modulations in the IC phases are considered displacive type, but the detailed structures have not been studied. It is also not clear whether the modulation changes into periodic arrays of discommensurations (DC’s) near the III-III' and IV-V phase transition temperature as found in the ferroelectric materials such as Rb2ZnCl4.At room temperature (III phase) satellite reflections were seen around the fundamental reflections in a diffraction pattern (Fig.1) and they aligned along a certain direction deviated from the c* direction, which indicates that the modulation wave vector q tilts from the c* axis. The tilt angle is about 2 degree at room temperature and depends on temperature.

Single-Crystal X-Ray Scattering Study of Superstructures and Phase Transitions in Graphite-Hno3 and Graphite-Br2 Intercalation Compounds

1982 ◽  
Vol 20 ◽  
Author(s):  
R. Moret ◽  
R. Comes ◽  
G. Furdin ◽  
H. Fuzellier ◽  
F. Rousseaux
Keyword(s):  
Phase Transitions ◽  
Low Temperature ◽  
Room Temperature ◽  
Temperature Phase ◽  
Temperature Structure ◽  
X Ray ◽  
X Ray Scattering ◽  
Scattering Study ◽  
Temperature Liquid ◽  
Low Temperature Phase

ABSTRACTIn α-C5n-HNO3 the condensation of the room-temperature liquid-like diffuse ring associated with the disorder-order transition around 250 K is studied and the low-temperature. superstructure is examined.It is found that β-C8n-HNO3 exhibits an in-plane incommensurate order at room temperature.Two types of graphite-Br2 are found. Low-temperature phase transitions in C8Br are observed at T1 ≍ 277 K and T2 ≍ 297 K. The room-temperature structure of C14Br is reexamined. Special attention is given to diffuse scattering and incommensurability.

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 Compositional Dependence of Structural Properties of Prepared Alloys and Films

2011 ◽  
Vol 2011 ◽  
pp. 1-6
Author(s):  
M. F. A. Alias ◽  
A. A. J. Al-Douri ◽  
E. M. N. Al-Fawadi ◽  
A. A. Alnajjar
Keyword(s):  
Room Temperature ◽  
Thermal Evaporation ◽  
High Accuracy ◽  
Compositional Dependence ◽  
X Ray Diffraction ◽  
Thermal Evaporation Method ◽  
X Ray ◽  
Glass Substrates ◽  
Different Temperatures ◽  
Good Agreement

Results of a study of alloys and films with various Pb content have been reported and discussed. Films of of thickness 1.5 μm have been deposited on glass substrates by flash thermal evaporation method at room temperature, under vacuum at constant deposition rate. These films were annealed under vacuum around 10−6Torr at different temperatures up to 523 K. The composition of the elements in alloys was determined by standard surfaces techniques such as atomic absorption spectroscopy (AAS) and X-ray fluorescence (XRF), and the results were found of high accuracy and in very good agreement with the theoretical values. The structure for alloys and films is determined by using X-ray diffraction. This measurement reveals that the structure is polycrystalline with cubic structure and there are strong peaks at the direction (200) and (111). The effect of heat treatment on the crystalline orientation, relative intensity, and grain size of films is presented.

On the tetragonality of the room-temperature ferroelectric phase of barium titanate, BaTiO3

2009 ◽  
Vol 42 (3) ◽  
pp. 480-484 ◽  
Author(s):  
Dean S. Keeble ◽  
Pamela A. Thomas
Keyword(s):  
Barium Titanate ◽  
Diffraction Pattern ◽  
Room Temperature ◽  
Ferroelectric Material ◽  
Tetragonal Symmetry ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Group Assignment ◽  
Growth Method

The room-temperature phase of the important ferroelectric material barium titanate, BaTiO3, was re-investigated by single-crystal X-ray diffraction on a sample grown by the top-seeded solution growth method, with the intention of demonstrating once again that the structure has tetragonal symmetry consistent with the space-group assignmentP4mmand thus resolving recent controversy in the scientific community and literature [Yoshimura, Kojima, Tokunaga, Tozaki & Koganezawa (2006).Phys. Lett. A,353, 250–254; Yoshimura, Morioka, Kojima, Tokunaga, Koganezawa & Tozaki (2007).Phys. Lett. A,367, 394–401]. To this end, the X-ray diffraction pattern of a small (341 µm3) sample of top-seeded solution-grown BaTiO3was measured using an Oxford Diffraction Gemini CCD diffractometer employing Mo Kα radiation and an extended 120 mm sample-to-detector distance. More than 104individual diffraction maxima observed out to a maximum resolution of 0.4 Å were indexed on two tetragonal lattices. These were identical to within the standard deviations on the lattice parameters and were related to each other by a single rotation of 119.7° about the [11\overline1] direction of the first tetragonal lattice (the major twin component), although the actual twinning operation that explains the observed diffraction pattern both qualitatively and quantitatively is shown to be conventional 90° twinning by them[101] operation. Importantly, it is not necessary to invoke either monoclinic symmetry or a coexistence of tetragonal and monoclinic phases to explain the observed diffraction data.

INFLUENCE OF SAMARIUM SUBSTITUTION ON IMPEDANCE DIELECTRIC AND ELECTROMECHANICAL PROPERTIES OF Pb(1-x)K2xNb2O6

2007 ◽  
Vol 21 (06) ◽  
pp. 931-945 ◽  
Author(s):  
K. SAMBASIVA RAO ◽  
P. MURALI KRISHNA ◽  
D. MADHAVA PRASAD ◽  
JOON HYUNG LEE
Keyword(s):  
Impedance Spectroscopy ◽  
Room Temperature ◽  
Single Phase ◽  
Piezoelectric Properties ◽  
Orthorhombic Structure ◽  
X Ray Diffraction ◽  
Electromechanical Properties ◽  
X Ray ◽  
Different Temperatures ◽  
Ferroelectric Hysteresis

Ferroelectric, hysteresis, impedance spectroscopy parameters, AC conductivity, and piezoelectric properties in the ceramics of Pb 0.74 K 0.52 Nb 2 O 6 and Pb 0.74 K 0.13 Sm 0.13 Nb 2 O 6 have been studied. X-ray diffraction study reveals single phase with the orthorhombic structure. The samples were characterized for ferroelectric and impedance spectroscopy properties from room temperature to 600°C. Cole–Cole plots (Z″ versus Z′) are drawn at different temperatures. The results obtained are analyzed to understand the conductivity mechanism in both the samples. The piezoelectric constant d33 has been found to be 96 × 10-12 C/N in PKN.

A low temperature phase of (NH4)2TeBr6

1969 ◽  
Vol 47 (22) ◽  
pp. 4288-4289 ◽  
Author(s):  
A. K. Das ◽  
I. D. Brown
Keyword(s):  
Low Temperature ◽  
Tetragonal Phase ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Low Temperature Phase

X-Ray diffraction has shown the existence of a low temperature tetragonal phase of (NH4)2TeBr6 having space group P4/mnc(D4h6) with a = 7.501, c = 10.765 Å.

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