A Crystallographically Supported Equation for Calculating Water in Emerald from the Sodium Content

2021 ◽  
Author(s):  
Rhiana E. Henry ◽  
Lee A. Groat ◽  
R. James Evans ◽  
Jan Cempírek ◽  
Radek Škoda
Keyword(s):  
Water Content ◽  
Analytical Techniques ◽  
Simple Calculation ◽  
Weight Percent ◽  
Sodium Content ◽  
Type I ◽  
Type Ii ◽  
Charge Balance ◽  
X Ray Diffraction ◽  
Cation Substitutions

ABSTRACT Emerald is the most well-recognized beryl (Be3Al2Si6O18) variety, and although it has been extensively studied, a satisfactory method for quantifying the water content within the structural channels of the crystal lattice has yet to be proposed. Water is frequently present in the structural channels of beryl and can occur in two orientations (Type I and Type II). While spectroscopic methods are ideal for determining the orientation of the water molecules, measuring the overall water content often requires expensive or destructive analytical techniques. Sodium is necessary to charge-balance divalent cation substitutions at the Al site of beryl; it is also correlated with H2O in the structural channels, which typically occurs as Type II water. In this study, we present equations that can be used to easily calculate the H2O content of an emerald beryl with significant Na+ content based on either Na+apfu or Na2O weight percent. Unlike previous work, these equations are derived from single-crystal X-ray diffraction data which can be used to accurately measure both the Na+ and H2O contents. We checked the validity of the data using electron probe microanalyses for elements heavier than O. We compared the results with hypothetical scenarios in which different cation substitutions are prevalent, as weight percentages are variable based on the elemental contents. Our results indicate that Na+ or Na2O weight percent can be used to calculate H2O content in emerald beryl with reasonable accuracy, which will allow future researchers to use a simple calculation instead of expensive or destructive techniques when determining H2O content in emeralds.

Transport Properties of Type II Sodium-Silicon Clathrates

2005 ◽  
Vol 886 ◽  
Author(s):  
Matt Beekman ◽  
Jan Grkyo ◽  
George S. Nolas
Keyword(s):  
Thermal Conductivity ◽  
Sodium Content ◽  
Type I ◽  
Type Ii ◽  
Conductivity Measurements ◽  
Scanning Calorimetry ◽  
Resistivity Measurements ◽  
Silicon Clathrates ◽  
Covalently Bonded ◽  
First Time

ABSTRACTWe have synthesized the type II silicon clathrates Na1Si136 and Na8Si136, and report on the electrical and thermal transport in these materials. The crystal structure consists of a covalently bonded silicon framework in which sodium guest atoms are encapsulated inside the silicon host framework. Differential scanning calorimetry measurements show the compounds decompose above 600°C to diamond-structure silicon. Temperature dependant electrical resistivity measurements show the specimens to have an insulating character, with magnitudes that decrease with increasing sodium content. For the first time, thermal conductivity measurements on type II sodium-silicon clathrates are presented. The thermal conductivity is very low for both specimens, and for Na8Si136 exhibits a clear dip in the range from 50 to 70 K. These data suggest that the “rattling” behavior observed in type I clathrates may also be present in type II clathrates.

X-ray structure determination of the monoclinic (121 K) and orthorhombic (85 K) phases of langbeinite-type dithallium dicadmium sulfate

2000 ◽  
Vol 56 (6) ◽  
pp. 921-935 ◽  
Author(s):  
A. Guelylah ◽  
G. Madariaga ◽  
W. Morgenroth ◽  
M. I. Aroyo ◽  
T. Breczewski ◽  
...  
Keyword(s):  
Orthorhombic Symmetry ◽  
Type I ◽  
Type Ii ◽  
Monoclinic Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Distortion Analysis ◽  
Precise Analysis ◽  
Monoclinic Distortion

The structures of the monoclinic and the orthorhombic phases of type I langbeinite Tl2Cd2(SO4)3 have been determined at 121 and 85 K, respectively, by X-ray diffraction. A precise analysis of these structures shows the existence of some differences compared to langbeinites of type II. The monoclinic structure differs very little from the high-temperature cubic structure and the distortion relating the monoclinic structure to the cubic one is very small. SO4 tetrahedra seem to rotate under orthorhombic symmetry in the monoclinic phase. A symmetry distortion analysis of the ferroelectric monoclinic distortion discloses the importance of the secondary modes with orthorhombic symmetry, especially for the O atoms of the SO4 groups.

scholarly journals Acemetacin cocrystal structures by powder X-ray diffraction

IUCrJ ◽  
2017 ◽  
Vol 4 (3) ◽  
pp. 206-214 ◽  
Author(s):  
Geetha Bolla ◽  
Vladimir Chernyshev ◽  
Ashwini Nangia
Keyword(s):  
Crystal Structures ◽  
Molecular Electrostatic Potential ◽  
Acid Group ◽  
Mutual Orientation ◽  
Type I ◽  
Type Ii ◽  
Melt Crystallization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrogen Bond Interactions

Cocrystals of acemetacin drug (ACM) with nicotinamide (NAM),p-aminobenzoic acid (PABA), valerolactam (VLM) and 2-pyridone (2HP) were prepared by melt crystallization and their X-ray crystal structures determined by high-resolution powder X-ray diffraction. The powerful technique of structure determination from powder data (SDPD) provided details of molecular packing and hydrogen bonding in pharmaceutical cocrystals of acemetacin. ACM–NAM occurs in anhydrate and hydrate forms, whereas the other structures crystallized in a single crystalline form. The carboxylic acid group of ACM forms theacid–amide dimer three-point synthonR32(9)R22(8)R32(9) with three differentsynamides (VLM, 2HP and caprolactam). The conformations of the ACM molecule observed in the crystal structures differ mainly in the mutual orientation of chlorobenzene fragment and the neighboring methyl group, beinganti(type I) orsyn(type II). ACM hydrate, ACM—NAM, ACM–NAM-hydrate and the piperazine salt of ACM exhibit the type I conformation, whereas ACM polymorphs and other cocrystals adopt the ACM type II conformation. Hydrogen-bond interactions in all the crystal structures were quantified by calculating their molecular electrostatic potential (MEP) surfaces. Hirshfeld surface analysis of the cocrystal surfaces shows that about 50% of the contribution is due to a combination of strong and weak O...H, N...H, Cl...H and C...H interactions. The physicochemical properties of these cocrystals are under study.

scholarly journals Phonon Characterization, Structural and Optical Properties of Type-II CdSe/CdTe core/shell and Type-II/type-I CdSe/CdTe/ZnS core/shell/shell Quantum Dots

2020 ◽  
Vol 36 (3) ◽  
Author(s):  
Nguyen Xuan Ca ◽  
Nguyen Thi Hien
Keyword(s):  
Quantum Dots ◽  
Optical Properties ◽  
Excitation Power ◽  
Cubic Phase ◽  
Core Shell ◽  
Type I ◽  
Type Ii ◽  
X Ray Diffraction ◽  
Cdte Core ◽  
Observation Results

The CdSe, type-II CdSe/CdTe core/shell and type-II/type-I CdSe/CdTe/ZnS core/shell/shell  quantum dots (QDs) were successfully synthesized in a noncoordinating solvent. The phonon characterizations, optical properties and structures of the synthesized QDs were characterized by Raman scattering (RS) spectra, photoluminescence (PL) spectroscopy, PL-decay lifetime, absorption spectroscopy (Abs), and X-ray diffraction (XRD). The growth of QDs was monitored by using RS, which demonstrated the formation of correct of the core/shell and core/shell/shell structures. Observation results from XRD reveal that all QDs crystallize in the cubic phase with zinc-blende structure. The typical characteristics of spatially indirect recombination for type-II QDs were observed through Abs and PL spectroscopy. The ZnS shell significantly enhanced the PL quantum yeild (QY), the optical durability, the chemical stability and separating CdSe/CdTe QDs from the surroundings. The effect of excitation power on the PL properties of the CdSe core,  CdSe/CdTe and CdSe/CdTe/ZnS QDs has been investigated.

scholarly journals Relationship between the Paradox of Enrichment and the Dynamics of Persistence and Extinction in Prey-Predator Systems

Symmetry ◽  
2018 ◽  
Vol 10 (10) ◽  
pp. 532
Author(s):  
Jawdat Alebraheem
Keyword(s):  
Numerical Simulations ◽  
Carrying Capacity ◽  
Analytical Techniques ◽  
Type I ◽  
Type Ii ◽  
New Approach ◽  
Predator Prey ◽  
Paradox Of Enrichment ◽  
The One ◽  
Predator System

The paradox of the enrichment phenomenon, considered one of the main counterintuitive observations in ecology, likely destabilizes predator–prey dynamics by increasing the nutrition of the prey. We use two systems to study the occurrence of the paradox of enrichment: The prey–predator system and the one prey, two predators system, with Holling type I and type II functional and numerical responses. We introduce a new approach that involves the connection between the occurrence of the enrichment paradox and persistence and extinction dynamics. We apply two main analytical techniques to study the persistence and extinction dynamics of two and three trophics, respectively. The linearity and nonlinearity of functional and numerical responses plays important roles in the occurrence of the paradox of enrichment. We derive the persistence and extinction conditions through the carrying capacity parameter, and perform some numerical simulations to demonstrate the effects of the paradox of enrichment when increasing carrying capacity.

Effect of extracellular osmolality on cell volume and resting metabolism in mammalian skeletal muscle

2007 ◽  
Vol 292 (5) ◽  
pp. R1994-R2000 ◽  
Author(s):  
AnaMaria Antolic ◽  
Rosemarie Harrison ◽  
Chris Farlinger ◽  
Naomi M. Cermak ◽  
Sandra J. Peters ◽  
...  
Keyword(s):  
Skeletal Muscle ◽  
Water Content ◽  
Cell Volume ◽  
Muscle Model ◽  
Type I ◽  
Mammalian Skeletal Muscle ◽  
Type Ii ◽  
Cross Sectional ◽  
Hyperosmotic Condition ◽  
Muscle Types

The purpose of the present investigation was to establish an in vitro mammalian skeletal muscle model to study acute alterations in resting skeletal muscle cell volume. Isolated, whole muscles [soleus and extensor digitorum longus (EDL)] were dissected from Long-Evans rats and incubated for 60 min in Sigma medium 199 (1 g of resting tension, bubbled with 95% O2-5% O2, 30 ± 2°C, and pH 7.4). Medium osmolality was altered to simulate hyposmotic (190 ± 10 mmol/kg) or hyperosmotic conditions (400 ± 10 mmol/kg), whereas an isosmotic condition (290 ± 10 mmol/kg) served as a control. After incubation, relative water content of the muscle decreased with hyperosmotic and increased with hyposmotic condition in both muscle types ( P < 0.05). The cross-sectional area of soleus type I and type II fibers increased ( P < 0.05) in hyposmotic, whereas hyperosmotic exposure led to no detectable changes. The EDL type II fiber area decreased in the hyperosmotic condition and increased after hyposmotic exposure, whereas no change was observed in EDL type I fibers. Furthermore, exposure to the hyperosmotic condition in both muscle types resulted in decreased muscle ATP and phosphocreatine ( P < 0.05) contents and increased creatine and lactate contents ( P < 0.05) compared with control and hyposmotic conditions. This isolated skeletal muscle model proved viable and demonstrated that altering extracellular osmolality could cause acute alterations in muscle water content and resting muscle metabolism.

Lactate dehydrogenase from the hyperthermophilic archaeon Methanococcus jannaschii: overexpression, crystallization and preliminary X-ray analysis

2000 ◽  
Vol 56 (1) ◽  
pp. 81-83 ◽  
Author(s):  
Byung Il Lee ◽  
Changsoo Chang ◽  
Seung-Je Cho ◽  
Gye Won Han ◽  
Yeon Gyu Yu ◽  
...  
Keyword(s):  
Type I ◽  
X Rays ◽  
Type Ii ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Protein Mass ◽  
Crystal Volume

L(+)-Lactate dehydrogenase (LDH) is a key enzyme in anaerobic metabolism which converts pyruvate to lactate. LDH from the hyperthermophilic archaebacterium Methanococcus jannaschii has been overexpressed in Escherichia coli and crystallized in two crystal forms at 297 K using 2-methyl-2,4-pentanediol as precipitant. Type I crystals grew rapidly and diffracted to at least 2.8 Å Bragg spacing upon exposure to Cu Kα X-rays. X-ray diffraction data to 2.9 Å have been collected from a native crystal. The type I crystal is tetragonal, belonging to the space group P42212, with unit-cell parameters a = b = 99.74, c = 170.00 Å. The asymmetric unit contains two LDH subunits, with a corresponding crystal volume per protein mass (V m ) of 3.05 Å3 Da−1 and a solvent content of 59.7%. Type II crystals, which grew more slowly, diffracted to at least 1.8 Å Bragg spacing upon exposure to Cu Kα X-rays. X-ray diffraction data to 1.9 Å have been collected from a native crystal. The type II crystal is orthorhombic, belonging to the space group P21212, with unit-cell parameters a = 47.65, b = 125.10, c = 58.08 Å. The asymmetric unit contains a single LDH subunit, with a corresponding crystal volume per protein mass (V m ) of 2.50 Å3 Da−1 and a solvent content of 50.8%. Therefore, the type II crystal is more suitable for high-resolution structure determination than the type I crystal.

Comparative study of the structural and optical properties of CIS films prepared by RFmagnetron sputtering and selenization of elemental layers

2001 ◽  
Vol 668 ◽  
Author(s):  
António F. Cunha ◽  
M.M. Pereira de Azevedo ◽  
Ricardo J.O. Ferrão ◽  
A.A.C.S. Lourenço ◽  
Claude Boemare
Keyword(s):  
Magnetron Sputtering ◽  
Raman Scattering ◽  
Rf Magnetron Sputtering ◽  
Optical Measurements ◽  
Chalcopyrite Structure ◽  
Type I ◽  
Type Ii ◽  
X Ray Diffraction ◽  
Type Iii ◽  
Post Deposition

ABSTRACTWe report on a study where the properties of films obtained by RF-magnetron sputtering and by Selenization of elemental precursor layers are analysed by Raman scattering, x-ray diffraction and optical measurements. Three routes were followed to prepare CIS films on glass. CIS type-I was prepared by selenization at various temperatures, CIS type-II was prepared by RF-magnetron sputtering on room temperature substrate followed by annealing at 450°C in air for 10 min and CIS type-III was prepared by RF-magnetron sputtering on a substrate at a temperature ranging from 200°C up to 500°C with a post-deposition annealing in the same conditions as for CIS type-II. Correlating the results from x-ray diffraction with the Raman scattering and optical measurements it was possible to establish unequivocally the formation of CIS with the chalcopyrite structure for CIS type-I at 400°C. Through the same procedure it was possible to establish a way to produce CIS type-II with the chalcopyrite structure. A high density of defects was inferred from the transmission results. Finally the growth dynamics of CIS type-III was studied. It was observed a structural/compositional transition around substrate temperature of 300°C. It was observed that all the films had a sphalerite structure even for the highest substrate temperatures. It was establish the need for a post-deposition annealing to obtain CIS type-III with the chalcopyrite structure. The Raman scattering was found to be a very sensitive technique that allowed us to uncover a difference in the CIS type-I and II with the chalcopyrite structure.

Low-Angle X-Ray Diffraction and Electron-Microscope Studies of Isolated Erythrocyte Membranes

1970 ◽  
Vol 7 (2) ◽  
pp. 357-371
Author(s):  
S. KNUTTON ◽  
J. B. FINEAN ◽  
R. COLEMAN ◽  
A. R. LIMBRICK
Keyword(s):  
Erythrocyte Membranes ◽  
Multiphase System ◽  
Type I ◽  
Type Ii ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structural Differences ◽  
Diffraction Patterns ◽  
Haemoglobin Content ◽  
Human Erythrocyte Ghost

Two alternative sequences of low angle X-ray diffraction patterns (Type I and Type II) have been observed during the controlled dehydration of rat (and human) erythrocyte ghost preparations in which the residual haemoglobin content has varied. The Type I sequence has been obtained when haemoglobin has comprised more than 30% of the total protein of the membrane preparation. It features an initial lamellar pattern that has been interpreted in terms of a predominantly continuous lipoprotein sandwich structure. Subsequent changes in diffraction pattern have been suggested to represent a partial breakdown of the lipoprotein structure to give a multiphase system. The Type II sequence was most readily obtained from haemoglobin-free ghosts. At no stage during the dehydration of these ghosts did the diffraction feature a stable lamellar pattern. At all levels of hydration the X-ray reflections appeared to represent independent lipid and lipoprotein phases. Osmium tetroxide fixation of haemoglobin-free membranes prevented the separation of lipid and lipoprotein phases during dehydration. Comparisons of electron micrographs of condensed membrane preparations have revealed some structural differences between membranes which give rise to the Type I and Type II diffraction sequences.

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