scholarly journals Ontogenetic variability in crystallography and mosaicity of conodont apatite: implications for microstructure, palaeothermometry and geochemistry

2020 ◽  
Vol 7 (7) ◽  
pp. 200322
Author(s):  
Mohammad Shohel ◽  
Neo E. B. McAdams ◽  
Bradley D. Cramer ◽  
Tori Z. Forbes
Keyword(s):  
Developmental Stages ◽  
Single Species ◽  
Relative Increase ◽  
X Ray Diffraction ◽  
Systematic Testing ◽  
Cell Dimensions ◽  
Crown Tissue ◽  
Element Type ◽  
Unit Cell Dimensions ◽  
Insight Into

X-ray diffraction data from Silurian conodonts belonging to various developmental stages of the species Dapsilodus obliquicostatus demonstrate changes in crystallography and degree of nanocrystallite ordering (mosaicity) in both lamellar crown tissue and white matter. The exclusive use of a single species in this study, combined with systematic testing of each element type at multiple locations, provided insight into microstructural and crystallographic differentiation between element type ( S a , S b - c , M ) as well as between juveniles and adults. A relative increase in the unit cell dimensions a / c ratio of nanocrystallites during growth was apparent in areas demonstrating single-crystal behaviour, but no such relationship was seen in dominantly polycrystalline areas. Systematic variations in mosaicity were identified, with mosaicity (as a proxy for disorder) increasing during growth, as well as along elements from tip to base. These results provide potential insight into the integrity of conodont apatite as a recorder of palaeoseawater chemistry, as well as demonstrate the need to consider the influence of ontogeny and element type on the use of conodonts in palaeothermometry and geochemical investigations.

Crystallization and preliminary X-ray diffraction studies of human catalase

1999 ◽  
Vol 55 (9) ◽  
pp. 1614-1615 ◽  
Author(s):  
R. A. P. Nagem ◽  
E. A. L. Martins ◽  
V. M. Gonçalves ◽  
R. Aparício ◽  
I. Polikarpov
Keyword(s):  
Search Model ◽  
Molecular Replacement ◽  
X Ray Diffraction ◽  
Beef Liver ◽  
X Ray ◽  
Diffusion Technique ◽  
Cell Dimensions ◽  
Synchrotron Radiation Diffraction ◽  
Replacement Solution ◽  
Unit Cell Dimensions

The enzyme catalase (H2O2–H2O2 oxidoreductase; E.C. 11.1.6) was purified from haemolysate of human placenta and crystallized using the vapour-diffusion technique. Synchrotron-radiation diffraction data have been collected to 1.76 Å resolution. The enzyme crystallized in the space group P212121, with unit-cell dimensions a = 83.6, b = 139.4, c = 227.5 Å. A molecular-replacement solution of the structure has been obtained using beef liver catalase (PDB code 4blc) as a search model.

The high-pressure cadmium borate Cd6B22O39·H2O

2015 ◽  
Vol 70 (3) ◽  
pp. 183-190 ◽  
Author(s):  
Gerhard Sohr ◽  
Nina Ciaghi ◽  
Klaus Wurst ◽  
Hubert Huppertz
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Structural Characteristics ◽  
X Ray Diffraction ◽  
X Ray ◽  
High Pressure High Temperature ◽  
Cell Dimensions ◽  
Temperature Experiment ◽  
Unit Cell Dimensions ◽  
Ir And Raman

AbstractSingle crystals of the hydrous cadmium borate Cd6B22O39·H2O were obtained through a high-pressure/high-temperature experiment at 4.7 GPa and 1000 °C using a Walker-type multianvil apparatus. CdO and partially hydrolyzed B2O3 were used as starting materials. A single crystal X-ray diffraction study has revealed that the structure of Cd6B22O39·H2O is similar to that of the type M6B22O39·H2O (M=Fe, Co). Layers of corner-sharing BO4 groups are interconnected by BO3 groups to form channels containing the metal cations, which are six- and eight-fold coordinated by oxygen atoms. The compound crystallizes in the space group Pnma (no. 62) [R1=0.0379, wR2=0.0552 (all data)] with the unit cell dimensions a=1837.79(5), b=777.92(2), c=819.08(3) pm, and V=1171.00(6) Å3. The IR and Raman spectra reflect the structural characteristics of Cd6B22O39·H2O.

X–Ray Powder Diffraction Data for Synthetic Varieties of Tetrahedrite

1991 ◽  
Vol 6 (1) ◽  
pp. 43-47 ◽  
Author(s):  
Neil E. Johnson
Keyword(s):  
Powder Diffraction ◽  
Experimental Unit ◽  
Regression Equations ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Validation Test ◽  
Cell Dimensions ◽  
Synthetic Varieties ◽  
Unit Cell Dimensions

AbstractA series of five synthetic tetrahedrite-group minerals has been prepared and examined using powder X-ray diffraction in order to update current powder data and provide a validation test of cell dimension prediction equations. The tetrahedrites (nominally (Cu10X2)Sb4S13 with X = Zn, Cd, Mn, Hg and Fe) have the following properties: zincian tetrahedrite, a = 10.3833 (1) Å, Dx = 4.974 (1) g/cm3, F30 = 264 (0.004, 31), M20 = 279; cadmian tetrahedrite, a = 10.5066 (1) Å, Dx = 5.073 (1) g/cm3, F30 = 208 (0.004, 37), M20 = 249; manganoan tetrahedrite, a = 10.4384 (1) Å, Dx = 4.822 (1) g/cm3, F30 = 274 (0.003, 33), M20 = 302; mercurian tetrahedrite, a = 10.5071 (1) Å, Dx = 5.570 (1) g/cm3, F30 = 150 (0.006, 35), M20 = 156; ferroan tetrahedrite, a = 10.3630 (1) Å, Dx = 5.002 (1) g/cm3, F30 = 253 (0.004, 33), M20 = 281. The experimental unit cell dimensions obtained in this study are in excellent agreement with calculated values produced using regression equations developed previously.

Powder X-Ray Diffraction Data for Ca2Bi2O5and C4Bi6O13

1992 ◽  
Vol 7 (2) ◽  
pp. 109-111 ◽  
Author(s):  
C.J. Rawn ◽  
R.S. Roth ◽  
H.F. McMurdie
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Neutron Powder Diffraction ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Powder Samples ◽  
Orthorhombic Cell ◽  
Unit Cell Dimensions

AbstractSingle crystals and powder samples of Ca2Bi5O5and Ca4Bi6O13have been synthesized and studied using single crystal X-ray diffraction as well as X-ray and neutron powder diffraction. Unit cell dimensions were calculated using a least squares analysis that refined to a δ2θof no more than 0.03°. A triclinic cell was found with space group , a = 10.1222(7), b = 10.1466(6), c = 10.4833(7) Å. α= 116.912(5), β= 107.135(6) and γ= 92.939(6)°, Z = 6 for the Ca2Bi2O5compound. An orthorhombic cell was found with space group C2mm, a = 17.3795(5), b = 5.9419(2) and c = 7.2306(2) Å, Z = 2 for the Ca4Bi6O13compound.

scholarly journals X-ray Crystallographic Study of Ranaconitine

2011 ◽  
Vol 6 (11) ◽  
pp. 1934578X1100601
Author(s):  
Yang Li ◽  
Jun-Hui Zhou ◽  
Gui-Jun Han ◽  
Min-Juan Wang ◽  
Wen-Ji Sun ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Diffraction Analysis ◽  
Critical Role ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Crystallographic Study ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The crystal structure of natural diterpenoid alkaloid ranaconitine isolated from Aconitum sinomontanum Nakai has been determined by single crystal X-ray diffraction analysis. The crystal presents a monoclinic system, space group C2 with Z = 4, unit cell dimensions a = 30.972(19) Å, b = 7.688(5) Å, and c = 19.632(12) Å. Moreover, the intermolecular O–H···O hydrogen bonds and weak π-π interactions play a critical role in expanding the dimensionality.

scholarly journals Crystallization, X-ray diffraction analysis and SIRAS phasing of human α-L-iduronidase

2012 ◽  
Vol 68 (11) ◽  
pp. 1363-1366 ◽  
Author(s):  
Nobuo Maita ◽  
Hisaaki Taniguchi ◽  
Hitoshi Sakuraba
Keyword(s):  
Anomalous Scattering ◽  
Type I ◽  
X Ray Diffraction ◽  
Data Set ◽  
Potassium Tartrate ◽  
Isomorphous Replacement ◽  
Phase Calculation ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Electron Density Map

Human lysosomal α-L-iduronidase, whose deficiency causes mucopolysaccharidosis type I, was crystallized using sodium/potassium tartrate and polyethylene glycol 3350 as a precipitant. Using synchrotron radiation, a native data set was collected from a single crystal at 100 K to 2.3 Å resolution. The crystal belonged to space groupR3 with unit-cell dimensions ofa=b= 259.22,c= 71.83 Å. To obtain the phase information, mercury-derivative crystals were prepared and a single-wavelength anomalous dispersion (SAD) data set was collected at the Hg peak wavelength. Phase calculation with the single isomorphous replacement with anomalous scattering (SIRAS) method successfully yielded an interpretable electron-density map.

scholarly journals An examination of the thermal expansion of urea using high-resolution variable-temperature X-ray powder diffraction

2005 ◽  
Vol 38 (6) ◽  
pp. 1038-1039 ◽  
Author(s):  
Robert Hammond ◽  
Klimentina Pencheva ◽  
Kevin J. Roberts ◽  
Patricia Mougin ◽  
Derek Wilkinson
Keyword(s):  
Thermal Expansion ◽  
High Resolution ◽  
Variable Temperature ◽  
X Ray Diffraction ◽  
Polymorphic Transformations ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
Cell Dimensions ◽  
Expansion Coefficients ◽  
Unit Cell Dimensions

Variable-temperature high-resolution capillary-mode powder X-ray diffraction is used to assess changes in unit-cell dimensions as a function of temperature over the range 188–328 K. No evidence was found for any polymorphic transformations over this temperature range and thermal expansion coefficients for urea were found to be αa= (5.27 ± 0.26) × 10−5 K−1and αc= (1.14 ± 0.057) × 10−5 K−1.

Powder X-ray diffraction data for Ba4ZnTi11O27 and Ba2ZnTi5O13

1994 ◽  
Vol 9 (1) ◽  
pp. 56-62 ◽  
Author(s):  
C. G. Lindsay ◽  
C. J. Rawn ◽  
R. S. Roth
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Powder Samples ◽  
Unit Cell Dimensions

Single crystals and powder samples of Ba4ZnTi11O27 and Ba2ZnTi5O13 have been synthesized and studied using single-crystal X-ray precession photographs and X-ray powder diffraction. Unit cell dimensions were calculated from a least-squares refinement with a final maximum Δ2θ of 0.05°. Both phases were found to have monoclinic cells, space group C2/m. The refined lattice parameters for the Ba4ZnTi11O27 compound are a= 19.8687(8) Å, b=11.4674(5) Å, c=9.9184(4) Å, β= 109.223(4)°, and Z=4. The refined lattice parameters for the Ba2ZnTi5O13 compound are a= 15.2822(7) Å, b=3.8977(1) Å, c=9.1398(3) Å, β=98.769(4)°, and Z=2.

scholarly journals The reaction of 3,5-diphenyl-1,2-dithiolium-4-olate with aniline: the crystal structure of 1-phenylimino-2-phenylamino-3-phenylindene

1987 ◽  
Vol 65 (12) ◽  
pp. 2830-2833 ◽  
Author(s):  
David M. McKinnon ◽  
Peter D. Clark ◽  
Robert O. Martin ◽  
Louis T. J. Delbaere ◽  
J. Wilson Quail
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

3,5-Diphenyl-1,2-dithiolium-4-olate (1) reacts with aniline to form 1-phenylimino-2-phenylamino-3-phenylindene (3a). Under suitable conditions, 6-phenylbenzo[b]indeno[1,2-e]-1,2-thiazine is also formed. These structures are confirmed by alternative syntheses. The molecular structure of 3a has been determined by single crystal X-ray diffraction. Compound 3a crystallizes in the monoclinic space group C2/c with unit cell dimensions a = 20.777(3) Å, b = 6.130(3) Å, c = 31.327(3) Å, 3 = 99.59(1)°, and Z = 8. The structure was solved by direct methods and refined by least squares to a final R = 0.055. The molecular structure of 3a shows the three phenyl containing substituents to have the planes of their ring systems tilted between 40° and 60° from the plane of the indene system due to steric repulsions.

Structures of 2 Vanadium(V) Complexes With Tridentate Ligands

1986 ◽  
Vol 39 (7) ◽  
pp. 1081 ◽  
Author(s):  
AA Diamantis ◽  
JM Frederiksen ◽  
MA Salam ◽  
MR Snow ◽  
ERT Tiekink
Keyword(s):  
Tridentate Ligand ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Tridentate Ligands ◽  
Tetragonal Pyramid ◽  
Coordination Environment ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Oxo Ligand

The crystal structures of two vanadium(v) complexes, VOL(OCH2CH3)(1) and (VOL)2O (2), where L is the dinegative , tridentate ligand 4- phenylbutane-2,4-dione benzoylhydrazonato (2-), were determined by X-ray diffraction methods. Crystals of (1) are monoclinic, space group P21/n, a 11.064(4), b 7.565(1), c 21.786(5) Ǻ and β 95.93(2)° and Z 4; those of (2) are also monoclinic, C2/ c, with unit cell dimensions a 18.287(3), b 14.991(2), c 11.643(2)Ǻ, β 92.85(2)° for Z 4. The structures were refined by full-matrix least-squares methods to final R 0.036 for 1801 reflections with I ≥ 2.5σ(I) for (1), and R 0.061 for 1272 reflections with I ≥ 2.5σ(I) for (2). The coordination environment of the vanadium atom in both structures is a tetragonal pyramid with the oxo ligand occupying the apical positon.

Sign in / Sign up

Export Citation Format

Share Document