Powder X-ray data for melatonin C13H16N2O2

2000 ◽  
Vol 15 (2) ◽  
pp. 108-111 ◽  
Author(s):  
Ruggero Caminiti ◽  
Giancarlo Ortaggi ◽  
Raffaele Antonio Mazzei ◽  
Paolo Ballirano ◽  
Rita Rizzi
Keyword(s):  
Diffraction Data ◽  
Cell Parameter ◽  
Rietveld Analysis ◽  
Angular Range ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Powder Diffractometer ◽  
Monoclinic Cell

Powder X-ray diffraction data of melatonin C13H16N2O2 were collected on a conventional X-ray powder diffractometer: the monoclinic cell parameter are a=7.7416(8) Å, b=9.2897(9) Å, c=17.1444(16) Å, β=96.756(9)°, volume 1224.4(3) Å3 (space group P21/c). The strongest lines are (d (Å), I/I0) 8.161 (100), 5.411 Å (46), 3.412 Å (34), 4.668 Å (33), 4.645 Å (25), 3.554 Å (22), 3.668 Å (16), and 4.483 Å (14). Reported intensities are validated by Rietveld analysis. The data consist of measured positions and intensities and cover an angular range up to 60° 2θ: experimental, calculated, and difference patterns are also reported.

Improved powder X-ray data for the cement phase Ca12Al14O32F2 (C11A7f)

2000 ◽  
Vol 15 (1) ◽  
pp. 56-61 ◽  
Author(s):  
Umberto Costa ◽  
Paolo Ballirano
Keyword(s):  
Diffraction Data ◽  
Cell Parameter ◽  
Rietveld Analysis ◽  
Crystal Chemical ◽  
Angular Range ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Powder Diffractometer

New powder X-ray diffraction data of Ca12Al14O32F2 (C11A7f), a cementitious compound, were collected on a conventional X-ray powder diffractometer; the cubic cell parameter is a=11.96269(6) Å, volume 1711.93(2) Å3 (space group I-43d (No. 220)). The strongest lines are 4.887(100), 2.676(95), 2.992(46), 2.443(46), 2.185(37), 3.198(32), 1.599(26), and 1.941(25). Reported intensities are validated by Rietveld analysis. The new data consist of measured intensities and cover a wider 2θ angular range with respect to the calculated PDF 25-394 and the indexed PDF 36-678: experimental, calculated, and difference patterns are reported together with crystal-chemical considerations.

Powder X-ray data for adenosine C10H13N5O4

2000 ◽  
Vol 15 (2) ◽  
pp. 112-115 ◽  
Author(s):  
Ruggero Caminiti ◽  
Giancarlo Ortaggi ◽  
Raffaele Antonio Mazzei ◽  
Paolo Ballirano ◽  
Rita Rizzi
Keyword(s):  
Diffraction Data ◽  
Rietveld Analysis ◽  
Monoclinic Space Group ◽  
Angular Range ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Better Than

New powder X-ray diffraction data of adenosine C10H13N5O4 were reported: cell parameters are a=4.8386(4) Å, b=10.2919(4) Å, c=11.8555(4) Å, β=99.298(5)°, volume 582.63(4)Å for the monoclinic space group P21. The strongest lines are: 7.723 (100), 5.085 (50), 5.851 (45), 4.710 (11), 3.881 (10), 3.899 (9), 3.292 (9), and 3.261 (9). Reported intensities are validated by Rietveld analysis. The data consist of measured positions and intensities and cover an angular range up to 75° 2θ and are significantly better than PDF 35-1977. Experimental, calculated, and difference patterns are also reported.

Evolution of crystallographic phases in the system (Pb1−xCax)TiO3: A Rietveld study

2003 ◽  
Vol 18 (2) ◽  
pp. 407-414 ◽  
Author(s):  
Amreesh Chandra ◽  
Dhananjai Pandey
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Rietveld Analysis ◽  
Oxygen Octahedra ◽  
X Ray Diffraction ◽  
Ceramic Powders ◽  
Space Group ◽  
X Ray

X-ray powder diffraction studies on (Pb1−xCax)TiO3 ceramic powders revealed the presence of superlattice reflections due to antiphase and inphase tilts of oxygen octahedra for x ≥ 0.421. Rietveld analysis of the powder x-ray diffraction data confirmed that the structure of (Pb1-xCax)TiO3 is orthorhombic with Pbnm space group and a−a−c+ tilt system for x ≥ 0.421. For compositions with 0 < x ≤ 0.416, the structure was tetragonal, and the tetragonality decreased with increasing Ca2+ content.

Improved powder X-ray data for Cancrinites III: Davyne

1997 ◽  
Vol 12 (2) ◽  
pp. 99-102 ◽  
Author(s):  
Paolo Ballirano ◽  
Adriana Maras ◽  
Peter R. Buseck ◽  
Ann M. Yates
Keyword(s):  
Diffraction Data ◽  
Crystal Chemical ◽  
Angular Range ◽  
X Ray Diffraction ◽  
Hexagonal Cell ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

New powder X-ray diffraction data of davyne, a member of the cancrinite group of minerals, were collected using a rotating anode diffractometer: the hexagonal cell parameters are a=12.6711(3) Å, c=5.3278(2) Å, volume 740.82(4) Å3 (space group P63). The strongest lines are: 3.658(100), 4.790(73), 3.272(70), 2.112(48), 2.438(22), 2.663(19), 1.781(19), and 4.147(17). The new data provide quantitative intensities improved precision in d-spacings and cover an increased 2θ angular range with respect to PDF 20-379. Measured intensities and a simulated pattern are reported together with crystal-chemical considerations.

X-ray diffraction data of C16H14O4Ru2M (M=Ge,Si)

2002 ◽  
Vol 17 (1) ◽  
pp. 44-47
Author(s):  
Yu PuLan ◽  
Ding Shuang ◽  
Qiao YuanYuan ◽  
Yao XinKan ◽  
Liu Chong ◽  
...  
Keyword(s):  
Single Crystal ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Monoclinic Cell ◽  
Good Agreement

Two compounds have been studied by means of powder diffraction and their unit cell parameters are reported. The monoclinic cell parameters for dimethylgermanyl-bridged bis cyclopentadienyl tetracarbonyl diruthenium are a=11.03(2) Å, b=13.65(2) Å, c=11.609(2) Å, β=105.81(1)°, Z=4, space group P21/n (No. 14), Dx=2.135 mg/m3. The monoclinic cell parameters for λ-dimethylsilyl-dicyclopentadienyl-π, π′-tetracarbonyl diruthenium, are a=11.113(3) Å, b=13.60(1) Å, c=11.674(7) Å, and β=106.00(3)°, Z=4, space group P21/n (No. 14), and Dx=1.946 mg/m3. The cells found for the two compounds are in good agreement with those obtained from single crystal X-ray diffractometry.

Influence of iron content on cell parameters of rhombohedral La0.6Sr0.4Co1−yFeyO3

1996 ◽  
Vol 11 (3) ◽  
pp. 240-245 ◽  
Author(s):  
Johan E. ten Elshof ◽  
Jaap Boeijsma
Keyword(s):  
Thermal Decomposition ◽  
Diffraction Data ◽  
Iron Content ◽  
Cell Parameter ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Unit Cells ◽  
Complex Solutions

Powder X-ray diffraction data are reported for La0.6Sr0.4Co1−yFeyO3 (y=0.1, 0.25, 0.4, 0.6, 0.8, 1.0). The powders were prepared by thermal decomposition of metal-containing complex solutions. All compositions have rhombohedral unit cells. In hexagonal setting, the cell parameters are a=5.4388 Å, c=13.2355 Å for y=0.1; a=5.4427 Å, c=13.2542 Å for y=0.25; a=5.4530 Å, c=13.2838 Å for y=0.4; a=5.4769 Å, c=13.3175 Å for y=0.6; a=5.5057 Å, c=13.3918 Å for y=0.8; and a=5.5278 Å, c=13.4368 Å for y=1.0. The space group is probably R3c (167) for all compositions. The observed trends in the change of the pseudocubic cell parameter ac with increasing iron content can be explained in terms of substitution of Co4+ by Fe4+ when y<0.4, and substitution of Co3+ by Fe3+ when y≳0.4.

scholarly journals Preparation and Crystal Structures of SomeAIVB2IIO4Compounds: Powder X-Ray Diffraction and Rietveld Analysis

2014 ◽  
Vol 2014 ◽  
pp. 1-6 ◽  
Author(s):  
K. Jeyadheepan ◽  
C. Sanjeeviraja
Keyword(s):  
Tin Oxide ◽  
Cell Parameter ◽  
Rietveld Analysis ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Cell Search ◽  
Binary Oxides ◽  
Zinc Tin Oxide

TheAIVB2IIO4compounds such as cadmium tin oxide (Cd2SnO4or CTO) and zinc tin oxide (Zn2SnO4or ZTO) are synthesized by solid state reaction of the subsequent binary oxides. The synthesized powders were analyzed through the powder X-ray diffraction (PXRD). Cell search done on the PXRD patterns shows that the Cd2SnO4crystallizes in orthorhombic structure with space groupPbamand the cell parameters asa=5.568(2) Å,b=9.894(3) Å, andc=3.193(1) Å and the Zn2SnO4crystallizes as cubic with the space groupFd3 -mand with the cell parametera=8.660(2) Å. Rietveld refinement was done on the PXRD patterns to get the crystal structure of the Cd2SnO4and Zn2SnO4and to define the site deficiency of atoms which causes the electrical properties of the materials.

Single-crystal investigation of Ce5AgxGe4−x (x = 0.1−1.08) with Sm5Ge4 type

2020 ◽  
Vol 75 (8) ◽  
pp. 765-768
Author(s):  
Bohdana Belan ◽  
Dorota Kowalska ◽  
Mariya Dzevenko ◽  
Mykola Manyako ◽  
Roman Gladyshevskii
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Binary Compound ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

AbstractThe crystal structure of the phase Ce5AgxGe4−x (x = 0.1−1.08) has been determined using single-crystal X-ray diffraction data for Ce5Ag0.1Ge3.9. This phase is isotypic with Sm5Ge4: space group Pnma (No. 62), Pearson code oP36, Z = 4, a = 7.9632(2), b = 15.2693(5), c = 8.0803(2) Å; R1 = 0.0261, wR2 = 0.0460, 1428 F2 values and 48 variables. The two crystallographic positions 8d and 4c show Ge/Ag mixing, leading to a slight increase in the lattice parameters as compared to those of the pure binary compound Ce5Ge4.

X-ray powder diffraction data for Ba3MnSi2O8—A new phase in the system BaO–MnO–SiO2

1996 ◽  
Vol 11 (1) ◽  
pp. 26-27 ◽  
Author(s):  
Irena Georgieva ◽  
Ivan Ivanov ◽  
Ognyan Petrov
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Data Interpretation ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Phase

A new compound—Ba3MnSi2O8 in the system BaO–MnO–SiO2 was synthesized and studied by powder X-ray diffraction. The compound is hexagonal, space group—P6/mmm, a=5.67077 Å, c=7.30529 Å, Z=1, Dx=5.353. The obtained powder X-ray diffractometry (XRD) data were interpreted by the Powder Data Interpretation Package.

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