X-ray powder diffraction data and Rietveld refinement of CrFe3NiSn5

2004 ◽  
Vol 19 (4) ◽  
pp. 372-374
Author(s):  
Jirong Huang ◽  
Lingmin Zeng ◽  
Zhihui Sun
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Type ◽  
Powder Diffraction Data ◽  
Hexagonal Crystal ◽  
X Ray ◽  
Crystal System ◽  
Power Pattern

X-ray power diffraction data for CrFe3NiSn5 are reported. Indexing the XRD power pattern and Rietveld refinement shows that the compound crystallizes in the hexagonal crystal system, space group P6mm (No. 183) with lattice parameters a=5.3168(1) Å, c=4.4261(1) Å, z=0.6 and Dcalc=8.011 g cm−3. The crystal structure of CrFe3NiSn5 is of the CoSn structure type with Fe, Cr and Ni disordered in the Co position.

Crystal Structure of the New Compound TbCo0.67Ga1.33

2015 ◽  
Vol 1089 ◽  
pp. 102-106
Author(s):  
Liu Qing Liang ◽  
Wen Jun Shen ◽  
Ling Min Zeng ◽  
Cai Min Huang
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Ternary Compound ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Structure Type ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

A new ternary compound TbCo0.67Ga1.33 was discovered and studied by means of X-ray powder diffraction technique. The crystal structure of the new compound was refined by using Rietveld method from X-ray powder diffraction data. This compound crystallizes in the orthorhombic with the CeCu2 structure type( space group Imma, a = 0.43384(6) nm, b = 0.70193(1) nm, c = 0.75617(1) nm, Z = 4, and Dcalc = 8.512 g/cm3 ). The Rietveld refinement results were Rp = 0.0996, Rwp = 0.1277.

Synthesis and structural study from X-ray powder diffraction of Pb0.5Th2(PO4)3

1997 ◽  
Vol 12 (2) ◽  
pp. 76-80 ◽  
Author(s):  
A. El-Yacoubi ◽  
R. Brochu ◽  
A. Serghini ◽  
M. Louër ◽  
M. Alami Talbi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thermal Stability ◽  
Structural Study ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Type ◽  
Powder Diffraction Data ◽  
Monoclinic Symmetry ◽  
X Ray ◽  
Thermal Stability Of

A new mixed lead thorium phosphate, Pb0.5Th2(PO4)3, has been isolated in the system PbO–ThO2–P2O5. Its crystal structure (monoclinic symmetry, a=17.459(1) Å, b=6.8451(4) Å, c=8.1438(5) Å, β=101.247(5)°, space group C2/c) has been determined from conventional monochromatic X-ray powder diffraction data. The structure is related to the MITh2(PO4)3 structure type. Lead atoms are located in the channels parallel to the c axis, out of the twofold axis for 0.97 Å, and are statistically distributed on a quarter of crystallographic positions. The thermal stability of this material is greater than that of the monazite-type compound PbTh(PO4)2.

scholarly journals Synthesis and crystal structure of the quaternary semiconductor Cu2NiGeS4, a new stannite-type compound

2019 ◽  
Vol 65 (4 Jul-Aug) ◽  
pp. 355 ◽  
Author(s):  
G. E. Delgado ◽  
And V. Sagredo
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Quaternary Compound ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Cell Parameters

The crystal structure of the quaternary compound Cu2NiGeS4, belonging to the system I2-II-IV-VI4, was characterized by Rietveld refinement using X-ray powder diffraction data. This material crystallize with a stannite structure in the tetragonal space group I2m (Nº 121), Z = 2, unit cell parameters a = 5.3384(1) Å, c = 10.5732(3) Å, V = 301.32(3) Å3, acknowledged as a normal valence adamantane-structure.

Neutron Diffraction from Novel Materials

MRS Bulletin ◽  
1999 ◽  
Vol 24 (12) ◽  
pp. 24-28
Author(s):  
Paolo G. Radaelli ◽  
James D. Jorgensen
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Neutron Powder Diffraction ◽  
Inorganic Crystal Structure Database ◽  
Powder Diffraction Data ◽  
New Materials ◽  
X Ray

The discovery and development of new materials is the foundation of the science and technology “food chains.” Examples of new materials with novel properties that have stimulated new scientific questions and/or led to new technologies include liquid crystals, advanced batteries, structural ceramics, dielectrics, ferroelectrics, catalysts, high-temperature superconductors, har dmagnets, and magnetoresistive devices. Establishing the crystal structure of a newly discovered Compound is a mandatory first step, but the most important contribution of diffraction techniques is to provide an understanding of the relationships among chemical composition, crystal structure, and physical behavior. In this way, diffraction experiments provide critical Information for testing theories that explain novel behavior and guide the optimization of new materials to meet the demands of emerging technologies.The first samples of newly discovered materials are often polycrystalline. With state-of-the-art neutron powder diffraction data and Rietveld refinement techniques, for structures of modest complexity, the precision for atom positions rivals that obtained by single-crystal diffraction. Rietveld refinement is a method of obtaining accurate values for atom positions and other structural parameters from powder diffraction data by least-squares fitting of a calculated model to the full diffraction pattern. As evidence of thi s success, the Inorganic Crystal Structure Database contains 6044 entries from neutron powder diffraction, 7096 from laboratory x-ray powder diffraction, an d 228 from Synchrotron x-ray powder diffraction. Other reasons for the rapidly growing impact of neutron diffraction include the favorable neutron-scattering cross sections for light elements, the sensitivity to magnetic moments, and the ability to penetrate special sample environments for in situ studies. These strengths are widely accepted and have been exploited for many years. Previous reviews have focused on these topics.

scholarly journals Rietveld Structure Refinement of the Stilbite Crystals from Deccan Traps (India) Using X-ray Powder Diffraction Data

2019 ◽  
Vol 70 (7) ◽  
pp. 2379-2384
Author(s):  
Gheorghe Branoiu ◽  
Ibrahim Ramadan
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Deccan Traps ◽  
Western India ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Cell Parameters

The crystal structure of a spectacular sample of stilbite from Pune region located in the Deccan Traps (western India) has been refined using X-Ray powder diffraction data and the Rietveld method. The Rietveld refinement was carried out using the computer program Diffracplus TOPAS 4.1. The pseudo-Voigt (pV) profile function was used for the fit of the peaks. The Rietveld refinement of the analyzed sample in the space group C2/m (No.12): a=13.606 �, b=18.260 �, c=11.253 �, b=127.432�, Z=8, confirm the basic stilbite structure. The chemical composition of the stilbite crystals from Pune region (India) was determined by EDX analysis. The paper presents a new set of the unit cell parameters and fractional coordinates that define the stilbite crystal structure. The quality of the sample analyzed was pristine, the sample being collected from an association of apophyllite-stilbite crystals of centimetric dimensions.

Crystallographic study of PtCl2(C2H3O2)2(C6H13N)(NH3) by Rietveld refinement

2003 ◽  
Vol 18 (2) ◽  
pp. 140-143 ◽  
Author(s):  
Lingmin Zeng ◽  
Liangwei Chen ◽  
Shaoping Pu ◽  
Yikun Yang ◽  
Wenggui Gao ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Anticancer Drug ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Crystallographic Study

X-ray powder diffraction data for the anticancer drug PtCl2(C2H3O2)2(C6H13N)(NH3) are reported. The crystal structure of PtCl2(C2H3O2)2(C6H13N)(NH3) obtained from a Rietveld refinement are: space group P21/a, a=13.547(2) Å, b=8.260(1) Å, c=14.638(3) Å, β=110.429(2)°, V=1534.96 Å3, Z=4 and Dcalc.=2.068 Mg/m3.

X-Ray Powder Diffraction Data for the Al7Cu5Y Ternary Compound

2014 ◽  
Vol 950 ◽  
pp. 53-56
Author(s):  
Bin He ◽  
Ming Qin ◽  
Liu Qing Liang ◽  
Zhao Lu ◽  
De Gui Li ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ternary Compound ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Type ◽  
The Body ◽  
Lattice Parameters ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

Crystal structure and X-ray powder diffraction data for the Al7Cu5Y ternary compound are presented. The compound crystallizes in the body-centered tetragonal with the Al7Fe5Y structure type (space group I4/mmm), the lattice parameters a = 8.6960(9) Å, c = 5.1256(7) Å, V =387.62 Å3, Z =2, ڑx =5.102 g/cm3, F30 = 275.5(0.0033, 33) and RIR =1.23.

Rietveld refinement of the crystal structure of γ-Mo4O11

1999 ◽  
Vol 14 (4) ◽  
pp. 284-288 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ping Yang ◽  
Minoru Sasaki ◽  
Masasi Inoue ◽  
Hideoki Kadomatsu
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
Rietveld Analysis ◽  
Powder Diffraction Data ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray

The crystal structure of γ-Mo4O11 was obtained at room temperature (296 K) by Rietveld analysis with X-ray powder diffraction data. The crystal belongs to orthorhombic system, space group: Pna21, Z=4, Mr=559.753 (Atomic weights 1977), Dx=4.1228 g/cm3, F(000)=1024.0, μ=451.293 cm−1 (Int. Tab. Vol. C, Table 4.2.4.2, p. 193, λ=1.540 60 Å), a=24.4756(5) Å, b=6.7516(1) Å, c=5.4572(1) Å, and V=901.80(3) Å3. The structure was refined to Rwp=5.60%, Rp=4.27%, Rb=3.36%, and Rf=2.74% for 65 parameters with 3541 step intensities and 3055 peaks. Goodness of the fit S=3.35.

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