scholarly journals Crystal structure of the Sr6Nb4ZrO18 slab perovskite-like compound

2015 ◽  
Vol 3 (2) ◽  
pp. 65-71
Author(s):  
Yuri Titov ◽  
Nadezhda Belyavina ◽  
Mykola Slobodyanik ◽  
Vitaly Polubinskii ◽  
Olesya Nakonechna

The Sr6Nb4ZrO18 niobatozirconate has been synthesized from the Sr5Nb4O15 four-layer perovskite and the SrZrO3 perovskite at T = 1670 K by ceramic technique. Crystal structure of the Sr6Nb4ZrO18 compound has been studied by the X-ray powder diffraction method. It was shown that crystal structure of the Sr6Nb4ZrO18 (a = 0.5687(1) nm, c = 4.146(1) nm, R-3m space group) belongs to the Ba6Nb4TiO18-type with five-layer perovskite-like structure. The crystal structure features of the Sr6Nb4BIVO18 compounds (BIV = Ti, Sn, Zr) has been analyzed. The correlation between composition and crystal structure features for all Sr6Nb4BIVO18 (BIV = Ti, Sn, Zr) compounds, which leads to destruction slab perovskite-like structure has been revealed.

2014 ◽  
Vol 70 (a1) ◽  
pp. C1560-C1560
Author(s):  
Fumiko Kimura ◽  
Wataru Oshima ◽  
Hiroko Matsumoto ◽  
Hidehiro Uekusa ◽  
Kazuaki Aburaya ◽  
...  

In pharmaceutical sciences, the crystal structure is of primary importance because it influences drug efficacy. Due to difficulties of growing a large single crystal suitable for the single crystal X-ray diffraction analysis, powder diffraction method is widely used. In powder method, two-dimensional diffraction information is projected onto one dimension, which impairs the accuracy of the resulting crystal structure. To overcome this problem, we recently proposed a novel method of fabricating a magnetically oriented microcrystal array (MOMA), a composite in which microcrystals are aligned three-dimensionally in a polymer matrix. The X-ray diffraction of the MOMA is equivalent to that of the corresponding large single crystal, enabling the determination of the crystal lattice parameters and crystal structure of the embedded microcrytals.[1-3] Because we make use of the diamagnetic anisotropy of crystal, those crystals that exhibit small magnetic anisotropy do not take sufficient three-dimensional alignment. However, even for these crystals that only align uniaxially, the determination of the crystal lattice parameters can be easily made compared with the determination by powder diffraction pattern. Once these parameters are determined, crystal structure can be determined by X-ray powder diffraction method. In this paper, we demonstrate possibility of the MOMA method to assist the structure analysis through X-ray powder and single crystal diffraction methods. We applied the MOMA method to various microcrystalline powders including L-alanine, 1,3,5-triphenyl benzene, and cellobiose. The obtained MOMAs exhibited well-resolved diffraction spots, and we succeeded in determination of the crystal lattice parameters and crystal structure analysis.


2008 ◽  
Vol 23 (3) ◽  
pp. 241-245
Author(s):  
L. Khemakhem ◽  
A. Kabadou ◽  
A. Ben Salah ◽  
N. Abdelmoula

Polycrystalline BaTi1−x(Zn1/3Nb2/3)xO3 (x=0.025 and 0.9) compounds were synthesized successfully and studied by XRD and dielectric measurements. The effects of the Ti/(Zn,Nb) ratio on the structure and dielectric properties of the compounds were investigated. XRD results indicated that the crystal structure of the x=0.09 compound is cubic perovskite with space group Pm3m and a=4.0095(4) Å. For the x=0.09 compound, a splitting of the (200) peak was observed near 40.2°, indicating that the crystal structure changed from cubic to tetragonal, with space group P4mm, a=4.026(4) Å, and c=4.0091(4) Å. Rietveld refinement of the crystal structures led to final confidence factors Rp=0.0353 and Rp=0.0349 for x=0.025 and 0.9, respectively. Dielectric measurements showed a relaxor behavior present in BaTi0.1(Zn1/3Nb2/3)0.9.


2018 ◽  
Vol 33 (1) ◽  
pp. 62-65
Author(s):  
Martin Etter

Commercially available trisodium hexachlororhodate (Na3RhCl6) was dehydrated and characterized by laboratory X-ray powder diffraction. The crystal structure is isostructural to the Na3CrCl6 structure type with space group P$\bar 31$c. Unit-cell parameters are a = 6.8116(1) Å, c = 11.9196(2) Å, V = 478.95(2) Å3, and Z = 2.


2001 ◽  
Vol 57 (5) ◽  
pp. 673-679 ◽  
Author(s):  
Consiglia Tedesco ◽  
Robert E. Dinnebier ◽  
Falk Olbrich ◽  
Sander van Smaalen

The crystal structure of pentamethylcyclopentadienylsodium, [NaC10H15] (NaCp*), has been determined from high-resolution X-ray powder diffraction. The compound crystallizes in space group Cmcm with lattice parameters a = 4.61030 (3), b = 16.4621 (3), c = 14.6751 (2) Å, V = 1113.77 (4) Å3 (Z = 4). NaCp* forms polymeric multidecker chains along the a axis. The Rietveld refinement (Rp = 0.050 and RF = 0.163) shows that the Cp* moieties occupy, with disorder, two different orientations rotated away from the eclipsed conformation by ±13.8°.


2007 ◽  
Vol 353-358 ◽  
pp. 3043-3046 ◽  
Author(s):  
Ping Li Qin ◽  
Liang Qin Nong ◽  
Ji Liang Zhang ◽  
Hai Qing Qin ◽  
Jiang Ping Liao ◽  
...  

The crystal structure of a new compound NdFeSb3 has been determined by X-ray powder diffraction using the Rietveld method. The compound crystallizes in the orthorhombic, space group Pbcm (No.57) with the CeNiSb3 structure type and lattice parameters a=1.26828(2)nm, b=0.61666(2)nm, c=1.81867(4) nm, z=12 and Dcalc=7.917g/cm3.


2007 ◽  
Vol 22 (3) ◽  
pp. 241-245 ◽  
Author(s):  
B. Włodarczyk-Gajda ◽  
A. Rafalska-Łasocha ◽  
W. Łasocha

A novel synthesis method of fibrillar trimolybdates with the use of Ag2Mo3O10∙2H2O as a precursor has been used successfully to synthesize methylammonium trimolybdate, (CH3NH3)2Mo3O10∙H2O. The crystal structure of this compound was determined by X-ray powder diffraction method and refined by the Rietveld method. The compound is orthorhombic, space group Pnma (62), with a=11.241(3), b=7.585(1), and c=15.516(4) Å. The redetermined crystal structure of the precursor and the structure of the title compound are compared and discussed.


2019 ◽  
Vol 34 (3) ◽  
pp. 267-278
Author(s):  
Austin M. Wheatley ◽  
James A. Kaduk ◽  
Amy M. Gindhart ◽  
Thomas N. Blanton

The crystal structures of cefdinir and cefdinir sesquihydrate have been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Cefdinir crystallizes in space group P21 (#4) with a = 5.35652(4), b = 19.85676(10), c = 7.57928(5) Å, β = 97.050(1) °, V = 800.061(6) Å3, and Z = 2. Cefdinir sesquihydrate crystallizes in space group C2 (#5) with a = 23.98775(20), b = 5.01646(3), c = 15.92016(12) Å, β = 109.4470(8) °, V = 1806.438(16) Å3, and Z = 4. The cefdinir molecules in the anhydrous crystal structure and sesquihydrate have very different conformations. The two conformations are similar in energy. The hydrogen bonding patterns are very different in the two structures, and the sesquihydrate is more stable than expected from the sum of the energies of cefdinir and cefdinir sesquihydrate, the result of additional hydrogen bonding. The powder patterns are included in the Powder Diffraction File™ as entries 00-066-1604 (cefdinir) and 00-066-1605 (cefdinir sesquihydrate).


2006 ◽  
Vol 21 (3) ◽  
pp. 225-228 ◽  
Author(s):  
R. Karray ◽  
A. Kabadou ◽  
A. Ben Salah ◽  
A. van der Lee

The crystal structure of cesium ammonium hexachlorotellurate [Cs0.86(NH4)0.14]2TeCl6, has been determined using X-ray powder diffraction techniques. At room temperature, the title compound crystallizes in the cubic space group Fm3m, with a lattice parameter a=10.470(17) Å. The Rietveld refinement of the structure led to final confidence factors Rp=0.0338 and Rwp=0.0487. The structure of [Cs0.86(NH4)0.14]2TeCl6 belongs to the large family of K2PtCl6-related structures. The H atoms of the ammonium group are orientated with its apex toward Te atoms as seen in the related compound (NH4)2SiF6. An IR spectroscopic study was performed to confirm the results of the diffraction method, notably concerning the presence of the ammonium group.


2009 ◽  
Vol 24 (3) ◽  
pp. 247-249
Author(s):  
Jialin Yan ◽  
Liuqing Liang ◽  
Xingwen Lu ◽  
Lingmin Zeng ◽  
Liangqin Nong

Compound HoCo0.67Ga1.33 was synthesized and studied by means of X-ray powder diffraction technique. HoCo0.67Ga1.33 was found to have the orthorhombic CeCu2 structure (space group Imma) with a=4.3479(2) Å, b=7.0351(3) Å, c=7.4876(3) Å, Z=4, and Dcalc=8.62 g/cm3. The crystal structure of HoCo0.67Ga1.33 was also refined by the Rietveld method. Ho atoms were found to occupy the 4e positions and mixed Co/Ga atoms to share the 8h positions of the space group Imma (No. 74).


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