The crystal structure of visible light absorbing piezoelectric semiconductor SrNb2V2O11 revisited: high-resolution X-ray diffraction, vibrational spectroscopy and computational study

2019 ◽  
Vol 7 (18) ◽  
pp. 5497-5505
Author(s):  
Ievgen V. Odynets ◽  
Sergiy Khainakov ◽  
Santiago Garcia-Granda ◽  
Roman Gumeniuk ◽  
Matthias Zschornak ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Visible Light ◽  
Crystal Lattice ◽  
Vibrational Spectroscopy ◽  
Computational Study ◽  
X Ray Diffraction ◽  
Piezoelectric Semiconductor ◽  
X Ray

The crystal lattice of piezoelectric semiconductor Sr2Nb2V2O11 adopts Cc ordering due to Γ2− mode distortion.

scholarly journals Magnetically Oriented Powder Crystal to Indexing and Structure Determination

2014 ◽  
Vol 70 (a1) ◽  
pp. C1560-C1560
Author(s):  
Fumiko Kimura ◽  
Wataru Oshima ◽  
Hiroko Matsumoto ◽  
Hidehiro Uekusa ◽  
Kazuaki Aburaya ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Lattice ◽  
Powder Diffraction ◽  
Diffraction Method ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystal Lattice Parameters

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.

(Tnmethylphosphine)(triphenylsilyl)gold(I) and Related Compounds

1999 ◽  
Vol 54 (1) ◽  
pp. 26-29 ◽  
Author(s):  
Miguel Monge Oroz ◽  
Annette Schier ◽  
Hubert Schmidbaur
Keyword(s):  
Crystal Structure ◽  
Crystal Lattice ◽  
Coordination Compounds ◽  
Ionic Species ◽  
X Ray Diffraction ◽  
X Ray ◽  
Halide Complexes ◽  
Related Compounds ◽  
Heteroleptic Complex

Mononuclear coordination compounds of the type (R3P)AuSiR′3 with R = R’ = Ph and R = Me, R′ = Ph have been obtained from reactions of the corresponding halide complexes (R3P)AuCl with the silyllithium reagent LiSiPh3. The fully phenylated species undergoes ligand redistribution in solution to give homoleptic ionic species. (Me3P)AuSiPh3 is less susceptible to this process and crystallizes from solutions as the heteroleptic complex. The crystal structure of this compound has been determined by X-ray diffraction. In the crystal lattice the molecules are not associated.

Synthesis and Characterization of a New Copper(II) Complex with Nadolol, an Aminoalcoholic Beta-blocker. Crystal Structure of Na[Cu(nadololate)(CO3)] · H2O

2008 ◽  
Vol 63 (5) ◽  
pp. 543-547 ◽  
Author(s):  
Inés Viera ◽  
Laura Domínguez ◽  
Javier Ellena ◽  
María H. Torre
Keyword(s):  
Crystal Structure ◽  
Vibrational Spectroscopy ◽  
Copper Complex ◽  
Beta Blocker ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Spectroscopy Analysis ◽  
X Ray

This work reports the synthesis and characterization of a new copper complex with nadolol, a betablocker aminoalcohol. The stoichiometry found was Na[Cu(nadololate)(CO3)] · H2O. Electronic and vibrational spectroscopy analysis was performed, and the crystal structure of Na[Cu(nadololate)-(CO3)] · H2O was determined by X-ray diffraction.

Revisit of α-Chitin Crystal Structure Using High Resolution X-ray Diffraction Data

2009 ◽  
Vol 10 (5) ◽  
pp. 1100-1105 ◽  
Author(s):  
Pawel Sikorski ◽  
Ritsuko Hori ◽  
Masahisa Wada
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray

Structure of fluorite-like compound based on Nd5Mo3O16with lead partly substituting for neodymium

2015 ◽  
Vol 71 (2) ◽  
pp. 186-193 ◽  
Author(s):  
Alexander M. Antipin ◽  
Natalia I. Sorokina ◽  
Olga A. Alekseeva ◽  
Alexandra N. Kuskova ◽  
Elena P. Kharitonova ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Single Crystal ◽  
Experimental Verification ◽  
X Ray Diffraction ◽  
Transmission Microscopy ◽  
X Ray ◽  
Oxygen Ion ◽  
First Time ◽  
Edx Microanalysis

A single crystal of Nd5Mo3O16with lead partly substituting for neodymium, which has a fluorite-like structure, was studied by precision X-ray diffraction, high-resolution transmission microscopy and EDX microanalysis. The crystal structure is determined in the space group Pn\bar 3n. It was found that the Pb atoms substitute in part for Nd atoms in the structure and are located in the vicinity of Nd2 positions. Partial substitutions of Mo cations for Nd positions and of Nd for Mo positions in crystals of theLn5Mo3O16oxide family are corroborated by X-ray diffraction for the first time. The first experimental verification of the location of an additional oxygen ion in the voids abutting MoO4tetrahedra was obtained.

Crystal-structure analysis of four mineral samples of anhydrite, CaSO4, using synchrotron high-resolution powder X-ray diffraction data

2011 ◽  
Vol 26 (4) ◽  
pp. 326-330 ◽  
Author(s):  
Sytle M. Antao
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Unit Cell Volume ◽  
Crystal Structure Analysis ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Rietveld Refinements ◽  
X Ray ◽  
Cell Parameters

The crystal structures of four samples of anhydrite, CaSO4, were obtained by Rietveld refinements using synchrotron high-resolution powder X-ray diffraction (HRPXRD) data and space group Amma. As an example, for one sample of anhydrite from Hants County, Nova Scotia, the unit-cell parameters are a = 7.00032(2), b = 6.99234(1), c = 6.24097(1) Å, and V = 305.487(1) Å3 with a > b. The eight-coordinated Ca atom has an average <Ca-O> distance of 2.4667(4) Å. The tetrahedral SO4 group has two independent S-O distances of 1.484(1) to O1 and 1.478(1) Å to O2 and an average <S-O> distance of 1.4810(5) Å. The three independent O-S-O angles [108.99(8) × 1, 110.38(3) × 4, 106.34(9)° × 1; average <O-S-O> [6] = 109.47(2)°] and S-O distances indicate that the geometry of the SO4 group is quite distorted in anhydrite. The four anhydrite samples have structural trends where the a, b, and c unit-cell parameters increase linearly with increasing unit-cell volume, V, and their average <Ca-O> and <S-O> distances are nearly constant. The grand mean <Ca-O> = 2.4660(2) Å, and grand mean <S-O> = 1.4848(3) Å, the latter is longer than 1.480(1) Å in celestite, SrSO4, as expected.

Oxygen Stoichiometry and Superconductivity in Ho1Ba2Cu3O7−x

1987 ◽  
Vol 99 ◽  
Author(s):  
B. C. Sales ◽  
Y. C. Kim ◽  
J. R. Thompson ◽  
D. K. Christen ◽  
L. A. Boatner ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Transition Temperature ◽  
High Resolution ◽  
Oxygen Vacancies ◽  
Oxygen Stoichiometry ◽  
Superconducting Transition ◽  
X Ray Diffraction ◽  
General Shape ◽  
X Ray ◽  
Lattice Constants

ABSTRACTThe effects of varying oxygen content on the superconducting transition temperature Tc, resistivity, and crystal structure of HoBa2Cu3O7−x (0 < x < 1) have been investigated. The variation of Tc wltn 8 is very similar to that previously reported by several authors for YBa2Cu3O7−x [1,2]. In particular a plateau in the Tc vs x curve is observed for values of x between 0.3 and 0.4 witfi the value of Tc,(10 % onset measured magnetically) remaining relatively constant at about 55 K. The width of the superconducting transition, as measured both resistively and magnetically, is substantially narrower for x= 0.35 + 0.05 than for slightly larger or smaller values of x. High resolution powder x-ray diffraction analysis was used to measure the lattice constants of both the orthorhombic and tetragonal phases as x was varied. With increasing x the temperature coefficient of the resistivity changed from positive (metallic) for x ≤0.2 to negative (semiconducting) for x ≥, 0.3. Since the general shape of the Tc vs x curve was unaffected by the complete substitution of magnetic Ho for Y, these results suggest an ordering of the oxygen vacancies in the a-b plane and the existence of an ordered compound with a Tc of 55 K.

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