Search results for "Diffraction"
showing 10 items of 1584 documents
Crystal structure determination of 1-pentanol from low-temperature powder diffraction data by Patterson search methods
2005
5 pages.-- PACS: 61.66.Hq; 61.50.Lt
Crystal Data for Metal Cimetidine Isotiocionates: M(CM)2(NCS)2 (M = Co(II), Ni(II), Cu(II))
1992
AbstractMetal cimetidine isothiocyanates, M(C10H16SN6)2(NCS)2, where M = Co(II), Ni(II) and Cu(II), have been investigated by means of X-ray powder diffraction. Unit cell dimensions were determined from powder diffractometer data. Refined cell parameters (monoclinic with a primitive cell), powder data, calculated densities and Z value are presented.
Crystal Data for Complexes of Co(II) and Ni(II) Perchlorates with Mepirizole
1992
AbstractMetal mepirizole perchlorates, M(C11H14N4O2)3 (C104)2 where M = Co(II) and Ni(II) have been investigated by means of X-ray powder diffraction. Unit cell dimensions were determined by indexing programs from diffractometer data. Refined cell parameters (monoclinic with a C-centered cell), calculated density and Z values are presented.
Powder diffraction analysis of gemstone inclusions
2011
Gemstones are pieces of materials that once cut and polished are used as jewels or adornments. Gemstones may be single crystal (such as diamonds), polycrystalline (such as lapis lazuli), or amorphous (such as amber). In any case, gems may have inclusions that may yield a variety of optic effects. It is also important to unravel the crystal structure of the inclusion(s) in order to determine the origin of the gem and to help to understand their formation mechanism. Here, we expand the use of powder diffraction to identify crystalline inclusions in bulk gemstones highlighting Mo Kα radiation to penetrate within compact gems. Initially, rock crystal quartz with rutile needles was investigated …
X-ray powder diffraction pattern for glucopyranosylsorbitol and glucopyranosylmannitol dihydrate
1997
X-ray powder data are given for glucopyranosylsorbitol, C12H24O11, and glucopyranosylmannitol dihydrate, C12H24O11 * 2H2O. Refined unit cell parameters for glucopyranosylsorbitol are: a=0.9124(4) nm, b=1.1336(5) nm, c=0.7232(3) nm, and β=91.23(4)° in space group P21 and those for glucopyranosylmannitol dihydrate are a=2.2579(15) nm, b=1.0016(5) nm, and c=0.7584(5) nm in space group P212121.
X-ray powder diffraction of mineral pigments and medicines from the 17th century pharmacy (Spezieria) Santa Maria della Scala in Rome, Italy
2018
The pharmacy (spezieria) Santa Maria della Scala was founded in Rome by the Discalced Carmelites Order in the 17th century, and during the 18th and 19th centuries it became the official supplier of medicines for Vatican Popes. The laboratory and the cases of this spezieria still preserve glass jars with organic and inorganic materials, which were presumably used for medicine and artistic material preparation, whose composition is unknown to date. A research project was initiated with the aim to study the stored materials and the role that the pharmacy played in regional, national and international contexts. In this manuscript, the compounds were analysed through X-ray powder diffraction wit…
Lattice Dynamics Study of HgGa2Se4 at High Pressures
2013
We report on Raman scattering measurements in mercury digallium selenide (HgGa2Se4) up to 25 GPa. We also performed, for the low-pressure defect-chalcopyrite structure, lattice-dynamics ab initio calculations at high pressures which agree with experiments. Measurements evidence that the semiconductor HgGa2Se4 exhibits a pressure-induced phase transition above 19 GPa to a previously undetected structure. This transition is followed by a transformation to a Raman-inactive phase above 23.4 GPa. On downstroke from 25 GPa until 2.5 GPa, a broad Raman spectrum was observed, which has been attributed to a fourth phase, and whose pressure dependence was followed during a second upstroke. Candidate …
Unveiling the role of the lone electron pair in sesquioxides at high pressure: compressibility of β-Sb2O3
2021
The structural, vibrational and electronic properties of the compressed beta-Sb2O3 polymorph, a.k.a. mineral valentinite, have been investigated in a joint experimental and theoretical study up to 23 GPa. The compressibility of the lattice parameters, unit-cell volume and polyhedral unit volume as well as the behaviour of its Raman- and IR-active modes under compression have been interpreted on the basis of ab initio theoretical simulations. Valentinite shows an unusual compressibility up to 15 GPa with four different pressure ranges, whose critical pressures are 2, 4, and 10 GPa. The pressure dependence of the main structural units, the lack of soft phonons, and the electronic density char…
Magnetic order in UCu4+xAl8−x
1992
Abstract A neutron diffraction study has been performed on UCu4+xAl8−x. The compound was chosen as an example of a uranium-based system, which goes from a magnetically ordered state to a pure heavy-fermion state. In the range x = 0.25–1, UCu4+xAl8−x orders in a simple collinear antiferromagnetic structure. With increasing concentration of Cu, the ordering temperature decreases and moment compensation develops due to the increasing hybridization of the 5f electrons.
Momentum-resolved photoelectron absorption in surface barrier scattering on Ir(111) and graphene/Ir(111)
2017
Physical review / B 96(15), 155108 (2017). doi:10.1103/PhysRevB.96.155108