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[PDF] Top 20 Calcium chlorite, Ca(ClO2)2, from X ray powder diffraction data

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Calcium chlorite, Ca(ClO2)2, from X ray powder diffraction data

Calcium chlorite, Ca(ClO2)2, from X ray powder diffraction data

... crystal data for calcium chlorite seemed appropriate because it was investigated previously (together with the strontium salt) by Riganti & Garrini (1960), who could not index the ... See full document

5

X ray powder diffraction study of LiCrP2O7

X ray powder diffraction study of LiCrP2O7

... Data collection: local program; cell refinement: FULLPROF (Rodrı´guez-Carvajal, 2001); data reduction: local program; method used to solve structure: coordinates taken from an isotypic compound ... See full document

6

Crystal structure of a 2:1 co crystal of meloxicam with acetyl­endi­carb­­oxy­lic acid

Crystal structure of a 2:1 co crystal of meloxicam with acetyl­endi­carb­­oxy­lic acid

... All data were processed using WinXPOW (Stoe & Cie, 1999). Powder diffraction patterns for the samples obtained by grinding and slurry grinding were similar, confirming the possibility to obtain ... See full document

10

Crystal structure of caesium di­hydrogen citrate from laboratory X ray powder diffraction data and DFT comparison

Crystal structure of caesium di­hydrogen citrate from laboratory X ray powder diffraction data and DFT comparison

... Details of the comprehensive literature search for citrate structures are presented in Rammohan & Kaduk (2017a). A reduced-cell search of the cell of cesium dihydrogen citrate in the Cambridge Structural Database ... See full document

9

Redetermination of the crystal structure of NaTcO4 at 100 and 296 K based on single crystal X ray data

Redetermination of the crystal structure of NaTcO4 at 100 and 296 K based on single crystal X ray data

... pertechnate, from single- crystal CCD data recorded both at 296 and 100 K confirms previous studies based on X-ray powder diffraction film data [Schwochau ...neutron ... See full document

9

X Ray Powder Diffraction: Why Not Use CuKβ Radiation?

X Ray Powder Diffraction: Why Not Use CuKβ Radiation?

... radiation from that element contributes much to the ...Kβ data sets for Rietfeld structure ...lium-metal-jet X -ray source [3], on the basis of some improvements, which are reported in this ... See full document

11

Crystal structure of Pigment Red 254 from X ray powder diffraction data

Crystal structure of Pigment Red 254 from X ray powder diffraction data

... Crystal data, data collection and structure refinement details are summarized in Table 2. Rietveld refinement was carried out with TOPAS (Coelho, 2007) using all diffraction data. The ... See full document

7

Crystal structure of strontium perchlorate anhydrate, Sr(ClO4)2, from laboratory powder X ray diffraction data

Crystal structure of strontium perchlorate anhydrate, Sr(ClO4)2, from laboratory powder X ray diffraction data

... tetra- hedra, with an average Sr—O distance of 2.582 A ˚ (Table 1). The latter is intermediate between those of Ca—O (2.476 A ˚ ; Lee et al., 2018) and Ba—O (2.989 A ˚ ; Lee et al., 2015) poly- hedra, and in good ... See full document

8

Sr–fresnoite determined from synchrotron X ray powder diffraction data

Sr–fresnoite determined from synchrotron X ray powder diffraction data

... strontium from nuclear waste (Park & Navrotsky, ...determined from room-temperature single crystal data and refined in the 5D superspace group P 4 bm (- α , α , 1/2; α , α , 1/2) ... See full document

5

Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X ray powder diffraction data

Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X ray powder diffraction data

... (Rodrı´guez-Carvajal, 2001). The number of molecules per unit cell was estimated to be Z = 4 for (I) and Z = 2 for (II). The initial crystal structures for (I) and (II) were determined by direct methods using the ... See full document

11

Crystal structure of dicesium hydrogen citrate from laboratory single crystal and powder X ray diffraction data and DFT comparison

Crystal structure of dicesium hydrogen citrate from laboratory single crystal and powder X ray diffraction data and DFT comparison

... Details of the comprehensive literature search for citrate structures are presented in Rammohan & Kaduk (2017a). A reduced cell search of the cell of dicesium hydrogen citrate in the Cambridge Structural Database ... See full document

12

Crystal structure of trirubidium citrate from laboratory X ray powder diffraction data and DFT comparison

Crystal structure of trirubidium citrate from laboratory X ray powder diffraction data and DFT comparison

... After the Rietveld refinement, a density functional geometry optimization (fixed experimental unit cell) was carried out using CRYSTAL14 (Dovesi et al., 2014). The basis sets for the C, H, and O atoms were those of ... See full document

9

Crystal structure of trirubidium citrate monohydrate from laboratory X ray powder diffraction data and DFT comparison

Crystal structure of trirubidium citrate monohydrate from laboratory X ray powder diffraction data and DFT comparison

... the Rietveld-refined and DFT-optimized structures is 0.127 A ˚ (Fig. 2). The good agreement between the two structures is strong evidence that the experimental structure is correct (van de Streek & Neumann, ... See full document

9

Crystal structure of calcium perchlorate anhydrate, Ca(ClO4)2, from laboratory powder X ray diffraction data

Crystal structure of calcium perchlorate anhydrate, Ca(ClO4)2, from laboratory powder X ray diffraction data

... and calcium, have received attention because of their incor- poration in multivalent-ion batteries that can replace Li-ion batteries (Wang et ...2001). Calcium has several merits, such as low cost and ... See full document

7

Crystal structure of penta­sodium hydrogen dicitrate from synchrotron X ray powder diffraction data and DFT comparison

Crystal structure of penta­sodium hydrogen dicitrate from synchrotron X ray powder diffraction data and DFT comparison

... The structure was solved in the sub-cell using DASH 3.3.2 (David et al., 2006), with a citrate anion and two Na + cations as fragments. Two of the 25 simulated annealing runs yielded figures of merit much lower than the ... See full document

13

Crystal structure of dirubidium hydrogen citrate from laboratory X ray powder diffraction data and DFT comparison

Crystal structure of dirubidium hydrogen citrate from laboratory X ray powder diffraction data and DFT comparison

... , has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The un-ionized carboxylic acid group forms helical ... See full document

9

Sr–fresnoite determined from synchrotron X ray powder diffraction data

Sr–fresnoite determined from synchrotron X ray powder diffraction data

... synchrotron X-ray powder diffraction data, show that the title compound crystallizes in the space group P4bm and adopts the structure of other fresnoite-type mineral samples with ... See full document

7

Powder study of hydro­chloro­thia­zide form II

Powder study of hydro­chloro­thia­zide form II

... A sample of (I), obtained using the method described in the Comment, was lightly ground in a mortar, loaded into a 0.7 mm borosilicate glass capillary and mounted on the diffractometer. Data were collected ... See full document

7

Growth and Characterization of New Non Linear Optical Bis Glycine Hydro Bromide (BGHB) Single Crystal

Growth and Characterization of New Non Linear Optical Bis Glycine Hydro Bromide (BGHB) Single Crystal

... Micro hardness measurements were carried out on BGHB crystals. Smooth surface of BGHB was subjected to the Vickers static indentation test at room temperature (303k) using a Leitz Wetzlar hardness tester fitted with a ... See full document

11

X-Ray Diffraction Analyses of Titanium Dioxide Nanoparticles

X-Ray Diffraction Analyses of Titanium Dioxide Nanoparticles

... JCPDS data (PDF No: 21-1272) and the peaks obtained in the pattern coincides well with the ...strong diffraction peak around 25.313 and 48.089 indicates TiO 2 is in anatase phase ... See full document

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