Correction to: Characterization of hydrothermal alteration along geothermal wells using unsupervised machine-learning analysis of X-ray powder diffraction data

ABSTRACTPolycrystalline black coloured Ba2Cu3PrO7−x is prepared from a mixture of analytical grade BaO2, CuO, Cu metal, and Pr 2O3 (2 : 2 : 1 : 0.5), which are ground, pelletized, and heated in evacuated quartz ampoules at 1273 K for 4 days, and then slowly cooled.X-ray powder diffraction data show that Ba2Cu3PrO7−x is orthorhombic, a = 3.823(2), b = 3.877(2), c= 11.793(5) Å, space group Pmmm (no. 47), Z = 1. The structure of Ba2Cu3PrO7−x is refined from 37 reflections by using a least-squares method up to Rc = 0.044 and Rw = 0.041. Structural data and main interatomic distances are given.

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Characterization of monoclinic crystals in tablets by pattern-fitting procedure using X-ray powder diffraction data

International Journal of Pharmaceutics ◽

10.1016/s0378-5173(03)00206-0 ◽

2003 ◽

Vol 259 (1-2) ◽

pp. 27-37 ◽

Cited By ~ 3

Author(s):

S Yamamura

Keyword(s):

Powder Diffraction ◽

Diffraction Data ◽

Powder Diffraction Data ◽

X Ray ◽

Fitting Procedure

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Powder X-ray characterization of djenkolic acid

Powder Diffraction ◽

10.1154/1.1348002 ◽

2001 ◽

Vol 16 (1) ◽

pp. 46-47

Author(s):

Petr Melnikov ◽

Alexandre Cuin ◽

Pedro P. Corbi ◽

Maurício Cavicchioli ◽

Antonio C. Massabni

Keyword(s):

Amino Acid ◽

Powder Diffraction ◽

Diffraction Data ◽

Natural Amino Acid ◽

Powder Diffraction Data ◽

X Ray ◽

Cell Parameters ◽

Orthorhombic Cell ◽

Djenkolic Acid

X-ray powder diffraction data for the orthorhombic natural amino acid djenkolic acid, C7H14N2O4S2, is described in this paper. The orthorhombic cell parameters are: a=8.12 Å, b=12.16 Å, and c=5.38 Å

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A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates

Acta Crystallographica Section B Structural Science ◽

10.1107/s0108768196012335 ◽

1997 ◽

Vol 53 (2) ◽

pp. 203-220 ◽

Cited By ~ 16

Author(s):

R. L. Withers ◽

C. Lobo ◽

J. G. Thompson ◽

S. Schmid ◽

R. Stranger

Keyword(s):

Powder Diffraction ◽

Structural Characterization ◽

Diffraction Data ◽

Structure Type ◽

Powder Diffraction Data ◽

X Ray ◽

Modulation Wave ◽

Wave Approach ◽

The Ideal

The crystal structures of three new cristobalite-related sodium magnesiosilicates [Na2MgSiO4, M r = 162.37, orthorhombic, Pna21, a = 10.835 (5), b = 5.279 (12), c = 7.067 (8) Å, D x = 2.668 g cm−3, Z = 4, Cu Kα, λ = 1.5418 Å, μ = 75.96 cm−l, F(000) = 319.87; Na1.74Mg0.79Al0.15Si1.06O4, M r = 157.02, orthorhombic, Pbca, a = 10.487 (7), b = 14.351 (4), c = 5.243 (6) Å, D x = 2.643 g cm−3, Z = 8, Cu Kα, λ = 1.5418 Å, μ = 76.70 cm−l, F(000) = 619.04; Na1.8Mg0.9Si1.1O4, M r = 158.15, tetragonal, P41212, a = 5.330 (6), c = 7.086 (5) Å, D x = 2.609 g cm−3, Z = 2, Cu Kα, λ= 1.5418 Å, μ = 75.44 cm−l, F(000) = 155.94] are determined by Rietveld refinement from X-ray powder diffraction data. Plausible starting models were derived from a modulation wave approach based on the ideal C9 structure type and assuming regular SiO4 and MgO4 tetrahedra.

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Powder Diffraction Data Correction: Single-Crystal Standards and Fourier Asymmetric Component Stripping

Advances in X-ray Analysis ◽

10.1154/s0376030800009010 ◽

1991 ◽

Vol 35 (A) ◽

pp. 353-358 ◽

Cited By ~ 1

Author(s):

Frank E. Briden ◽

Richard B. Snoddy

Keyword(s):

Single Crystals ◽

Powder Diffraction ◽

Diffraction Data ◽

Lanthanum Hexaboride ◽

Degree Of Crystallinity ◽

Peak Width ◽

Powder Diffraction Data ◽

X Ray ◽

Asymmetric Component

The need for reliable standards for the characterization of x-ray powder diffraction (XRD) instruments has been well documented. As a result of the round robin study, of various candidate standard materials, described by Fawcett et al., the National Institute of Science and Technology has made the SRM-660, lanthanum hexaboride, XRD peak width standard available. It has been normal practice to use powder sample standards for XRD powder diffraction studies. Powder standards have been justified on the principle that standards should be as much as possible like the unknowns to be analyzed; however, standards must be quite different from the unknowns because their peak profiles must be as narrow as possible for deconvolution from sample peak profiles. It would seem most advantageous to use standards of the highest degree of crystallinity so that they would be useful over the maximum number of applications. Single crystals, with their extremely high crystallinity, offer that advantage.

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Synthesis and X-ray powder diffraction study of the elpasolite Cs2NaCeCl6

Powder Diffraction ◽

10.1017/s0885715600014895 ◽

1995 ◽

Vol 10 (4) ◽

pp. 241-242 ◽

Cited By ~ 6

Author(s):

R. Acevedo ◽

V. Poblete

Keyword(s):

Diffraction Study ◽

Powder Diffraction ◽

Structural Characterization ◽

Diffraction Data ◽

Structure Refinement ◽

Powder Diffraction Data ◽

Space Group ◽

X Ray

The synthesis at 850 °C and the structural characterization of the elpasolite structure compound Cs2NaCeCl6 is reported space group Fm3m, a = 10.943(2) Å, V = 1310.4 (Å)3, Z = 4, M = 641.64, Dx = 3.252, and Dexp = 3.21. Powder diffraction data from a Rietveld structure refinement, are reported.

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Structural characterization of form I of anhydrous rifampicin

CrystEngComm ◽

10.1039/c4ce01157k ◽

2014 ◽

Vol 16 (36) ◽

pp. 8555-8562 ◽

Cited By ~ 12

Author(s):

Amanda Laura Ibiapino ◽

Rafael Cardoso Seiceira ◽

Altivo Pitaluga ◽

Antonio Carlos Trindade ◽

Fabio Furlan Ferreira

Keyword(s):

Crystal Structure ◽

Powder Diffraction ◽

Structural Characterization ◽

Diffraction Data ◽

Crystal Morphology ◽

Powder Diffraction Data ◽

X Ray ◽

Good Agreement

Crystal structure determination of form I of anhydrous rifampicin by X-ray powder diffraction data. Crystal morphology prediction revealed a good agreement with the images of the crystals.

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PREPARATION AND CHARACTERIZATION OF UNUSUAL LEVITATION Tl-Ba-Ca-Cu-O SAMPLES

Modern Physics Letters B ◽

10.1142/s0217984989000418 ◽

1989 ◽

Vol 03 (03) ◽

pp. 249-255 ◽

Cited By ~ 2

Author(s):

Z.Z. SHENG ◽

Y.H. LIU ◽

X. FEI ◽

L. SHENG ◽

C. DONG ◽

...

Keyword(s):

Magnetic Properties ◽

Powder Diffraction ◽

Diffraction Data ◽

Preparation Procedure ◽

Powder Diffraction Data ◽

X Ray ◽

Electronic And Magnetic Properties

A preparation procedure for the Tl-Ba-Ca-Cu-O superconducting samples which can be levitated above or beneath a magnet is described. X-ray powder diffraction data for these samples are presented and discussed. Their electronic and magnetic properties are presented. The explanation for the unusual levitation is briefly discussed.

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C-6 Characterization of X-ray Powder Diffraction Data of BaxSr1−xSo4 (0≤x≤1) by Rietveld Refinement

Powder Diffraction ◽

10.1154/1.3455008 ◽

2010 ◽

Vol 25 (2) ◽

pp. 217-217

Author(s):

S. R. Zaidi ◽

H. Sitepu ◽

S. Shen ◽

N. Al-Yami

Keyword(s):

Rietveld Refinement ◽

Powder Diffraction ◽

Diffraction Data ◽

Powder Diffraction Data ◽

X Ray

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X-ray powder diffraction characterization of disilver trihydrogen paraperiodate

Powder Diffraction ◽

10.1154/1.2166231 ◽

2006 ◽

Vol 21 (1) ◽

pp. 52-55

Author(s):

Norberto Masciocchi ◽

Davide Gianni

Keyword(s):

Hydrogen Bonds ◽

Rietveld Refinement ◽

Powder Diffraction ◽

Diffraction Data ◽

Two Dimensional ◽

Powder Diffraction Data ◽

X Ray ◽

Cell Parameters ◽

Full Profile

X-ray powder diffraction data for the trigonal form of disilver trihydrogen paraperiodate, Ag2H3IO6, are reported. The cell parameters are a=5.941 89(3), c=12.7253(1) Å, V=389.089(6) Å3, and ρ=5.65 g cm−3 for Z=3. A full-profile Rietveld refinement confirms the monophasic nature of the sample and the presence of two-dimensional corrugated layers of the A2BO6 type linked by hydrogen bonds. Short unsupported Ag–Ag contacts (about 3.02 Å) of the argentophilic type are also shown.

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