X-Ray Powder Diffraction Analysis of Barium Titanyl Oxalate Tetrahydrate

1990 ◽  
Vol 5 (3) ◽  
pp. 162-164 ◽  
Author(s):  
D. Louër ◽  
A. Boultif ◽  
F.J. Gotor ◽  
J.M. Criado
Keyword(s):  
Powder Diffraction ◽  
X Ray ◽  
Variation Of Parameters ◽  
Barium Titanyl Oxalate ◽  
Cell Dimensions ◽  
Instrumental Resolution ◽  
Radiation Unit ◽  
Unit Cell Dimensions ◽  
Structural Imperfections ◽  
Titanyl Oxalate

AbstractBarium titanyl oxalate tetrahydrate, Ba(TiO)(C2O4)2.4H2O, has been investigated by means of X-ray powder diffraction. Precise powder diffraction data were obtained by a conventional diffractometer with strictly monochromatic radiation. Unit cell dimensions were determined by an indexing program based on the variation of parameters by successive dichotomies. A monoclinic cell was found, a=14.044(2)Å, b=13.812(2)Å, c=13.382(2)Å, β=91.48(1); V=2594.9Å3, which is characterized by the figures of merit M20=46.5 and F30=107(0.0056, 50). The complete powder pattern was reviewed by means of the program NBS*AIDS83 and the 81 first lines were indexed. Structural imperfections were not detected from the diffraction line widths, which are comparable to the instrumental resolution.

X-ray powder diffraction analysis of K3Nb3WO9(AsO4)2

2006 ◽  
Vol 21 (3) ◽  
pp. 236-237
Author(s):  
S. Belkhiri ◽  
D. Mezaoui ◽  
H. Rebbah ◽  
S. Ouhenia ◽  
M. A. Belkhir
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Figures Of Merit ◽  
Variation Of Parameters ◽  
Cell Dimensions ◽  
Orthorhombic Cell ◽  
Radiation Unit ◽  
Unit Cell Dimensions

K3Nb3WO9(AsO4)2 has been investigated by means of X-ray powder diffraction. Powder diffraction data were obtained by conventional diffractometer with Kα radiation. Unit-cell dimensions were determined by an indexing program based on variation of parameters by successive dichotomies. An orthorhombic cell (space group Pnma) was found with a=15.001 (1) Å, b=14.814(1) Å, c=7.2374 (8) Å, and V=1608.4 (4) A3. The figures of merit were calculated to be M(20)=35.9 and F(20)=70.8 (0.0055,51).

Powder diffraction data for two mixed nitrates CeMI2(NO3)6(MI=Rb,Cs)

1993 ◽  
Vol 8 (1) ◽  
pp. 57-59
Author(s):  
N. Guillou ◽  
J. P. Auffrédic ◽  
D. Louër
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Figure Of Merit ◽  
Powder Diffraction Data ◽  
Rubidium Nitrate ◽  
X Ray ◽  
Precise Data ◽  
Variation Of Parameters ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Ceric caesium nitrate CeCs2(NO3)6 and ceric rubidium nitrate CeRb2(NO3)6 have been investigated by means of X-ray powder diffraction. Precise data collected with strictly monochromatic radiation (CuKα1) are reported. Monoclinic unit cell dimensions were found by the indexing program DICVOL91 based on the variation of parameters by successive dichotomy. The final refined parameters are: a = 13.5373(7) Å, b = 7.0787(5) Å, c = 8.1672(5) Å, β = 90.813(5)° for the caesium compound and a = 13.0567(5) Å, b = 6.8684(2) Å, c = 8.1786(3) Å, β = 91.436(4)° for the rubidium compound, and the indexings are characterized by the figure of merit F30 equivalent to 245 (0.0033,37) and 194 (0.0040,39), respectively.

Indexing of the Powder Diffraction Pattern of Yttrium Oxalate Dihydrate

1990 ◽  
Vol 5 (2) ◽  
pp. 104-105 ◽  
Author(s):  
D. Louër ◽  
F. Deneuve ◽  
F. Ecochard
Keyword(s):  
Powder Diffraction ◽  
Strain Effect ◽  
Line Broadening ◽  
X Ray ◽  
Figures Of Merit ◽  
Variation Of Parameters ◽  
Oxalate Dihydrate ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractYttrium oxalate dihydrate, Y2(C2O4)3.2H2O, has been investigated by means of X-ray powder diffraction. Unit cell dimensions were determined by an indexing program based on the variation of parameters by successive dichotomies. The diffractometer data were collected with strictly monochromatic radiation. A monoclinic cell was found: a=9.3811(8)Å, b=11.6385(15)Å, c=5.9726(7)Å, β=96.079(8)°, which is characterized by the figures of merit M20=87 and F30=112 (0.0065,41). A preliminary analysis of the anisotropic line broadening has revealed some microstructural properties. It is shown that line broadening is mainly due to a micro-strain effect.

X-Ray and Optical Data for a Rare Earth–Poor Eudialyte from the North–Central Alaska Range

1990 ◽  
Vol 5 (2) ◽  
pp. 89-92 ◽  
Author(s):  
Neil E. Johnson ◽  
Mickey E. Gunter ◽  
Diana N. Solie ◽  
Charles R. Knowles
Keyword(s):  
Rare Earth ◽  
Powder Diffraction ◽  
Weight Percent ◽  
Optical Data ◽  
Alaska Range ◽  
North Central ◽  
X Ray ◽  
The North ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

AbstractPowder X-ray and optical data have been recorded for a sample of exceptionally rare earth-poor eudialyte (Na12(Ca, REE)6(Fe2+,Mn,Mg)3Zr3(Zr,Nb)x[Si9O27−y(OH)y]2[Si3O9]2(C1,F)z, with x = 0. 1–0.9, y = 1–3 and z = 0.7–1.4) from a pegmatitic vein associated with the peralkaline Windy Fork granite in the north–central Alaska range. The eudialyte is uniaxial positive with ω= 1.6062(2), ε= 1.6138 (3) and microprobe analyses indicate that the sum of REE + Yis less than 0.1 weight percent. Refined unit cell dimensions are: a = 14.2572(4), c = 30.1338(27), Dx= 2.67, F30= 128 (0.006, 42), M20= 76. An indexed powder diffraction pattern is given.

X–Ray Powder Diffraction Data for Synthetic Varieties of Tetrahedrite

1991 ◽  
Vol 6 (1) ◽  
pp. 43-47 ◽  
Author(s):  
Neil E. Johnson
Keyword(s):  
Powder Diffraction ◽  
Experimental Unit ◽  
Regression Equations ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Validation Test ◽  
Cell Dimensions ◽  
Synthetic Varieties ◽  
Unit Cell Dimensions

AbstractA series of five synthetic tetrahedrite-group minerals has been prepared and examined using powder X-ray diffraction in order to update current powder data and provide a validation test of cell dimension prediction equations. The tetrahedrites (nominally (Cu10X2)Sb4S13 with X = Zn, Cd, Mn, Hg and Fe) have the following properties: zincian tetrahedrite, a = 10.3833 (1) Å, Dx = 4.974 (1) g/cm3, F30 = 264 (0.004, 31), M20 = 279; cadmian tetrahedrite, a = 10.5066 (1) Å, Dx = 5.073 (1) g/cm3, F30 = 208 (0.004, 37), M20 = 249; manganoan tetrahedrite, a = 10.4384 (1) Å, Dx = 4.822 (1) g/cm3, F30 = 274 (0.003, 33), M20 = 302; mercurian tetrahedrite, a = 10.5071 (1) Å, Dx = 5.570 (1) g/cm3, F30 = 150 (0.006, 35), M20 = 156; ferroan tetrahedrite, a = 10.3630 (1) Å, Dx = 5.002 (1) g/cm3, F30 = 253 (0.004, 33), M20 = 281. The experimental unit cell dimensions obtained in this study are in excellent agreement with calculated values produced using regression equations developed previously.

Crystal data and X-ray powder diffraction data of 2,4-diiodo-4-nitrophenol (disophenol), C6H3I2NO3. More precise X-ray powder diffraction data of p-nitrophenol, C6H5NO3

1996 ◽  
Vol 11 (4) ◽  
pp. 301-304
Author(s):  
Héctor Novoa de Armas ◽  
Rolando González Hernández ◽  
José Antonio Henao Martínez ◽  
Ramón Poméz Hernández
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

p-nitrophenol, C6H5NO3, and disophenol, C6H3I2NO3, have been investigated by means of X-ray powder diffraction. The unit cell dimensions were determined from diffractometer methods, using monochromatic CuKα1 radiation, and evaluated by indexing programs. The monoclinic cell found for p-nitrophenol was a=6.159(2) Å, b=8.890(2) Å, c=11.770(2) Å, β=103.04(2)°, Z=4, space group P21 or P2l/m, Dx=1.469 Mg/m3. The monoclinic cell found for disophenol has the dimensions a=8.886(1) Å, b=14.088(2) Å, c=8.521(1) Å, β=91.11(1)°, Z=4, space group P2, P2, Pm or P2/m, Dx=2.438 Mg/m3.

Powder X-Ray Diffraction Data for Ca2Bi2O5and C4Bi6O13

1992 ◽  
Vol 7 (2) ◽  
pp. 109-111 ◽  
Author(s):  
C.J. Rawn ◽  
R.S. Roth ◽  
H.F. McMurdie
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Neutron Powder Diffraction ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Powder Samples ◽  
Orthorhombic Cell ◽  
Unit Cell Dimensions

AbstractSingle crystals and powder samples of Ca2Bi5O5and Ca4Bi6O13have been synthesized and studied using single crystal X-ray diffraction as well as X-ray and neutron powder diffraction. Unit cell dimensions were calculated using a least squares analysis that refined to a δ2θof no more than 0.03°. A triclinic cell was found with space group , a = 10.1222(7), b = 10.1466(6), c = 10.4833(7) Å. α= 116.912(5), β= 107.135(6) and γ= 92.939(6)°, Z = 6 for the Ca2Bi2O5compound. An orthorhombic cell was found with space group C2mm, a = 17.3795(5), b = 5.9419(2) and c = 7.2306(2) Å, Z = 2 for the Ca4Bi6O13compound.

An X-ray powder diffraction study of amine zinc hydroxide nitrate

1995 ◽  
Vol 10 (1) ◽  
pp. 20-24 ◽  
Author(s):  
Patricia Bénard ◽  
Jean Paul Auffrédic ◽  
Daniel Louër
Keyword(s):  
Powder Diffraction ◽  
Rietveld Method ◽  
Zinc Hydroxide ◽  
X Ray ◽  
Metal Atoms ◽  
Type Layer ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Starting Model ◽  
Zinc Hydroxide Nitrate

A new amine zinc hydroxide nitrate has been synthesized and investigated by means of X-ray powder diffraction. The monoclinic unit cell dimensions are a = 20.781(3) Å, b = 6.2151(9) Å, c = 5.4952(6) Å, β = 92.24(1)° (space group C2/m with Z = 2). The crystal structure has been refined by the Rietveld method using the structure of the related dihydrated phase as a starting model (Rp = 0.092 and RF = 0.068 for 372 reflections). The structure is characterized by octahedra [Zn(OH)6] describing a brucite-type layer, with one-quarter of the metal atoms missing, and by tetrahedra [Zn(OH)3(NH3)] located above and below the empty octahedra. The complex positive sheet has the formula [Zn3octa(OH)8Zn2tetra(NH3)2]2+ and the cohesion of the structure is realized through hydrogen bonding.

X-Ray Powder Diffraction (XRPD)

2016 ◽  
pp. 326-341 ◽  
Author(s):  
Robert Heimann
Keyword(s):  
Powder Diffraction ◽  
X Rays ◽  
Powder Diffraction File ◽  
Thin Beam ◽  
Archaeological Ceramics ◽  
X Ray ◽  
Analytical Technique ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

X-ray powder diffraction (XRPD) is an important tool to determine the phase composition of archaeological ceramics. In principle, a thin beam of X-rays incident to a lattice plane of crystalline matter is scattered in specific directions and angles depending on the distances of atoms. This allows determination of characteristic unit cell dimensions and serves to unambiguously identify crystalline phases in the ceramics. In this chapter, generation of X-rays and the theory of diffraction will be briefly discussed as well as equipment, focusing conditions, and sample preparation procedures of common XRPD methods. The X-ray pattern obtained will provide an analytical fingerprint that can be matched against the Powder Diffraction File of the International Centre for Diffraction Data. Examples will be given of application of this analytical technique to archaeological clays and ceramics.

ZrSiO4 mit monokliner Baddeleyitstruktur?.

1976 ◽  
Vol 31 (9) ◽  
pp. 1175-1178 ◽  
Author(s):  
Kurt Walenta
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Limits Of Error ◽  
Zircon Particles

A new compound having the same composition as zircon, ZrSiO4, but differing from it in its structure has been obtained by heating zircon particles to a temperature of 5000 to 10000°K. According to X-ray powder diffraction data the structure and within limits of error also the unit-cell dimensions are identical with that of monoclinic baddeleyite, ZrO2. This suggests that the baddeleyite lattice can not only accommodate 10 molecular % SiO2 as is already known for some time, but substantially more, unless it is assumed that some kind of submicroscopic exsolution of amorphous SiO2 has taken place.

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