Synthesis and Rietveld refinement of the ternary skutterudite RuSb2Te

2011 ◽  
Vol 26 (4) ◽  
pp. 331-334 ◽  
Author(s):  
F. Laufek ◽  
J. Návrátil

The RuSb2Te compound has been synthesized and structurally characterized from powder X-ray diffraction data. RuSb2Te has the skutterudite structure, Im3 symmetry, unit-cell parameter a = 9.2665(1) Å, V = 795.70(1) Å3, Z = 8, and Dc = 7.88 g/cm3. The Sb and Te atoms randomly occupy the crystallographic 24g position; no indications of ordering of Te and Sb atoms have been detected.


1987 ◽  
Vol 2 (4) ◽  
pp. 225-226
Author(s):  
Peter Bayliss ◽  
Slade St. J. Warne

AbstractMagnesium-chlorophoenicite may be differentiated from the Mn-analogue chlorophoenicite, because for magnesium-chlorophoenicite at 7Å, whereas for chlorophoenicite.In a review of the literature for the Mineral Powder Diffraction File by Bayliss et al. (1980), powder X-ray diffraction data could not be found of the mineral species magnesium-chlorophoenicite, (Mg,Mn)3Zn2(AsO4)(OH,O)6. Dunn (1981) states that the powder X-ray diffraction data of magnesium-chlorophoenicite is essentially identical to that of chlorophoenicite (Mn analogue) and confirms that the minerals are isostructural.With the crystal structure parameters determined by Moore (1968) for a Harvard University specimen from New Jersey of chlorophoenicite, a powder X-ray diffraction pattern was calculated with the programme of Langhof, Physikalische Chemie Institute, Darmstadt. The calculated pattern was used to correct and complete the indexing of the powder X-ray diffraction data of chlorophoenicite specimen ROM M15667 from Franklin, Sussex County, New Jersey, U.S.A. by the Royal Ontario Museum (PDF 25-1159). With the correctly indexed data of ROM M15667, the unitcell parameters were refined by least-squares analysis and are listed in Table 1.The most magnesium-rich magnesium-chlorophoenicite found in the literature is a description of Harvard University specimen 92803 from Franklin, Sussex County, New Jersey, U.S.A. by Dunn (1981), where Mg is slightly greater than Mn. A 114.6 mm Debye-Schemer film taken of HU92803 with Cu radiation and a Ni filter (CuKα = 1.5418Å) was obtained from Dr. P. Dunn and measured visually. The unit-cell parameters, which were refined by least-squares analysis starting from the unit-cell parameters of PDF 25-1159 in space group C2/m(#12), are listed in Table 1, and give F28 = 4.1(0.050,136) by the method of Smith & Snyder (1979).The hkl, dcalulated, dobserved and relative intensities (I/I1) of HU92803 are presented in Table 2. With the atomic positions and temperature factors of chlorophoenicite determined by Moore (1968), the Mn atomic positions occupied by 50% Mg and 50% Mn, and the unit-cell parameters of HU92803, a powder X-ray diffraction pattern was calculated and Icalculated is recorded in Table 2. A third powder X-ray diffraction pattern was calculated with the Mn atomic positions fully occupied by Mg. Because the atomic scattering factor of Mn is more than twice greater than Mg, chlorophoenicite may be differentiated from magnesium-chlorophoenicite based upon the calculated intensities of the first three reflections given in Table 3.Although the a, c and β unit-cell parameters of chlorphoenicite are similar to those of magnesium-chlorphoenicite, the b unit-cell parameter of chlorophoenicite is significantly greater than that of magnesium-chlorophoenicite (Table 1). The b unit-cell parameter represents the 0–0 distance of the Mn octahedra (Moore, 1968). Since the size of Mn is greater than that of Mg, chlorophoenicite may be differentiated from magnesium-chlorophoenicite based upon the b unit-cell parameter given in Table 1.American Museum of Natural History (New York, N.Y., U.S.A.) specimen 28942 from Sterling Hill, Ogdensburg, New Jersey is composed of willemite, haidingerite and magnesian chlorophoenicite. A spectrographic analysis of the magnesian chlorophoenicite shows As, Mg, Mn and Zn. Powder X-ray diffraction data (PDF 34-190) of the magnesian chlorophoenicite was collected by diffractometer with Cu radiation and a graphite 0002 monochromator (Kα1 = 1.5405) at a scanning speed of 0.125° 2θ per minute. The unit-cell parameters, which were refined by leastsquares analysis starting from the unit-cell parameters of PDF 25-1159, are given in Table 1. Specimen AM 28942 is called chlorophoenicite, because of its large b unit-cell parameter (Table 1), and the I/I1 of 25 for reflection 001 and of 50 for reflection 201 compared to the Icalculated in Table 3.



1996 ◽  
Vol 11 (1) ◽  
pp. 31-34 ◽  
Author(s):  
Nicole M. L. N. P. Closset ◽  
René H. E. van Doorn ◽  
Henk Kruidhof ◽  
Jaap Boeijsma

The crystal structure of La1−xSrxCoO3−δ (0≤x≤0.6) has been studied, using powder X-Ray diffraction. The crystal structure shows a transition from rhombohedral distorted perovskite for LaCoO3−δ into cubic perovskite for La0.4Sr0.6CoO3−δ. The cubic unit cell parameter is ac=3.8342(1) Å for La0.4Sr0.6CoO3−δ, the space group probably being Pm3m. Using a hexagonal setting, the cell parameters for La0.5Sr0.5CoO3−δ, are a=5.4300(3) Å, c=13.2516(10) Å; a=5.4375(1) Å, c=13.2313(4) Å for La0.6Sr0.4CoO3−δ; a=5.4437(1) Å, c=13.2085(5) Å for La0.7Sr0.3CoO3−δ; a=5.4497(2) Å, c=13.1781(6) Å for La0.8Sr0.2CoO3−δ and a=5.4445(2) Å, c=13.0936(6) Å for LaCoO3−δ with the space group probably being R3c.



Author(s):  
W. A. Crichton ◽  
G. B. M. Vaughan ◽  
M. Mezouar

AbstractThe structure of a 2-chain helical form of sulphur with 9 atoms per unit-cell has been determined from powder synchrotron x-ray diffraction data obtained at 3 GPa and 400ºC, using a combination of global optimization, simulated annealing and Rietveld refinement techniques. Final refinement of the structure in trigonal space group



2015 ◽  
Vol 30 (1) ◽  
pp. 63-66 ◽  
Author(s):  
Chao Zeng ◽  
Guoqiang Lin ◽  
Weijing Zeng ◽  
Wei He

The crystal structure of new Tb3CuAl3Ge2 quaternary compound was studied by the Rietveld method from powder X-ray diffraction (XRD) data. The Tb3CuAl3Ge2 compound crystallized in the hexagonal Y3NiAl3Ge2-type structure with space group P-62m (no. 189) and lattice parameters a = 7.0041(2) Å, c = 4.1775(1) Å, V = 177.48 Å3. There is only one formula in each unit cell, Z = 1, and the density of Tb3CuAl3Ge2 is ρx = 7.1696 g cm−3. The reliability factors characterizing the Rietveld refinement results are Rp = 6.43%, Rwp = 8.65%, RB = 4.81%, and RF = 4.09%, respectively. The powder XRD data of Tb3CuAl3Ge2 were presented and the reliability of indexation is F30 = 120.9(0.0073, 34).



1999 ◽  
Vol 14 (2) ◽  
pp. 456-459 ◽  
Author(s):  
V. Swamy ◽  
N. A. Dubrovinskaya ◽  
L. S. Dubrovinsky

Powder x-ray diffraction data of yttria (Y2O3) were obtained from room temperature to melting point with the thin wire resistance heating technique. A solid-state phase transition was observed at 2512 ± 25 K and melting of the high-uemperature phase at 2705 ± 25 K. Thermal expansion data for α–Y2O3 (C-type) are given for the range 298–2540 K. The unit cell parameter increases nonlinearly, especially just before the solid-state transition. The x-ray diffraction spectrum of the high-temperature phase is consistent with the fluorite-type structure (space group Fm3) with a refined unit cell parameter a = 5.3903(6) Å at 2530 K. The sample recrystallized rapidly above 2540 K, and above 2730 K, all the diffraction lines and spots disappeared from the x-ray diffraction spectrum that suggests complete melting.



1974 ◽  
Vol 23 (1) ◽  
pp. 265-274 ◽  
Author(s):  
S. Popović ◽  
M. Šljukić ◽  
F. Hanic


1997 ◽  
Vol 12 (4) ◽  
pp. 242-244 ◽  
Author(s):  
Y. T. Zhu ◽  
P. S. Baldonado ◽  
E. J. Peterson ◽  
D. E. Peterson ◽  
F. M. Mueller

Rietveld analysis of X-ray powder diffraction data was performed on SmBa4Cu3O8.5+δ, which was synthesized from precursors Sm2O3, BaO2, and CuO at 1000 °C in an oxygen atmosphere. SmBa4Cu3O8.5+δ has a cubic perovskite-related structure that is isostructural with YBa4Cu3O8.5+δ, and a doubled perovskite unit cell parameter of 8.177 90±0.000 04 Å.





2003 ◽  
Vol 18 (1) ◽  
pp. 56-59 ◽  
Author(s):  
Herman Koster ◽  
Fre´de´ric H. B. Mertins

X-ray powder diffraction data for Ba0.5Sr0.5Co0.8Fe0.2O3−δ are reported. The powder was prepared using a metal-EDTA complexing method. The XRD data could be fitted with a primitive cubic unit cell in space group Pm3m (No. 221). The Rietveld refined unit cell parameter is ac=0.398 30(3) nm with Z=1 and Dx=5.75 g/cm3.



Sign in / Sign up

Export Citation Format

Share Document