Crystal Structure of CaCu0.15Ga3.85—A New Variant of the BaAl4 Structure Type: Structure Analysis from X-Ray Powder Diffraction Data

1995 ◽  
Vol 114 (2) ◽  
pp. 342-345 ◽  
Author(s):  
Yu. Grin ◽  
M. Ellner ◽  
B. Predel ◽  
B. Baumgartner
1997 ◽  
Vol 12 (2) ◽  
pp. 76-80 ◽  
Author(s):  
A. El-Yacoubi ◽  
R. Brochu ◽  
A. Serghini ◽  
M. Louër ◽  
M. Alami Talbi ◽  
...  

A new mixed lead thorium phosphate, Pb0.5Th2(PO4)3, has been isolated in the system PbO–ThO2–P2O5. Its crystal structure (monoclinic symmetry, a=17.459(1) Å, b=6.8451(4) Å, c=8.1438(5) Å, β=101.247(5)°, space group C2/c) has been determined from conventional monochromatic X-ray powder diffraction data. The structure is related to the MITh2(PO4)3 structure type. Lead atoms are located in the channels parallel to the c axis, out of the twofold axis for 0.97 Å, and are statistically distributed on a quarter of crystallographic positions. The thermal stability of this material is greater than that of the monazite-type compound PbTh(PO4)2.


2004 ◽  
Vol 19 (4) ◽  
pp. 372-374
Author(s):  
Jirong Huang ◽  
Lingmin Zeng ◽  
Zhihui Sun

X-ray power diffraction data for CrFe3NiSn5 are reported. Indexing the XRD power pattern and Rietveld refinement shows that the compound crystallizes in the hexagonal crystal system, space group P6mm (No. 183) with lattice parameters a=5.3168(1) Å, c=4.4261(1) Å, z=0.6 and Dcalc=8.011 g cm−3. The crystal structure of CrFe3NiSn5 is of the CoSn structure type with Fe, Cr and Ni disordered in the Co position.


2005 ◽  
Vol 20 (3) ◽  
pp. 189-192 ◽  
Author(s):  
Alexander P. Tyutyunnik ◽  
Vladimir G. Zubkov ◽  
Ludmila L. Surat ◽  
Boris V. Slobodin ◽  
Gunnar Svensson

The compound Na2ZnV2O7 with an åkermanite-type structure has been synthesized. It has a tetragonal unit cell, a=8.2711(4), c=5.1132(2) Å, and crystallizes with P-421m symmetry, Z=2. Its crystal structure has been refined from a combination of X-ray and neutron powder diffraction data. The structure contains layers of corner-sharing VO4 and ZnO4 tetrahedra, the former in pairs forming pyrovanadate V2O7 units. The sodium atoms are positioned between the layers, with a distorted antiprismatic coordination of oxygen atoms.


2014 ◽  
Vol 950 ◽  
pp. 53-56
Author(s):  
Bin He ◽  
Ming Qin ◽  
Liu Qing Liang ◽  
Zhao Lu ◽  
De Gui Li ◽  
...  

Crystal structure and X-ray powder diffraction data for the Al7Cu5Y ternary compound are presented. The compound crystallizes in the body-centered tetragonal with the Al7Fe5Y structure type (space group I4/mmm), the lattice parameters a = 8.6960(9) Å, c = 5.1256(7) Å, V =387.62 Å3, Z =2, ڑx =5.102 g/cm3, F30 = 275.5(0.0033, 33) and RIR =1.23.


2015 ◽  
Vol 1089 ◽  
pp. 102-106
Author(s):  
Liu Qing Liang ◽  
Wen Jun Shen ◽  
Ling Min Zeng ◽  
Cai Min Huang

A new ternary compound TbCo0.67Ga1.33 was discovered and studied by means of X-ray powder diffraction technique. The crystal structure of the new compound was refined by using Rietveld method from X-ray powder diffraction data. This compound crystallizes in the orthorhombic with the CeCu2 structure type( space group Imma, a = 0.43384(6) nm, b = 0.70193(1) nm, c = 0.75617(1) nm, Z = 4, and Dcalc = 8.512 g/cm3 ). The Rietveld refinement results were Rp = 0.0996, Rwp = 0.1277.


2010 ◽  
Vol 25 (3) ◽  
pp. 247-252 ◽  
Author(s):  
F. Laufek ◽  
J. Návrátil

The crystal structure of skutterudite-related phase IrGe1.5Se1.5 has been refined by the Rietveld method from laboratory X-ray powder diffraction data. Refined crystallographic data for IrGe1.5Se1.5 are a=12.0890(2) Å, c=14.8796(3) Å, V=1883.23(6) Å3, space group R3 (No. 148), Z=24, and Dc=8.87 g/cm3. Its crystal structure can be derived from the ideal skutterudite structure (CoAs3), where Se and Ge atoms are ordered in layers perpendicular to the [111] direction of the original skutterudite cell. Weak distortions of the anion and cation sublattices were also observed.


2016 ◽  
Vol 31 (4) ◽  
pp. 292-294 ◽  
Author(s):  
V. D. Zhuravlev ◽  
A. P. Tyutyunnik ◽  
N. I. Lobachevskaya

A polycrystalline sample of Ca4ZrGe3O12 was synthesized using the nitrate–citrate method and heated at 850–1100 °C. Structural refinement based on X-ray powder diffraction data showed that the crystal structure is of the garnet type with a cubic unit-cell parameter [a = 12.71299(3) Å] and the space group Ia$\bar 3$d. The structural formula is presented as Ca3[CaZr]octa[Ge]tetraO12.


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