Angle‐dispersive powder‐diffraction techniques for crystal structure refinement at high pressure

1992 ◽  
Vol 63 (1) ◽  
pp. 1039-1042 ◽  
Author(s):  
R. J. Nelmes ◽  
P. D. Hatton ◽  
M. I. McMahon ◽  
R. O. Piltz ◽  
J. Crain ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Powder Diffraction ◽  
Structure Refinement ◽  
Crystal Structure Refinement

Crystal and powder XRD data of Mg3(PO4)2-III: High-temperature and high-pressure form

1995 ◽  
Vol 10 (4) ◽  
pp. 293-295 ◽  
Author(s):  
F. Brunet ◽  
C. Chopin ◽  
A. Elfakir ◽  
M. Quarton
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Single Crystal ◽  
Diffraction Pattern ◽  
Structure Refinement ◽  
Powder Xrd ◽  
Single Crystal Structure ◽  
Crystal Structure Refinement ◽  
Pressure Form

A new diffraction pattern of the high-temperature and high-pressure polymorph Mg3(PO4)2-III (PDF 43-500) is given and indexed on the basis of a single-crystal structure refinement. It allows diffractogram indexing of the isostructural high-temperature and high-pressure form of Co3(PO4)2 (PDF 43-499).

Crystal structure of potassium tetraperoxomolybdate (VI) K2[Mo(O2)4]

2005 ◽  
Vol 20 (3) ◽  
pp. 203-206 ◽  
Author(s):  
M. Grzywa ◽  
M. Różycka ◽  
W. Łasocha
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Rietveld Method ◽  
Structure Refinement ◽  
Crystal Structure Refinement ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

Potassium tetraperoxomolybdate (VI) K2[Mo(O2)4] was prepared, and its X-ray powder diffraction pattern was recorded at low temperature (258 K). The unit cell parameters were refined to a=10.7891(2) Å, α=64.925(3)°, space group R−3c (167), Z=6. The compound is isostructural with potassium tetraperoxotungstate (VI) K2[W(O2)4] (Stomberg, 1988). The sample of K2[Mo(O2)4] was characterized by analytical investigations, and the results of crystal structure refinement by Rietveld method are presented; final RP and RWP are 9.79% and 12.37%, respectively.

Crystal structure refinement of A-type carbonate apatite by X-ray powder diffraction

2010 ◽  
Vol 45 (9) ◽  
pp. 2419-2426 ◽  
Author(s):  
Toru Tonegawa ◽  
Toshiyuki Ikoma ◽  
Tomohiko Yoshioka ◽  
Nobutaka Hanagata ◽  
Junzo Tanaka
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Structure Refinement ◽  
Carbonate Apatite ◽  
Crystal Structure Refinement ◽  
X Ray

Absorption corrections for diamond-anvil pressure cells implemented in the software packageAbsorb6.0

2004 ◽  
Vol 37 (3) ◽  
pp. 486-492 ◽  
Author(s):  
R. J. Angel
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Software Package ◽  
Structure Refinement ◽  
Intensity Data ◽  
Crystal Structure Refinement ◽  
Pressure Cell ◽  
Transmission Geometry ◽  
Diamond Anvil ◽  
Microsoft Windows

High-pressure single-crystal structure refinement requires intensity data that have been corrected for the various absorption effects in the pressure cell. In this contribution, the methods for calculating the absorption corrections for a transmission-geometry diamond-anvil pressure cell are reviewed. The ideas presented in this paper have been implemented in a software package for Microsoft Windows,Absorb6.0, available at http://www.crystal.vt.edu/.

Crystal-structure refinement of τ3-Cr4(Al, Si)11 by full-profile Rietveld analysis

2007 ◽  
Vol 22 (3) ◽  
pp. 253-255 ◽  
Author(s):  
Franz Weitzer ◽  
Hailin Chen ◽  
Julius C. Schuster
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Ternary Phase ◽  
Structure Refinement ◽  
Rietveld Analysis ◽  
Crystal Structure Refinement ◽  
Powder Diffraction Data ◽  
Full Profile

Crystal structure of the triclinic ternary phase Cr4(Al, Si)11 was investigated by full-profile Rietveld analysis of powder diffraction data. Four hundred eighty-four reflections were refined to a final RBragg value of 5.00%. Cr4(Al, Si)11 is isostructural to Mn4Al11. Silicon atoms enter into the structure by partially replacing aluminium on the Al(1) and Al(2) sites.

Sign in / Sign up

Export Citation Format

Share Document