Ashok Bhakar

7 Questions 51 Answers 0 Followers

Questions related from Ashok Bhakar

How to perform simultaneously structural (Rietveld like) and microstructural analysis using WPPM method implemented in PM2K software for powder XRD?

I am learning Whole Powder Pattern Modelling (WPPM using PM2K) of powder XRD data to estimating microstructural properties. In this approach peak intensities are treated as free fitting parameters...

01 May 2020 7,994 1 View

How can I calculate accurate ATZ values for Fullprof program of same ABO3 (PbMg1/3Nb2/3O3) compound with two different space groups (Pm-3m & R3m)?

In multiphase phase refinement % of phases depends on ATZ value. What are the ATZ value for Pm-3m phase of PbMg1/3Nb2/3O3(ATZ calculated by Fullprof=325.25) & for R3m phase of PbMg1/3Nb2/3O3...

18 May 2015 3,129 9 View

How can I apply a user defined space group option in FullProf software for S.G. B1a1(7) for Bi4Ti3O12?

The base centered monoclinic Space group of Bi4Ti3O12 (as per JCPDF # 01-074-7113 (2004)) is B1a1 (7). This is non-convention setting of S.G. P1c1 (7). I want to test my XRD data with S.G. B1a1...

17 June 2014 3,787 2 View

Trend of agreement factors of FullProf software?

The visual inspection of each fitted XRD peak is one of the best way to judge the quality of fit. Improvement of Rietveld fitting is also reflects in the lowering of agreement factors (Rp, Rwp,...

14 February 2014 7,012 3 View

I have a query regarding approval of MSDS and Certificate of Analysis of chemicals?

Chemical powders are supplied by various companies with MSDS & CoA. Are these companies approving for accuracy and validity of MSDS & CoA from an organization/ agency? If so, could anyone provide...

19 September 2013 6,829 3 View

What are the lattice parameter values of Si & LaB6 calibrant used in FIT2D program: v12.077?

There are series of NIST standard Si (640) and LaB6 (660) available, having slightly different lattice constant "a" e.g. Si 640b: 5.430940(11) & Si 640d: 5.43159 (20). In this case, lattice...

16 August 2013 1,963 0 View

How to define occupancy in FullProf, when atoms are disordered to higher multiplicity positions?

In an ideal cubic perovskite (ABO3) compound with SG pm-3m atomic positions are A at 1a (0, 0, 0); B at 1b (0.5, 0.5, 0.5) and O at 3c (0, 0.5, 0.5). In FULLPROF program their occupancies can be...

08 May 2013 9,411 10 View