POWD, an interactive program for powder diffraction data interpretation and indexing

Abstract

An interactive program, POWD, written in Fortran77, for powder diffraction data interpretation and indexing is described. Various functions such as the least‐squares refinement and the systematic absence test are also included in this versatile program. The modified de Wolff figure of merit [Wu (1988). J. Appl. Cryst.21, 530–535] is introduced in the program to decrease the execution time and estimate the reliability of the indexing. Very high success rates for indexing and tolerance of the presence of limited impurity lines are demonstrated by testing the program on several groups of powder data.

Impedance spectroscopy study of Na2SmV5O15 ceramics

“…These are a = 18.0487(33) Å, b = 16.9000(33) Å, c = 3.4986(33) Å, and V = 1067.14 Å 3 (the number in parenthesis is estimated standard deviation). These unit cell parameters are in good agreement with those of reported ones [14,15] for the TB structure. However, with limited data, it is not possible to determine crystal structure and the space group of the compound.…”

“…The lattice parameters of the selected unit cell were refined using the least-squares sub-routine of a standard computer program package "POWD" [15]. These are a = 18.0487(33) Å, b = 16.9000(33) Å, c = 3.4986(33) Å, and V = 1067.14 Å 3 (the number in parenthesis is estimated standard deviation).…”

High-pressure X-ray diffraction study of UMn2Ge2

“…Unit cell parameters up to 12.4 GPa pressure, where the tetragonal structure corresponding to the I4/mmm space group is retained, were refined from fitted peak positions using program PowdMult [7]. Variation of cell parameters with pressure is shown in Fig.…”

Effect of Rare Earth (Sm) ion Substitution on Structural, Dielectric, and Transport Properties of PZT Ceramics

“…All the reflection peaks were indexed in tetragonal crystal system using computer software POWDMULT [16]. On the basis of best agreement between the observed (obs) and the calculated (cal) dspacing (i.e.,∑ Δd = d obs − d cal = minimum), all the PSZT compounds were found to be in tetragonal crystal system with their refined lattice parameters given in Table 1.…”