Tabular processor for X-ray diffractometry

Introduction

The program RTP is intended for the specialists in the area of X-ray analysis of crystal materials in various directions of science and technology. It allows to calculate the crystal lattice parameters (lattice constants) for syngonies from cubic to triclinic and also allows to calculate the reflexes positions for known parameters and diffraction indices. In addition, it has an indexing feature — determination the indices using shuffle technique for lattices up to monoclinic with unknown parameters, if the assumptions of lattice type and possible limits on indices and parameters do exist.

Technical characteristics

• Calculated lattice types: from cubic to triclinic.
• Calculated data: lattice constants and cell volume; c/a relation for hexagonal, tetragonal and orthorhombic lattice; orthorhombic splitting.
• Limits by indices h k l: from 0 to 99
• Limits by interplanar distances: 0.02...99 Å
• Limits by lattice edges a, b, c: 2...99 Å
• Maximum line number in the table: 440
• Precision of calculated parameters: 0.0001 (0.00001) Å
• Labelling the set of lines in the table as a separate phase (up to 4 phases).
• Calculation of the position of lines with generation of h k l by given parameters and lattice type.
• Calculation of the position of lines by given parameters and indices h k l, listed in the table.
• Calculation of the specimen displacement by experimental angles of standard substance or by minimal divergence of calculated results.
• Calculation of the molar mass and theoretical density by the chemical formula and cell volume.
• Indexing with shuffle or by known h k l methods for lattices from cubic up to monoclinic.
• Reading the PDF cards in *.aid format saved by PCPDFWIN program (PDF-2 software kit); reading the text files with 2th or d, intensity and indices (for example, exported from a spreadsheet); reading the American Mineralogist Crystal Structure Database (AMS) diffraction data files.
• Saving 2th and intensity table in text format for a phase analysis program and the table with results in CSV format for a spreadsheet.

System requirements

Win32 version: Windows XP or later
(Windows 7 or later is highly recommended).
Monospaced font: Lucida Console 12...16 pt.

Help and documentation

Examples of calculations

Files

The main archive contains the version of the program for Windows XP or later (RTP32.EXE, RTP.CHM, RTPWL.INI, RTPAM.INI). Another archive includes the test examples, which contain the tables of diffraction lines of various samples or the data taken from PDF for calculation the parameters; examples are especially useful to understand the indexing process. Remark: this set of examples is outdated, more contemporary version is in work.

Remark: you can unpack the cab archives using the Explorer or the program extrac32.exe.

Screen of the program RTP 5.0 beta, which is currently in development. Light scheme, font Cambria 14 pt.