2021.9.22 last updated
Five Minutes Experience of Z-Rietveld and Z-3D using a sample file #1 (LaB6)
- starting Z-Rietveld by double click the icon
![image](https://user-images.githubusercontent.com/79017935/129660130-552fa48f-de35-4a98-8571-07670e108800.png)
- File Menu -> New Analysis
![image](https://user-images.githubusercontent.com/79017935/129660151-a0f0e2c7-6207-4b19-a96c-ce5b7bd468dc.png)
- Click ‘Add Histogram file’ and specify a histogram file (diffraction data) with the name of‘LaB6_LaboratoryXRD.histogramIgor’ in the Z-Rietveld Sample data #1.
![image](https://user-images.githubusercontent.com/79017935/129660164-7c557f1f-faa3-4fa3-9b24-12159c488064.png)
- Click ‘Select Diffractometer’ and specify a diffractometer file (the diffractometer information included) with the name of ‘LabXRD_for_LaB6_160328.zDiffractometer’ in the above Z-Rietveld Sample data #1.
![image](https://user-images.githubusercontent.com/79017935/129660172-a1519490-b723-467c-a815-93c18eec2202.png)
- Click ‘Create New Analysis Data…’, and push return key. Then a file with a name of LabXRD_for_LaB6_160328.zrietveld is created (default file name). All of your analysis results will be stored in LabXRD_for_LaB6_160328.zrietveld. After LabXRD_for_LaB6_160328.zrietveld is created, a ‘diffraction pattern window’ is displayed.
![image](https://user-images.githubusercontent.com/79017935/129660192-67e37924-75bb-4900-894c-4fc3c5bdae34.png)
- Input & Edit crystal structure parameters
The crystal structure parameters can be input either by hand or from files. But, here, read crystal structure data from either LaB6_110107.zdf or LaB6_LaboratoryXRD6_a.cif.
![image](https://user-images.githubusercontent.com/79017935/130551256-d612896f-48d7-4096-aaa9-8f6654ea2523.png)
![image](https://user-images.githubusercontent.com/79017935/130551313-34b35296-e7ca-4e2e-8cda-f6649851d756.png)
![image](https://user-images.githubusercontent.com/79017935/130554671-6f997147-cb35-4751-8652-d23fe9e10e26.png)
- Execute Rietveld analysis.
By pushing these buttons, you can execute simulation and/or Rietveld analysis. The first push is to ‘generate crystallographic constraints’, and the second push is to ‘generate reflections’. By the third pushing ‘Run’ button, you can start Rietveld analysis.
![image](https://user-images.githubusercontent.com/79017935/130555671-a6e19f3d-9607-4b89-8586-581e2060faef.png)
- Examine the analysis results.
You can find the result in Log in two ways.
![image](https://user-images.githubusercontent.com/79017935/130555499-3d04e627-b18c-40cf-88f7-008b8de43598.png)
It is strongly recommended you carefully check the Rietveld fitting pattern: enlarging patterns give valuable information.
- Output your results.
![image](https://user-images.githubusercontent.com/79017935/130557688-9c77b822-3ad1-45f6-ba03-8ec58468dd4c.png)
- Draw Crystal Structure with using Z-3D
Firstly, please output the cif file as shown above.
10-1. Double click Z-3D
![image](https://user-images.githubusercontent.com/79017935/130558167-20fb24eb-a132-4ac6-86be-4ba2ae7977d3.png)
10-2. File > Open cif file
![image](https://user-images.githubusercontent.com/79017935/130558012-5387f4db-85a7-4a88-b619-b0441bfca751.png)
![image](https://user-images.githubusercontent.com/79017935/130558639-3b9cd057-7e69-405f-8859-9ae4ddb35cbe.png)