search a cif file for your parent materials, then use the resulting data in vesta

1. file open

2. utilities

3. powder diffraction patterns

Finally, your parent receives a spectrum, allowing you to recognize your structure and space group. ( using COD search in any web search)

JCPDS has long since been superseded by ICDD and all cards have numbers with format xx-yyy-zzzz.

Assuming 00-001-1208 from the year 1951 is the one you want, you should be aware that it has a status of "deleted" and is evaluated as a quality of "low precision". But since you know what you're asking for, see Clipboard01 attached.

Note that there was a star quality (highest quality) Mo card issued in 1953 and there were acceptable quality cards based on data from 1921. Why do you want a low-quality deleted card - lowest quality ever published for Mo?

See attached dcliipboard02 for a higher quality result.

BTW the PDF data base is not and never was free, but from discussions with ICDD, I believe they grant the right to publicly share individual cards like the attached.

Dear Manik Bhowmik ,

for the (100) and the (111) reflections of Mo please see my answer here:

https://www.researchgate.net/post/What_is_the_XRD_peak_value_of_MolybdenumMo_single_crystal_of_100_and_111_orientation;

The dhkl spacíngs can be calculated via the formula given there and from that you may calculate the (hypothetical) peak positions (theta or 2theta) of these peaks via the Bragg-Law*).

But the peak 'intensities' I of them are zero in a perfect single crystal of Mo due to the selection rules with respect to the structure factor Fhkl (Mo has got a BCC type of crystallographic lattice). Thus these reflections do not show up on the above tables.

... and you will rarely find them in real Mo XRD pattern.

Only in the case when there are a very lot of crystal lattice defects and a very lot of impurities, the BCC symmetry is partially broken, you might 'see' very tiny ones of these peaks at or close to their hypothetical positions.

*) lambda = 2*dhkl * sin(theta) ; with lambda being the x-ray wavelength in use.

Best regards

G.M.