Crystallography

The branch of science that deals with the geometric description of crystals and their internal arrangement. (McGraw-Hill Dictionary of Scientific... | Contact experts in Crystallography to get answers

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Questions related to Crystallography

Generating reciprocal lattice using Fourier transform - what do imaginary terms represent?

Most books on solid state physics and/or crystallography state that the reciprocal lattice is the Fourier transform of the crystalline lattice in real space. I have not, however, come across a...

28 December 2018 5,388 1 View

How can I determine the charge state of an atom in crystal?

I doped little amount of silver atom to a crystal (< 1 mol%). And I would like to know the charge state of the doped silver atom in crystal. Is there any way to figure it out in experimental...

08 November 2018 8,541 5 View

CIF file for Titanate nanotubes?

Hi, Where can I find a correct crystallography information file (.cif) for titanate nanotubes? I need crystal structure information, as atom fractional coordinates. Thanks!

05 November 2018 4,723 5 View

Lower crystal symmetry --> larger unit cell parameters variation: Correct? If so - which paper citation is to be used?

Hello. I have some unit cell parameters calculated and I notice larger angles variations for low-symmetry (monoclinic, triclinic) compounds. I think I've once read that, because of the larger...

12 September 2018 3,850 8 View

How to prepare HEPES Sodium buffer from HEPES?

Hi All: One of my crystallisation condition contains HEPES-Sodium. During the process of optimisation, I am trying to make HEPES-Sodium buffer using HEPES and NaOH. It will be really helpful if...

05 September 2018 7,171 3 View

ISTART and VASP?

The manual for VASP recommends using ISTART = 1 for calculations wherein the cell shape/volume changes, but it recommends ISTART = 2 for the same scenario as well. A little clarification (+...

26 July 2018 4,331 6 View

Is microscale thermophoresis (MST) suitable to investigate the replacement of a protein in a homodimer with a protein resulting in a heterodimer?

We are working on a family of proteins that forms homo and heterodimers. We have GFP labelled one of the members and would like to test this against an unlabelled other member of the same protein...

13 June 2018 9,150 2 View

As we Know there are mainly 5 poly types of SiC (2H, 3C, 4H, 6H, and 15R SiC polytypes). Which one is best for refractory grade and why?

2H, 4H, 6H represents the hexagonal polytypes, and 3C for cubic. My query is which one is best for refractory grade and how it differs from other grades. 15R is for rhombohedral & perhaps not...

23 May 2018 2,446 3 View

Why 002 reflections are absent in spinel oxides (FCC)?

For example, magnetite (Fe3O4) does not contain 002 reflections but contains 004 reflections, though it has FCC structure. Is it because of the structure factor? In my case, I have an oxide that...

30 April 2018 2,182 4 View

Occupancy in crystallography refinement programs - Fullprof?

This may be a silly question, but I am learning to use programs that run the rietveld method, more specifically Fullprof. I was running a complex structure that I already know, but still having...

18 April 2018 8,959 8 View

Can anybody help me to elaborate the concept of wyckoff positions in crystallography?

Can anybody help me to elaborate the concept of wyckoff positions in crystallography?

11 April 2018 6,258 3 View

Have you ever seen XRD peak at 4.12 A for Ni3Al?

In synchrotron XRD of Ni/Ni3Al I have found low angle peak with twice bigger interpalanar distance than 111 (2.06 A) at 4.12 A. Can it be instrumental artefact?

20 March 2018 8,314 6 View

What is the formula to calculating the lattice parameter or lattice constant of hexagonal structure in RHEED? How to sign the ZOLZ and FOLZ?

RHEED, Crystallography

17 March 2018 3,006 3 View

What is the relation between lattice parameters and particle size in manganites??

The change in particle size is resulting in change in unit cell lattice paramaters in manganites. Please explain it in terms of crystallography and why is it so.

01 March 2018 1,701 3 View

What is the significance of plate groups in martensite?

When steel is quenched to room temperature from an austenitic state, martensite is formed if the cooling rate is suitably high and the martensite start temperature is above room temperature. Low-...

05 January 2018 770 1 View

How can i find the .cif file for SBA-15?

I'm looking for the .cif structure but i don't know how find in inorganic crystallography data base. it seem each structure have a special number and i don't know how to find the related number...

29 December 2017 5,107 4 View

Can I calculated the particles size using XRD ?

hello , I'm Arika from Indonesia. I have a question. I wanna ask you, I have an amorphous material, the material is silica. I have some of sample, and I studies their crystallography using XRD....

19 December 2017 4,263 12 View

Find the closet common plane or direction with its deviation?

There are some Euler Angles (Bung) (phi1, PHI, Phi2) in BCC structure. How can I find the closet common plane or direction (i.e. (001), (011), (111), and (112)) with its deviation for each one....

09 November 2017 3,421 3 View

Can anyone tell me how to solve the A level alert in checkcif [Alert: Strange C-O-H Geometry (C-O > 1.45 Ang)….]?

Crystallography, CIF

28 October 2017 2,137 2 View

Cryo-TEM & X-ray crystallography? Where is there comparative superiority?

Specially in the case of cyclodextrin, Crown ether system which would be more superior??

14 October 2017 8,766 3 View

Reason behind epitaxial and polycrystalline growth [substrate effect]

Lattice matched single crystal substrates result in the epitaxial growth of materials. This is due to the less strain in the crystal, thereby exhibiting the material in a low energy state. On the...

11 August 2017 9,021 4 View

Where can I find cif files for ferric citrate monohydrate and ferric oxalate hexahydrate?

I need help acquiring cif files for Iron (III) citrate monohydrate and Iron (III) oxalate hexahydrate.  I have already scoured the Crystallography Open Database and the American Minerologist...

08 August 2017 6,606 4 View

What factors affects on the Bragg low in crystallography leading to the deviation of Bragg low??

please tell me about what factors affects on the Bragg low in crystallography leading to the deviation of Bragg low?? 

08 June 2017 10,060 4 View

What factors affects on the Bragg low in crystallography leading to the deviation of Bragg low??

please tell me about what factors affects on the Bragg low in crystallography leading to the deviation of Bragg low?? 

06 June 2017 2,402 4 View

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