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

How can I find lattice parametr from 2 theta , d value and intensity ?

I have 2 theta value like 1) 10.500 2) 14.02 3)16.000 4)19.620 5)21.660 6)22.480 7)24.300 . How can i find hkl and lattice parameter

08 August 2016 9,443 5 View

How did TOPAS define the Scale factor during Rietveld refinement?

How did TOPAS define the Scale factor during Rietveld refinement? Is it define by the area or some other form?

02 August 2016 2,455 3 View

How to make crystal that is absorbing NO2 gas?

I want to make crystal structure that is absorbing NO2 gas. while absorbing NO2 gas, it will not interact with the crystal and the crystal structure also remains same. Please kindly suggest me how...

28 July 2016 353 2 View

Is there any possibile situation where binding energy of electron is equal to the bandgap of the particular material?

Device physics and crystallography

07 July 2016 7,287 3 View

How to make crystal that is absorbing NO2 gas?

I want to make crystal structure that is absorbing NO2 gas. while absorbing NO2 gas, it will not interact with the crystal and the crystal structure also remains same. Please kindly suggest me how...

07 July 2016 859 3 View

Crystallite size measurement by Scherer formula?

Hi all, I calculated crystallite size for Mg(OH)2 sample  from results of  XRD. I used the strongest peak ( (101) ) to calculate FWHM. check other peaks to calculate the crystallite size and then...

07 July 2016 4,390 4 View

Is there a free software for indexing of a two-dimentional single-crystal x-ray diffraction pattern?

I need to investigate the structure of a single crystal. All I have is a number of two-dimentional diffraction patterns, measured at random orientation of a crystal. I am looking for a free...

07 July 2016 2,159 3 View

How Can I analyze the SAED pattern and calculate the d-spacing from it?

The SAED pattern is generated from a graphene oxide sample. What are the conclusions can I draw from this image? 

07 July 2016 5,555 5 View

What are the basic steps in determining the Raman Peak Positions for a new compound?

If the crystal structure of the compound is known using XRD, how can we estimate the Raman Peak Positions?  

07 July 2016 9,269 3 View

How Can I analyze the SAED pattern and calculate the d-spacing from it?

The SAED pattern is generated from a graphene oxide sample. What are the conclusions can I draw from this image? 

01 July 2016 7,310 5 View

How to determine the charge ordering type of perovskite structure manganites, such as La0.5Sr0.5MnO3, experimentally?

There seems to be 4 types of order in perovskite manganite, i.e. Type A, Type G, Type E and Type C, according to Goodenough (Physical Review, 1955, 100, 564-573). However, up to now, it seems that...

23 June 2016 1,176 4 View

How I get draw geometry of atomic crystals for atomic position for siesta input?

I am interested in nano clusters of CdS, but unable to draw structure. how I get atomic positions?

10 June 2016 7,694 2 View

I want to simulate PVA structure in Siesta. How can I prepare my fdf file? Is there any way to find the atomic coordinates for stable configurations?

DFT, Siesta, Crystallography, Ab Initio, CIF, PVA, Organic Polymers, Nanomaterilas, First Principle simulations, Computational chemistry

06 June 2016 4,871 0 View

How to determine the charge ordering type of perovskite structure manganites, such as La0.5Sr0.5MnO3, experimentally?

There seems to be 4 types of order in perovskite manganite, i.e. Type A, Type G, Type E and Type C, according to Goodenough (Physical Review, 1955, 100, 564-573). However, up to now, it seems that...

06 June 2016 5,136 4 View

Does anyone have a photograph of Si atoms (or any atoms) in a crystal lattice, as obtained by any microscopic means?

I know many scientists claim that they succeeded in measuring atomic spacings down to a few picometres using ultrahigh-resolution electron microscopy. Is there a proof that what they got is not...

06 June 2016 7,314 8 View

Where can I get the family of compounds having Sillen-Aurivillius perovskite crystal structure?

Sillen-Aurivillius phases

06 June 2016 3,799 2 View

What type furnace is used for growing single crystals by flux method?

Researchers have used vertical tube furnaces with a temperature gradient as well as simple muffle furnaces.  Which one is most appropriate for growth of single crystals by flux method.

06 June 2016 7,235 17 View

How I get draw geometry of atomic crystals for atomic position for siesta input?

I am interested in nano clusters of CdS, but unable to draw structure. how I get atomic positions?

06 June 2016 526 2 View

With FREE SOFTWARE- How can I plot a theoretical powder pattern from a CIF file from crystallography.net, and then compare it to my powder data?

1) I have .cif files from crystallography.net 2) I have various bits of software on my WINDOWS 10 machine for XRD analysis 3) I am not a crystallographer and not an expert in Refinement 4) I don't...

06 June 2016 1,346 14 View

What is reciprocal lattice in crystallography ?

hi

06 June 2016 5,244 2 View

Increasing yield of protein in BL21 DE3

I am trying to overexpress a 13 kDa soluble protein in BL21-DE3. So far I am getting very poor yields (0.7 mg/Liter) and am needing tonnes of cultures to have enough protein for ITC and...

06 June 2016 3,099 3 View

Can I determine crystallographic planes, as anatase and rutile from the image j program?

I have TEM images of TiO2 nanoparticles and I would like determine the crystalographic planes, but I don't know to do this from Image J program. Is it possible to do this?

31 May 2016 8,964 3 View

What will be the procedure/strategy for shutterless data collection using Photon 100 CMOS detector in Bruker D8 venture instrument?

Hi! I am using Bruker D8 venture instrument equipped with APEX 2 software. How can I make the strategy for shutterless data collection for small molecule?

19 May 2016 1,377 2 View

The effect of c/a ratio on the deformation of hcp metals?

It is confirmed that Al alloying increases the c/a ratio of Ti(Al) alloys, which in one aspect assists basal slip. Is there any physical mechanism or recommended paper on the impact of c/a ratio...

18 May 2016 8,470 7 View

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