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 reduce the chi^ value and average R-bragg for rietveld refinement?

am doing the rietveld refinement of TiO2 but there is error related to reduce the chi^ value and average R-bragg. please give me the detail about it.

01 January 2016 7,839 9 View

How to calculate polarization of crystal?

How to calculate polarization of PbTiO3 (tetragonal) and PbZrO3 (rhombohedral) computationally? currently, I'm using CASTEP to calculate those value but unsuccessful

01 January 2016 6,306 4 View

How to build supercell from unit cell?

Hello, I have unit cell with 56 atoms get it from space group fd-3m:origin 2, but now I need a cell of double number of atoms (112 atoms). How can I build a cell with the double number of atoms?

01 January 2016 8,765 6 View

Dear all. Could someone provide me the .cif file of CoFe2O4 (cobalt ferrite) crystallographic data?

I am synthesizing CoFe2O4 (cobalt ferrite), then conducting XRD. But, I need to match with standard PXRD of CoFe2O4 (cobalt ferrite).

01 January 2016 2,029 6 View

What are the habit changes of Garnet from 110 to 211?

I am currently working on habit changes of garnet crystals, considering composition (as Kostov 1968), Size (as Pabst 1943), Diffusion rate (Gullbin and Glazov 2013), growth rate (as Jamtveit et al...

12 December 2015 8,295 1 View

Why is it more difficult to produce large-area single crystals for a ternary compound materials from bulk single crystal growth method?

What are the physical limitations for producing a large-area ternary compound single crystal from bulk single crystal growth method? For those materials that contain only one or two elements, such...

12 December 2015 2,496 5 View

Whether the high intense EPR spectral line corresponds to substitutional occupation of impurity ion in host lattice?

For Vo2+  doped single crystal, I got 32 lines. According to zeeman and nuclear interaction for S=1/2 and I=7/2, 8 lines should be present for single site occupation. One set of 8 lines having...

12 December 2015 8,176 0 View

Why does PXRD data suggest cubic nature but Raman gives Monoclinic?

PXRD data suggests cubic nature but Raman gives Monoclinic why? Which phase i can consier

11 November 2015 4,085 1 View

To obtain protein structures, why should wavelength equal to interatomic distances?

In crystallography, including other approaches to resolve protein structures, is there any explanation why the wavelength that we use must equal to interatomic distances? Is there any way to...

11 November 2015 6,362 4 View

Why can a two fold axis intersect with any axis at any angle without loss of symmetry?

Why can a two fold axis intersect with any axis at any angle without loss of symmetry in the context of X-ray crystallography?

11 November 2015 9,581 4 View

Isn't there any known crystallography structure for cyclooxygenases in human body (Homo sapiens organism) ?

Cyclooxygenases (COX-1, COX-2 ...) seems to be very popular in the community, but I cannot find any crystal structure of homo sapiens cyclooxygenases, neither in RCSB PDB or anywhere else. What...

11 November 2015 908 0 View

Can someone provide me CIF files (Crystallographic Information File)

I want the mentioned CIF files of Alite (42-0551), C3A(Cubic) (38-1429), Belite (33-0302), C3A(ortho) (32-0150), C4AF (30-0226), Calcite (05-0586), Gypsum (33-0311), Quartz (46-1045), Bassanite...

11 November 2015 5,386 10 View

Can anyone tell me the wyckoff positions of Bi, K, Ti and O in Bi0.5K0.5TiO3 and space group?

Can anyone tell me the wyckoff positions of Bi, K, Ti and O in Bi0.5K0.5TiO3 and space group? Thanks in advance

11 November 2015 3,251 5 View

How can I find the 2R value in SAED pattern without any scale bar?

I have the SAED pattern of my sample. Camera length is defined but I have no scale bar to calculate R from the pattern.

11 November 2015 236 4 View

What is the minimum torsion angle required for J and H aggregated crystal packing?

What is the torsion angle required for a crystal packing in a slipped manner? Is there any parameter to judge J/H aggregation through crystal packing? Or we can easily interpret J aggregation by...

11 November 2015 5,068 3 View

Could someone explain more about strain calculations (L and G) using TOPAS? What shows these numbers and etc?

I try to calculate crystal size and strains in Al powder using Topas. After I add strain L to calculation, Topas shows increased crystal size from 100 nm to 150 nm.

06 November 2015 8,592 3 View

Hkl in papers different than space generated ones?

Hello, My component is from the Pbca space group: papers refers to hkl faces and reflexions not in the way software like Fullprof or Mercury generate them. For instance near d=5.7A it should be...

10 October 2015 5,816 2 View

What is space group ,wyckoff position and occupancy of gamma alumina (cubic).I want to these data for create the phase in ebsd analysis?

crystallography

10 October 2015 9,861 1 View

Does anyone know about Laue crystallography?

My question is very simple, why in Laue crystallography, we use polychromatic X-rays?  I've done some research on Google but the answer was not clear. There was one website mentioned very briefly...

10 October 2015 406 11 View

Is this possible to grow a single crystal of Sodium nitrite at normal atm condition with the czochralski method?

I would like to know if it is possible to grow a single crystal of NaNO2 with the CZ method.

10 October 2015 202 3 View

Can someone tell me if this can be a tourmaline crystal?

It fits with tourmaline description but I am concerned about its shape.

09 September 2015 9,718 39 View

Could someone suggest a research group or professor with the fund and PDF position in their group?

I'm an Organic Chemist experienced in the synthesis, characterization and crystallographic study of organic peroxides looking for Professors with the fund and PDF position in their group. I have...

09 September 2015 10,029 0 View

What are the quantum numbers associated with the electron inside the Brillouin zone?

quantum numbers give the information about electron inside orbitals so just want to know the answer as we represent no. of electron inside Brillouin zone..

09 September 2015 1,199 4 View

How do I determine lattice parameter of a tetragonal system by using Nelson-Riley equation?

hello guys My question is "how to determine lattice parameter of a tetragonal system by using Nelson -Riley equation"....?

09 September 2015 7,277 0 View

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