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Questions tagged [solid-state-chemistry]

Study of chemical species that are in solid phase, either in cases of their properties, or about ways of synthesizing them.

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7
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2answers
409 views

Software for generating a lattice from a unit cell for molecular crystals?

I am looking for a software package which can take a unit cell (and lattice parameters, etc.) and from that generate a crystal lattice. Ideally it will have functionality for orthorhombic, hexagonal, ...
0
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0answers
43 views

Validity of Maxwell-Boltzmann distribution for solids [duplicate]

Suppose there is a solid made of avogadro number of, say, aluminium atoms. This solid is kept at 273 K. According to Maxwell-Boltzmann distribution, all the particles or atoms will not have the same ...
-2
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0answers
47 views

What is the structure of phosphorus pentachloride in the solid state? [closed]

I thought the answer would be $\ce{PCl3}$ seeing as $\ce{PCl5}$ is highly reactive and axial bonds are supposed to be weaker, but the answer given in my text book is $\ce{[PCl4]+[PCl6]-}.$ Also, what ...
3
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0answers
42 views

Electrical and thermal conductivity of graphite

I was reading about carbon family where it was mentioned that electrical conductivity of graphite increases with temperature while thermal conductivity decreases. However, I could not find a suitable ...
0
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0answers
15 views

Is silicon-oxygen bond length non-uniform in quartz glass?

In many pictures depicting the molecular structure of quartz glass(In fact, almost every picture that represents amorphous state of any solid that I have seen), the bond lengths are non-uniform (I do ...
1
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1answer
45 views

Do solids flow? [duplicate]

I am now confused whether solids flow or not. Some people say solidity is only a time scale notion. Some others say solids do not flow at all. While some authors say there is a threshold stress below ...
0
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0answers
27 views

Visualization of all hcp voids

There are 12 tetrahedral voids and 6 octahedral voids in hcp unit cell but I can't find any image that can show all tetrahedral voids and all octahedral voids in hcp unit cell (the common picture in ...
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0answers
40 views

Finding ionic radii from solubility data and density

$\pu{5.35 g}$ of a salt $\ce{ACl}$ is dissolved in $\pu{250 ml}$ of solution. The $\mathrm{pH}$ of the resultant solution was found to be $4.85.$ Find the ionic radius of $\ce{A+}$ and $\ce{Cl-}$ if ...
0
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0answers
22 views

Isotropic nature of Amorphous solid

Check the answer given by Divyansh Jain I am writing this because I am not permitted to comment in that post. Using Divyansh's idea, How can the physical properties be same in amorphous solid if ...
1
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2answers
75 views

What's the definition of multi phase materials? Does it mean the different phases represent different materials?

I'm from a CS background and just trying to understand the real meaning behind multi phase materials. Following is the experiment which drove me towards this question. With the help of DFT and ...
-2
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2answers
34 views

Why the bond angles of crystalline compounds uniform while in the amorphous state the same compound has non uniform bond angles?

For example, let us take amorphous and crystalline quartz. While in crystalline quartz all bond angles are uniform, in amorphous form bond angles vary even though quartz has the same valency. Why is ...
1
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0answers
25 views

How do hard drives store information using magnetic layering? (Antiferromagnetic/ferromagnetic films)

I am doing some work with solid state materials in some chemistry courses and I've been doing some research into exactly how a hard drive stores information as 1's and 0's. It seems like a bunch of ...
1
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1answer
2k views

Contribution of Tetrahedral and Octahedral voids in HCP

I cannot find anywhere what the contribution of atoms situated at octahedral or tetrahedral voids in a HCP unit cell would be. I need to know this to be able to calculate the formula of a compound ...
0
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0answers
30 views

Oxidation states of Cu in YBa2Cu3O6 based on crystal structure [duplicate]

How does on go about this? I understand There is a +5 charge distributed on 3 copper ions. So either we have 2+, 2+ and 1+ or 3+, 1+, and 1+. Judging from the structure there are to unequivalent types ...
1
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0answers
202 views

Conversion of graphite into diamond [duplicate]

The standard state Gibbs free energies of formation of C(graphite) and C(diamond) at $T = \pu{298 K}$ are $\pu{0 kJ mol-1}$ and $\pu{2.9 kJ mol-1}$, respectively. The conversion of graphite [C(...
1
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1answer
27 views

Is there any book or text where ionic radius of elements are given?

So my research has me looking for ionic radius characterization. If anyone could post any link or give the name of any book where ionic radius of all elements are given that would be really great?
0
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0answers
226 views

Packing fractions of HCP and FCC

The packing fractions of hexagonal close packed unit cell and face centred cubic unit cell come out to be same when calculated geometrically. Is it just a coincidence? Differently put, could it be ...
1
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0answers
16 views

charge transfer between layers of graphite with stacking fault

As a general rule, we only expect two parts of a system to have the exact same amount of charge if they are symmetry-related to each other. How much charge transfer would occur in graphite with a ...
2
votes
1answer
78 views

Why does dielectric constant of crystal fluctuates in case of Frenkel defect in a crystal?

So I was studying Frenkel defect in crystal and came across this line that said The closeness of like charges tends to increase the dielectric constant of the crystal. I'm not able to understand ...
8
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2answers
252 views

Calculating the strength of an ionic bond that contains poly-atomic ions

So the bond association enthalpy for ionic compounds like $\ce{NaCl}$ and $\ce{NaBr}$ can be easily calculated from a Born-Haber cycle. But the way a Born-Haber cycle is constructed it uses info that ...
1
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2answers
123 views

Chemical formula of fluoroapatite

My textbook says the formula for fluoroapatite is $\ce{CaF2 * 3Ca3(PO4)2}$, whereas according to Wikipedia it's $\ce{Ca5(PO4)3F}$. What is the correct chemical formula of fluoroapatite and why there ...
3
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1answer
228 views

What does x mean in (1-x)A – xB composite materials, molar ratio, weight ratio or volume fraction?

I've been collecting data about ceramic materials and often I get to see composite materials are described as $(1-x)\ce{A} - x\ce{B}$. I am confused what this $x$ means. And I haven't seen any of the ...
-2
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1answer
139 views

Is there an element with no liquid state? [closed]

I know this question might be dumb but, is there an element that will go directly from solid to gas, with almost no visible or no liquid state? Just a random curious question.
1
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1answer
200 views

How does lime prevent soda lime glass from dissolving in water?

How does lime addition as an ingredient prevent soda lime glass from dissolving in water? Does it form calcium silicate in the process of melting?
3
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1answer
155 views

Influence of the neighbouring molecules in a crystal at the example of XeF4

For reasons of symmetry I (without deeper chemical knowledge) supposed, that $\ce{XeF4}$ has a shape like $\ce{CH4}$. But according to Wikipedia its crystalline structure was determined by both NMR ...
0
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2answers
221 views

Solid state and Bragg's Equation

A frst order reflection from (111) plane is observed for LiX with 2theta =24.6 degree (X-ray of wavelength 1.54 angstrom). Assuming LiX to be a cubic crystal system, calculate the length of the side ...
3
votes
3answers
256 views

How do I know crystal structures from formula?

Give an explanation why $\ce{MgF2}$ and $\ce{CaF2}$ adopt different structure types. For example, the structure of calcium fluoride is 'fluorite' and the structure of magnesium fluoride is 'rutile'. ...
2
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1answer
49 views

vapor pressure of one part of binary compound

Let's say we have a binary compound AB in an enclosed container, and let's say there's a tendency to form B-vacancies so that B atoms/molecules escape and form a vapor. Let's assume there's enough of ...
7
votes
1answer
125 views

Why do we need to add hydrogen to amorphous silicon?

I was recently studying about Staebler-Wronski effect observed in amorphous silicon (a-Si). I realised it was due to imperfections in the lattice structure and breaking of Si-Si bond to Si-H bonds. ...
2
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0answers
158 views

Putting high symmetry points labels to a band structure plot

So far I've got this plot using Quantum Espresso. I want to put gamma, X, L, etc labels to the k-path. Quantum Espresso's ouput states the following: ...
1
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1answer
417 views

Comparing the Lattice energy of different compounds

I am confused about some concepts related to Lattice energy. First of all,how to compare lattice energy between $2$ compounds belonging to different groups and periods? 1.Between $\ce{AlF3}$ and $\...
1
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1answer
34 views

Effective diffusion coefficient of a species in a heterogeneous mixture

I want to calculate the effective diffusion coefficient of hydrogen radical in a mixed-phase consisting of metal oxide, metal hydride and metal. I consider the interfaces to be diffuse. How can I ...
1
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1answer
28 views

Silver in defect chemistry

When talking about conductivity in combination with lattice defects you can often see that AgX is taken as an example for a Frenkel defect where the $\ce{Ag^+}$ moves to intersticial voids. I remember ...
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0answers
29 views

Diffusion equation I can't seem to find anywhere

So I was looking through some old lecture notes from a few years back when I stumbled upon a useful and simple equation that should, according to my former professor describe the diffusion in solid ...
4
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0answers
3k views

Number of octahedral and tetrahedral voids present in a HCP structure

The given image depicts the tetrahedral and octahedral voids in HCP structure. For the tetrahedral part I figured out that there would be 6 tetrahedral voids in total. My visualisation: In the ...
0
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1answer
43 views

How does a molecule find the lowest energy state? [closed]

I understand that in a crystal lattice the molecule will tend towards the structure that is the lowest in energy (fcc, hcp, ccp, etc.). How does the molecule find these lowest energy states? Is it ...
3
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1answer
76 views

Does a molecule need to be placed symmetrically in the unit cell?

I was watching an OCW by MIT (3.091X) on solid state. My previous notion of lattice point and unit cell got shattered after this example. Where are the unit cell and lattice points in this picture? ...
-1
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1answer
62 views

Solid structures related question [closed]

In which of the following compounds are all tetrahedral voids vacant? $\ce{NaCl(s)}$ $\ce{CaF2(s)}$ $\ce{ZnS(s)}$ $\ce{Na2O(s)}$ Kindly explain what this question asks from me and provide a ...
2
votes
2answers
2k views

Understanding Equivalent Wyckoff positions

I'm somewhat confused by the concept of Wyckoff positions in crystal structures. From Quantum Chemistry of Solids by Robert Evarestov, the definition of a Wyckoff position is "all the crystallographic ...
-1
votes
1answer
528 views

Coordination number of spheres (all identical) in hexagonal close packing (HCP)

I was revising solid state chapter when I came across this question What is the maximum coordination number of an atom in a hcp crystal structure of an element? The word 'maximum' drew my ...
3
votes
1answer
1k views

ABC arrangement of FCC/CCP

I know that FCC shows ABC type but I am confused about it. For simple cubic and body centered, it is pretty easy to work out the packing arrangement but FCC is giving me a headache. What is this ...
8
votes
2answers
4k views

Calculate the third and fourth nearest neighbours in bcc

My textbook has given data for third and fourth nearest neighbours to be 12 and 8 with distances $\sqrt{2}a$ and $\frac{\sqrt{11}a}{2}$. I have been able to calculate for the first and second ...
3
votes
2answers
333 views

In a copper wire, how many electrons does each atom give away?

As an ion, copper can give off 1, 2, 3 or 4 electrons. But it has 1 s electron in the last shell and 10 d electrons. So as a metal, how many of those are delocalised and free to move around, and how ...
0
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1answer
668 views

How can a vacancy defect be a stoichiometry defect?

NCERT (India) explain stoichiometric defects as those defects which do not disturb the stoichiometry of the solid. Vacancy defects are stated to be under the category of stoichiometric defects. When ...
0
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2answers
169 views

Formation of strontium peroxide

Wikipedia states: Strontium peroxide is produced by passing oxygen over heated strontium oxide. Upon heating in the absence of $\ce{O2}$, it degrades to $\ce{SrO}$ and $\ce{O2}$. I found some ...
0
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2answers
74 views

Is there an equivalent unit cell that can describe a bcc unit cell where all points are the same element?

Similar to how an NaCl-structure can be described as just a primitive cubic structure if all the lattice points were the same element or ion. I'm asking if there any such alternative for the CsCl-...
0
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1answer
311 views

Will ice be cold or not when formed using pressure? [closed]

We know that ice can be formed either by lowering the temperature of water or by applying more pressure. If we lower the temperature of water the ice so formed will be cool which is obvious. If ice ...
1
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0answers
541 views

Body centered cubic lattice vs Primitive cubic unit cell

I was reading about Bravias lattices(cubic crystal system) when got confused about an article in my book. Please refer to Counting body center as lattice point when basis consists of 2 atoms. The ...
-1
votes
2answers
272 views

Counting body centre as lattice point when the basis consists of 2 atoms

An article in my book gives the following informatiom :- I understood part a) and b) but faced problems with c). It says that here the basis consists of 2 atoms which doesnt seem to be very ...
2
votes
0answers
70 views

Single crystal LiF solid state NMR

I haven't been able to find any literature on $\ce{^{19}F}$ solid state NMR studies of $\ce{LiF}$ crystals, not even $\ce{LiF}$ powders. Is there any NMR chemists who is familiar with $\ce{LiF}?$ Any ...