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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
415 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
44 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 ...
1
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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 ...
9
votes
3answers
17k views

How to calculate the height of an hcp lattice?

A hexagonal closed packing (hcp) unit cell has an ABAB type of packing. For calculating the packing fraction we require the volume of the unit cell. Volume of hcp lattice = (Base area) $\cdot$ (...
0
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2answers
224 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 ...
0
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0answers
23 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
vote
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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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 ...
24
votes
5answers
11k views

Why are there only 7 types of unit cells and 14 types of Bravais lattices?

Why are there only 7 types of unit cells and 14 types of Bravais lattices? I was reading about solid-state chemistry for the first time and this limitation made no sense to me. I tried to do the ...
2
votes
1answer
80 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 ...
2
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3answers
3k views

Boyle's Law of pressure and volume

Boyle's Law states that pressure is inversely proportional to volume. However, let's take an example of a balloon: as we fill air in it, its pressure increases, but its volume also increases. Can ...
-2
votes
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 ...
13
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1answer
171 views

Physical meaning of thermal parameters dimension (Ų)

In single-crystal x-ray crystallography both isotropic and anisotropic displacement parameters $U_{ij}$ of thermal ellipsoids have dimension of square angstrom ($Å^2$) as follows from the definition ...
27
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2answers
1k views

What makes Gorilla Glass more durable with each generation?

Gorilla Glass (GG) is one of the most recognizable brands of toughened glasses today, thanks to their marketing and widespread usage in various gadgets and automobile industry. According to Wikipedia,...
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 ...
8
votes
2answers
253 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 ...
3
votes
1answer
731 views

Calculating the ionic polarizability from the Clausius-Mossoti relation

The concentration of atoms in a crystal is $N_d = \pu{2.24e28 m-3}$, and the relative dielectric constant is $\varepsilon_{r} = 5.62$. The crystal has a refractive index of $n = 1.5$. Using the ...
-1
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1answer
37 views

Concentration of electrons in silicon sample with a phosphorus dopant

I'm studying electrical and computer engineering and all I remember from chemistry is from high school. We have a $\ce{Si}$ sample and we want to replace one in every million atoms with a phosphorus ...
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 ...
3
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0answers
1k views

Comparison between Boron Nitride and Graphite: Interlayer distance

Boron-nitrogen chemistry has attracted significant attention, partly because a B–N unit is isoelectronic with C–C. Furthermore, the radius of carbon and its electronegativity are roughly the average ...
5
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0answers
1k views

Can a solid be both crystalline and amorphous? [closed]

The first line in the Wikipedia article for "Glass" reads: Glass is a non-crystalline amorphous solid that is often transparent and has widespread practical, technological, and decorative usage in, ...
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 ...
7
votes
1answer
821 views

How to predict the 31P NMR spectra?

What can I predict about the $\ce{^{31}P}$ spectra of $\ce{TiP2O7}$? To get the required information about the crystal structure of the compound Here is a screenshot from the ICSD ...
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
205 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(...
5
votes
2answers
8k views

What are some materials that expand a lot proportionally to heat?

There's never any source on the internet that can simply give me a list of materials that have the kinds of properties I'm looking for. I'm wondering what materials, like for a solid block of ...
1
vote
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?
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. ...
0
votes
0answers
230 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 ...
-1
votes
2answers
6k views

Cubic lattice: How corner atom of a cube is shared by 8 atoms? [closed]

Each atom is at the corner of a cube and 8 cubes meet at each corner. Therefore each atom is shared by 8 cubes. But I can't imagine it in space, so please tell how I visualize it.
1
vote
2answers
126 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
votes
1answer
229 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 ...
6
votes
2answers
484 views

What is the structure of N₅P₃?

What is the structure of the molecule $\ce{N5P3}$? $\ce{N5P3}$ is not documented online, so could anyone please comment on the structure of the molecule: How many ligands does each phosphorous atom ...
-2
votes
1answer
140 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
vote
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
votes
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 ...
1
vote
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 ...
3
votes
3answers
257 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
votes
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 ...
2
votes
0answers
160 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: ...
15
votes
2answers
45k views

How are the number of tetrahedral voids twice the number of octahedral voids in a CCP structure?

How are the number of tetrahedral voids twice the number of octahedral voids in a CCP structure? Is there some kind of mathematical proof for it? Is there some way I can understand this intuitively? ...
1
vote
1answer
426 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
vote
1answer
250 views

Why can't two Silicon tetraoxide tetrahedrons share an edge or a face?

Our teacher told us about structural types of silicate minerals (neosilicate, sorosilicate, cyclosilicates ...) saying that those tetrahedrons can only share one corner (oxygen), but he didn't give us ...
1
vote
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 ...