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.
239
questions
3
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1answer
54 views
Is there a “Comprehensive Solid State” book?
We have Comprehensive Coordination Chemistry, Comprehensive Organometallics, Comprehensive Organic Synthesis and probably few other similar works that aim to do a wide review of recent works at the ...
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0answers
22 views
How to determin the order of elution? [closed]
the following compounds are separated by liquid / solid chromatography on silica gel: CH3COOCH3, CH3CH2CH3, CH3CH2COOH.
determine the order of elution?
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0answers
23 views
Radius of octahedral void in fcc lattice
We know that, in fcc lattice
$$4(r + r_\mathrm{t}) = \sqrt{3}a,$$
where $r$, $r_\mathrm{o}$, and $r_\mathrm{t}$ represents radius of atom, octahedral void and tetrahedral void and along the body ...
0
votes
0answers
31 views
What type of solid is BeCl2? [closed]
My textbook says that $\ce{BeCl2}$ is a molecular solid.
However, the Wikipedia page states that $\ce{BeCl2}$ polymerizes in the solid state because $\ce{Be}$ is electron deficient. Does this mean ...
8
votes
2answers
436 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
votes
0answers
45 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 ...
3
votes
0answers
55 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
votes
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
vote
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
29 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 ...
0
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0answers
26 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
76 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 ...
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votes
2answers
37 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
vote
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
vote
1answer
3k 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
vote
0answers
231 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
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?
0
votes
0answers
320 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
vote
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
85 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
votes
2answers
257 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
vote
2answers
163 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
236 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 ...
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votes
1answer
166 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
215 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
165 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
votes
2answers
274 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
271 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
50 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
127 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
votes
0answers
198 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
vote
1answer
554 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
35 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
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 ...
1
vote
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
votes
1answer
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
votes
1answer
52 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
votes
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?
...
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votes
1answer
65 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
3k 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
588 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
2k 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
367 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
votes
1answer
698 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
votes
2answers
174 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
votes
2answers
78 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
votes
1answer
358 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 ...
