Complex crystal structures Flashcards

1
Q

What is a Perovskite structure?

A

ABX3 - ccp of larger ions and small cations fill 1/4 of oct sites

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2
Q

What are the two kinds of Perovskite structures?

A

B type and A type

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3
Q

What is a B type Perovskite structure?

A

Primative: A on corners, B in the center and X in the faces

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4
Q

What is an A type Perovskite structure?

A

Primative: A in the center, B in the corners and X in the edges

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5
Q

When is Perovskite most common?

A

Oxygen and fluorine anions

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6
Q

What is the polyhedra of Perovskite?

A

Vertex linked octahedra

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7
Q

What structures do AX3 compounds form?

A

Non-close packed with A on corners and X on the edges

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8
Q

What is the polyhedra of AX3 compounds?

A

Vertex linked octahedra

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9
Q

What are Tungsten bases?

A

An intermediate between Perovskites and AX3. Can have varying Na atoms. High Na = metallic, low Na = semiconducting

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10
Q

How are AX structures formed?

A

Filling all of the octahedral holes or half of the tetrahedral holes

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11
Q

Describe NaCl

A

CCP with all octahedral holes filled, both have octahedral environments with coordination no of 6

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12
Q

Where do the atoms occupy in NaCl

A

Na in holes as anions are bigger

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13
Q

Describe NiAs

A

HCP with all octahedral holes filled

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14
Q

Where do the atoms occupy in NiAs

A

Ni in the holes

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15
Q

Describe Zinc Blende

A

CCP with half tetrahedral holes filled, both have tetrahedral environments with coordination no of 4

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16
Q

Where do the atoms occupy in Zinc Blende

A

Zn in the holes

17
Q

Describe Wurtzite

A

HCP with half tetrahedral holes filled, both have tetrahedral environments with coordination no of 4

18
Q

What are some examples of AX structures?

A

NaCl, NiAs, ZnS (zinc blende), ZnS (Wurtzite), CsCl

19
Q

What are some examples of AX2 structures?

A

CaF2, CdI2, CdCl2, TiO2

20
Q

Describe CaF2

A

FCC, anions in tetrahedral holes, edge sharing polyhedra

21
Q

Describe Na2O

A

Anti-fluorite structure, FCC, cations in tetrahedral holes, edge sharing polyhedra

22
Q

Describe CdCl2

A

FCC, cations fill half of octahedral holes with middle ones missing. Similar to NaCl