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Mng li tinh th (cu trc tinh th) l mng li khng gian ba chiu trong cc nt mng l cc n v cu trc (nguyn t , ion, phn t ...).

Cc loi cu trc tinh th

* Tinh th kim loi

* Tinh th ion
* Tinh th nguyn t (tinh th cng ho tr) * Tinh th phn t

 c s (t bo c bn)

* L mng tinh th nh nht m bng cch tnh tin n theo hng ca ba trc tinh th ta c th thu c ton b tinh th

* Mi c s c c trng bi: Hng s mng: a, b, c, , , n v cu trc : n S S phi tr c kht

1.Mng tinh th kim loi:

* Nguyn t kim loi c coi nh nhng qu cu cng, c kch thc nh nhau, c xp cht kht vo nhau thnh tng lp.
Kim loi kt tinh ch yu theo ba kiu mng tinh th: Mng lp phng tm din (lptd) Mng lc phng cht kht (lpck)

Mng lp phng tm khi (lptk)

1.1. S sp xp cc nguyn t kim loi

Hc t din
B

Hc bt din

C B
C

A
A

L p ph- ng t m m t
A B A B A Lc ph- ng ch t kh t

B A
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Hnh phi tr ca cc mng tinh th kim loi

C B

B A Lc ph- ng ch t kh t

A L p ph- ng t m khi L p ph- ng t m m t

Hc t din v hc bt din

Hc t di n

Hc b t di n
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Xc nh cc hc t din v bt din trong mng lp phng tm mt (lptm)

O T O L p ph- ng t m m t

S hc t din : 8 hc
S hc bt din : 1 + 12.1/4 = 4 hc
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Xc nh cc hc t din v bt din trong mng lc phng cht kht (lpck)

T T

Lc ph- ng ch t kh t

S hc t din : 4 S hc bt din : 2
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Tnh c kht ca tinh th lp phng tm kh

a 2 a 3 = 4r

S qu cu trong mt c s: 1+8.1/8 = 2
Tng th tch cc qu cu = 68 % Th tch ca mt c s

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Tnh c kht ca mng lp phng tm m

a a a 2 = 4.r
S qu cu trong mt c s: 6.1/2 + 8.1/8 = 4 Tng th tch cc qu cu = 74 % Th tch ca mt c s
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Tnh c kht ca mng lc phng cht kht

a b 2a 6 3 a c s a 6 3 a 3 2 a = 2.r

a a

S qu cu trong mt c s: 4.1/6 + 4.1/12 + 1 = Tng th tch cc qu cu = 74 % 13 Th tch ca mt c s

Bng tng qut cc c im ca cc mng tinh th kim loi

C u tr c Hng s S v S S S c m ng c u tr c (n) phi tr hc T hc O kht (%) 2 4 8 12 8 4 68 74 Kim lo i Kim lo i ki m, Ba, Fe, V, Cr... Au, Ag, Cu, Ni, Pb, Pd, Pt, ... Be, Mg, Zn, Tl, Ti, ...

L p phng t m ===90o khi (lptk) a=b=c L p phng t m ===90o din (lptd) a=b=c Lc phng ch t kht (lpck) ==90o =120o a=bc

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74

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1.2.Lin kt kim loi

Thuyt kh electron

Thuyt vng

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Thuyt kh electron

Tinh th kim loi gm: * Cc cation kim loi nm cc nt mng. * Cc electron ho tr chuyn ng t do trong ton tinh t * Lc lin kt kim loi cng mnh khi s electron ho tr chuyn thnh electron t do cng ln

Thuyt kh electron gii thch cc rnh cht vt l ca kim lo Do cc electron lin kt kim loi chuyn ng t do nn

* Khi cc lp trt ln nhau th khng xut hin lc y b xung. Tinh th kim loi ch bin dng m khng b ph v * Cc electron ny c th chuyn ng thnh dng khi mt hiu in th vo hai u kim loi * Cc electron ny c kh nng truyn dao ng nhit t n ny n ni khc trong mng tinh th

* Cc electron ny phn x tt nh sng chiu n nn kim 16 loi c nh kim

Thuyt vng
(thuyt MO p dng cho h nhiu nguyn t)

* N AO c mc nng lng gn nhau t hp thnh N MO c mc nng lng khc nhau. N cng ln th cc mc nng lng cng gn nhau v to thnh vng nng lng

* Cc AO ho tr s, p, d ca kim loi c nng lng khc nhau s to ra nhng vng nng lng khc nhau. Cc vng ny c th xen ph hoc cch nhau mt vng khng c MO gi l vng cm.

* Cc e chim cc MO c nng lng t thp n cao, mi MO c ti hai e. Vng gm cc MO bo ho e gi l vng ho tr. Vng MO k b chim hon ton trong e c kh nng chuyn ng t do l * Cc e trong vng ho tr khng c kh nng dn in.

* Cc e trong vng dn c th dn in khi c nng lng ln thn 17 c lc ht ca cc cation kim loi

S hnh thnh cc vng nng lng trong tinh th kim loi Li v Mg

2s

Vng dn

3p

Vng dn Vng ho tr Vng cm

Vng xen ph 3s

Vng cm Vng ho 1s tr 2s 1s E Li Li 2 Li 3 Li 8 Li N E Mg Mg N 2p

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V ng d n. nhi u electron c m t (khng c v ng c m) V ng ho tr E Kim lo i c v ng d n v v ng ho trxen ph nhau

E

V ng d n V ng c m rng V ng ho tr Ch t c ch i n c v ng c m rng ( E > 3 eV)

V ng d n i n y mt na V ng c m V ng ho tr E Kim lo i c v ng d n i n y mt na

V ng d n V ng c m h p V ng ho tr E Ch t b n d n c v ng c m h p ( E < 3 eV)
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2.Tinh th ion

* Tinh th hp cht ion c to thnh bi nhng cation v anion h cu c bn knh xc nh * Lc lin kt gia cc ion l lc ht tnh in khng nh hng

* Hp cht ion c hnh thnh t nhng nguyn t c hiu m in ln. Nhng e ho tr ca nhng nguyn t c m in n c coi nh chuyn hon ton sang cc obitan ca nguyn t c m in ln to ra cc ion tri du ht nhau.

* Cc anion thng c bn knh ln hn cation nn trong tinh th ngi ta coi anion nh nhng qu cu xp kht nhau theo kiu lptm lpck, hoc lp phng n gin. Cc cation c kch thc nh hn cc hc t din hoc bt din.
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Tinh th hp cht ion dng MX

iu kin bn ca cu trc:
r 0.22 < rM < 0.41 ki u phi trt di n (s phi trcua M l 4) : m ng X sphalerit v vuarit ca ZnS. r 0.41 < rM < 0.73 ki u phi trb t di n (s phi trcua M l 6) : m ng X NaCl, NiAs. r 0.73 < rM < 1 ki u phi trl p ph- ng (s phi trca M l 8): . . X m ng CsCl.

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Tinh th NaCl

Na Cl

* Cc ion Cl - xp theo kiu lp phng tm mt, cc cation Na+ nh hn chim ht s hc bt din. Tinh th NaCl gm hai mng lp phng tm mt lng vo nhau. S phi tr ca Na+ v Cl- u b * S ion Cl- trong mt c s: 8.1/8 + 6.1/2 = 4 * S ion Na+ trong mt c s: 12.1/4 + 1.1 = 4

* S phn t NaCl trong mt c s l 4

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Mng tinh th NiAs

Cc ion As3- sp xp theo ki lc phng cht kht. Cc ion Ni3+ chim ht s hc bt di S phi tr ca Ni v As u bng 6

Ni As
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Tinh th CsCl

Cs Cl

Tinh th CsCl gm hai mng lp phng n gin lng vo nhau S phi tr ca Cs v Cl u bng 8

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Tinh th vuarit
A

A' B B' A

Cc ion S2- sp xp theo kiu lc phng, cc ion Zn2+ chim mt na s hc t din. Mng vuarit bao gm hai mng lc phng cht kht lng vo nha

Cng kiu mng vuarit c cc cht AlN, ZnO, BeO, GaN, InN SiC, HgS, CdS

S Zn Vuarit ZnS
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Mng sphalerit

S2- sp xp theo kiu lp phng tm mt, cc ion Zn2+ chim mt na s hc t din

S phi tr ca S v Zn u bng

S Zn Sphalerit ZnS

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