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晶体化学的基础知识 PowerPoint PPT Presentation


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晶体化学的基础知识. 江苏葛柏萍. 第三节 晶体结构的密堆积原理. 1619 年,开普勒模型(开普勒从雪花的六边形结构出发提出:固体是由球密堆积成的) 开普勒对固体结构的推测 冰的结构. 密堆积的定义. 密堆积: 由无方向性的金属键、离子键和范德华力等结合的晶体中,原子、离子或分子等微观粒子总是趋向于相互配位数高,能充分利用空间的堆积密度最大的那些结构。 密堆积方式因充分利用了空间,而使体系的势能尽可能降低,而结构稳定。. 常见的密堆积类型. 常见密堆积型式.

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晶体化学的基础知识

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  • 1619



A1

A3

A2



1.(A1)(A3)


  • 1;

  • 6,6,6;

  • 3;

  • N2N, =12



1.

2.46


  • 1.ABABA3


  • 2.ABCABCA1


A3


A3


A


A1


A1

  • ABCABC3


A3

  • ABABAB


A1A3

AB A3

ABCA1


A1A3

  • 12

  • ()74.05%

  • NR2N0.225RN0.414R


  • A1A3

    A144Cu.

    A3CMg.


  • = 100%


A3


A3

a=2r


A1


2.A2

  • A2a861468.02%.

  • 8

  • 6


A2


3. A4

  • 4

    34.01%

    SiGeSn

    a

    8


4.

Z

(A1) 74.05% 12 4

(A3) 74.05% 12 2

(A2) 68.02% 8(14) 2

(A4) 34.01% 4 8



1.

  • 6


1NaCl

1

2Na+Cl- 6 3Z=4

4 Na+C1-

5Cl- Na+111|AcBaCb|ABCCl- abcNa+ Na+Cl-


NaCl


(NaCl, KBr, RbI, MgO, CaO, AgCl)


ZnS

ZnSS2-Zn2+ZnSZnS


ZnS

1Z=4

2S2-|AaBbCc|

3ZnS1/4 4S0 0 01/2 1/2 01/2 0 1/20 1/2 1/2

4Zn:1/4 1/4 1/4,3/4 3/4 1/4,3/4 1/4 3/4,1/4 3/4 3/4


ZnS


ZnS

1

2Z=2

3S2-|AaBb|

444

62s0 0 02/3 1/3 1/22Zn0 0 5/82/3 1/3 1/8


ZnS


CaF2

1

2Z=4

384

4Ca2+F-

5Ca2+F-


6Ca2+F-Ca2+1/43/44Ca2+0 0 01/2 1/2 01/2 0 1/20 1/2 1/28F-1/4 1/4 1/43/4 3/4 1/43/4 1/4 3/41/4

3/4 3/43/4 3/ 4 3/41/4 1/4 3/41/4 3/4

1/43/4 1/4 1/4


CaF2

CaF2


CsCl:

1

2Z=1

3Cs+Cl-

488

5 Cs+Cl-1/2Cl-:0 0 0Cs+:1/2 1/2 1/2


(CsCl, CsBr, CsI, NH4Cl)


TiO2

1

2Z=2

3O2-Ti4+ O2-3Ti4+

463


TiO2


2.


  • 100180


3.

  • SiGeSn C3N4SiCSiO2


4.

  • A1A2A3SnGeMnA4


ABABAB, 12. Mg and Zn


ABCABC, 12 : Al, Cu, Ag, Au


(gold, Au)


e.g., Fe, Na, K, U


Po





1

1990A. Y. LiuM. L. CohenC3N4C3N4


C3N4C3N4C3N412


1 C3N4a-b

2 C3N4


1C3N4CN

21C3N4


3C3N42a=0.64nm, c=0.24nm,

4C3N43.51g.cm-3


  • 1

  • 1C3N4Csp3Nsp21C4N1N3C


2

6C8N


32C3N46C8N

C3N4C3N4


4C3N41C3N4Csp3Nsp2CN2CN3C3N4


2

339K 5lC



  • 5l


  • [1] MgB2

  • [2]


3

  • ()(ccp)1 : 3

  • 61

  • 62


  • 615

    1 : 1, 1 : 324


62 1

MgCNi3


4

C60C60C60C60a1420pmC60KC60KC60C60C60C170pmK133pm


1C60KKC60pm

2C60K

3C60


C60C60KKC60NaClC60


1KC60 710pm2C60C60


C60

K133pmC60

3rC60502pmC60

5021702162pm


5

111


CHCl3

CHCl3


6

H2SiF6: H2SiF6(l) SiF4(g) + 2HF(g)


a=926.3pm, c=1789.8pm, 1.66g.cm-3; [(NH2)2CO]2H+SiF62-[(NH2)2CO]2H+


1[(NH2)2CO]2H+

2

3


1

21H+2OHO


2

4{[(NH2)2CO]2H}2SiF68[(NH2)2CO]2H+


321H+[(NH2)2CO]2H+2OOHOH2SiF6(l) SiF4(g) + 2HF(g)


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