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huanhuan00

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[求助] 1molNaCl中有多少个NaCl的单胞 已有1人参与

1molNaCl中有多少个NaCl的单胞,如何求得的?
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xhtangxh

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huanhuan00: 金币+5 2013-12-22 14:08:55
这个要看你指定的单胞是哪一种晶相的啦。NaCl可以查到有两种晶相:
1.
Card Information
Names:        Sodium Chloride
        Halite, syn
Formula:        Na Cl
PDF Number:        5-628
Quality:        star
Subfiles:        inorganic mineral CP  EDU FOR NBS PHR

Cell and Symmetry Information
System:        cubic        Space Group:        Fm-3m    (no. 225)
a:        5.6402       
Density (Dm):        2.168        Density (Dx):        2.164        Z:        4

Instrument Information
Radiation:        CuKa1        Wavelength:        1.5405           Filter:        Ni
Instrument(d):        unknown       
Instrument(I):        diffractometer        I type:        unknown
I/Icor:        4.40

Comments and Additional Information
General:        An ACS reagent grade sample recrystallized twice from hydrochloric acid.
Temperature:        Pattern taken at 26 C.
Optical:        B=1.542
Colour:        Colorless
Melting Point:        804 degrees
Pattern:        See ICSD 18189 (PDF 01-072-1668).

Literature References
General:        Swanson, Fuyat. Natl. Bur. Stand. (U.S.), Circ. 539   II    41 (1953)
Optical:         Dana's System of Mineralogy, 7th Ed.   II     4 (    )


2.
Card Information
Names:        Sodium Chloride
        Sodium chloride - HP
Formula:        Na Cl
PDF Number:        89-2780
Quality:        calculated
Subfiles:        inorganic FIZ PHR

Cell and Symmetry Information
System:        cubic        Space Group:        Pm-3m    (no. 221)
a:        3.36000       
Density (Dx):        2.558        Z:        1

Instrument Information
Radiation:        CuKa1        Wavelength:        1.54060         
Instrument(d):        calculated        Cut Off:        17.7       
Instrument(I):        calculated        I type:        peak heights
I/Icor:        6.38

Comments and Additional Information
ICSD Number:        043434
RM        REM      PRE 17.6 kbar.
RM        REM      M After 20 h 8% was transformed from Fm3-m.
TT        No R value given.
TT        At least one TF missing.
TI        Polymorphic transitions in Na Cl
WY        b a (PM3-M)
AF        AX

Literature References
General:         Calculated from ICSD using POWD-12++            (    )
Structure:        Evdokimova, V.V., Verashchagin, L.F. Fiz. Tverd. Tela (Leningrad)    4  1965 (1962)

正常情况下NaCl是以第1种晶相存在的,每个单胞含4个NaCl,1mol NaCl理论上含6.022e+23个NaCl,有多少个单胞就不用我算了吧。如果是以第2种晶相(高压相)存在,每个单胞则只含1个NaCl.

最近还发现氯化钠在高压冲击条件下可形成Na3Cl和NaCl3:
http://www.sciencemag.org/content/342/6165/1459.full
http://www.sciencemag.org/content/342/6165/1502.full
2楼2013-12-22 11:32:02
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huanhuan00

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引用回帖:
2楼: Originally posted by xhtangxh at 2013-12-22 11:32:02
这个要看你指定的单胞是哪一种晶相的啦。NaCl可以查到有两种晶相:
1.
Card Information
Names:        Sodium Chloride
        Halite, syn
Formula:        Na Cl
PDF Number:        5-628
Quality:        star
Subfiles:        inorganic miner ...

平均下来每个单胞含1/2个NaCl
3楼2013-12-22 14:08:32
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