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小木虫论坛-学术科研互动平台 » 材料区 » 晶体 » 粉末晶体 » 四方相FeSe的密度文献
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weidenghu

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[求助] 四方相FeSe的密度文献

求：有关四方相FeSe密度的文献？文献中一定要给出来具体密度数值。非常感谢！！！
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1楼 2013-10-31 15:52:45
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xhtangxh

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感谢参与，应助指数 +1
两个来源：
1.
Card Information
Names:        Iron Selenide
Formula:        Fe Se
PDF Number:        65-9126
Quality:        calculated
Subfiles:        inorganic alloy NST

Cell and Symmetry Information
System:        tetragonal        Space Group:        P4/mmm   (no. 123)
a:        4.18        c:        4.73
Density (Dx):        5.416        Z:        2

Instrument Information
Radiation:        CuKa1        Wavelength:        1.54060         
Instrument(d):        calculated       
Instrument(I):        calculated        I type:        peak heights
I/Icor:        9.31

Comments and Additional Information
MC        A 29282  10306      0
Temperature factor:        TF  TF was not given, B set to 1.000 for calc.
Polymorphism:        The phase studied (CuAu structure type) is a high temperature form of FeSe. Annealing of the low temperature cubic FeSe phase resulted first in the formation of the hexagonal (Ni As type structure) and then - tetragonal (CuAu structure type) phase.
Preparation:        Thin films of Fe Se were prepared by interdiffusion technique.
TI        Studies of structure, electrical resistivity, and modulated structures in Fe Se and Ni Se alloys.

Literature References
General:         Calculated from NIST using POWD-12++            (    )
Structure:        Srivastava, M.M., Srivastava, O.N. Acta Crystallogr., Sec. A  31A   S82 (1975)

2.
Card Information
Names:        Iron Selenide
Formula:        Fe Se
PDF Number:        85-735
Quality:        calculated
Subfiles:        inorganic alloy COR FIZ

Cell and Symmetry Information
System:        tetragonal        Space Group:        P4/nmm   (no. 129)
a:        3.76500        c:        5.51800
Density (Dx):        5.723        Z:        2

Instrument Information
Radiation:        CuKa1        Wavelength:        1.54060         
Instrument(d):        calculated        Cut Off:        17.7       
Instrument(I):        calculated        I type:        peak heights
I/Icor:        6.11

Comments and Additional Information
ICSD Number:        026889
TT        No R value given.
TT        At least one TF missing.
TI        Roentgenuntersuchungen am System Eisen - Selen.
WY        c a (P4/NMMS)
AF        AX

Literature References
General:         Calculated from ICSD using POWD-12++            (1997)
Structure:        Haegg, G., Kindstroem, A.L. Z. Phys. Chem. (B)   22   453 (1933)
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2楼2013-11-01 11:06:19
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weidenghu

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nono2009: 违规存档, 论坛禁止邮箱求助，而且求助文献必须去文献求助版 2013-11-02 12:26:58
nono2009: 屏蔽内容 2013-11-02 12:27:21
本帖内容被屏蔽
3楼2013-11-01 14:09:59
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xhtangxh

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有木有虫
我没有Z. Phys. Chem. (B)   22   453 (1933)这么老旧的文献，Acta Crystallogr., Sec. A  31A   S82 (1975)也太老了，没有pdf版本的。你干嘛一定要找到文献呢？直接查物性参数手册上的数据引用不行吗？
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4楼2013-11-02 12:14:48
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weidenghu

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引用回帖:
4楼: Originally posted by xhtangxh at 2013-11-02 12:14:48
我没有Z. Phys. Chem. (B)   22   453 (1933)这么老旧的文献，Acta Crystallogr., Sec. A  31A   S82 (1975)也太老了，没有pdf版本的。你干嘛一定要找到文献呢？直接查物性参数手册上的数据引用不行吗？

能把六方相的数据也给我吗？非常非常感谢
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5楼2013-11-04 19:30:40
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xhtangxh

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有木有虫

【答案】应助回帖

Card Information
Names: Iron Selenide
Achavalite, syn [NR]
Formula: Fe Se
PDF Number: 26-795
Quality: indexed
Subfiles: inorganic mineral alloy
Cell and Symmetry Information
System: hexagonal Space Group: P63/mmc (no. 194)
a: 3.626 c: 5.940
Density (Dx): 6.530 Z: 2
Instrument Information
Radiation: FeKa Wavelength: 1.9373 Filter: Mn
Instrument(d): Debye-Scherrer
Instrument(I): visual estimate I type: unknown
Comments and Additional Information
Colour: Dark gray
General: Doubtful as mineral species.
Unit Cell: Reference reports: a=3.636, c=5.946.
Pattern: See ICSD 29308 (PDF 01-075-0608).
Literature References
General: Franz. Neues Jahrb. Mineral., Monatsh. 276 (1972)
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6楼2013-11-05 14:39:53
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xhtangxh

木虫 (著名写手)

有木有虫

【答案】应助回帖

1.
Card Information
Names:        Iron Selenide
Formula:        Fe Se
PDF Number:        65-9125
Quality:        calculated
Subfiles:        inorganic alloy NST
Cell and Symmetry Information
System:        hexagonal        Space Group:        P63/mmc  (no. 194)
a:        4.00        c:        5.88
Density (Dx):        5.494        Z:        2
Instrument Information
Radiation:        CuKa1        Wavelength:        1.54060         
Instrument(d):        calculated       
Instrument(I):        calculated        I type:        peak heights
I/Icor:        5.89
Comments and Additional Information
MC        A 29281  10305      0
Temperature factor:        TF  TF was not given, B set to 1.000 for calc.
Polymorphism:        The phase studied (NiAs type structure) was prepared by annealing of the cubic FeSe phase. Subsequent heating resulted in the formation of the tetragonal (CuAu structure type) phase.
Preparation:        Thin films of FE SE were prepared by interdiffusion technique.
TI        Studies of structure, electrical resistivity, and modulated structures in Fe Se and Ni Se alloys.
Literature References
General:         Calculated from NIST using POWD-12++            (    )
Structure:        Srivastava, M.M., Srivastava, O.N. Acta Crystallogr., Sec. A  31A   S82 (1975)

2.
Card Information
Names:        Iron Selenide
Formula:        Fe Se
PDF Number:        65-9126
Quality:        calculated
Subfiles:        inorganic alloy NST
Cell and Symmetry Information
System:        tetragonal        Space Group:        P4/mmm   (no. 123)
a:        4.18        c:        4.73
Density (Dx):        5.416        Z:        2
Instrument Information
Radiation:        CuKa1        Wavelength:        1.54060         
Instrument(d):        calculated       
Instrument(I):        calculated        I type:        peak heights
I/Icor:        9.31
Comments and Additional Information
MC        A 29282  10306      0
Temperature factor:        TF  TF was not given, B set to 1.000 for calc.
Polymorphism:        The phase studied (CuAu structure type) is a high temperature form of FeSe. Annealing of the low temperature cubic FeSe phase resulted first in the formation of the hexagonal (Ni As type structure) and then - tetragonal (CuAu structure type) phase.
Preparation:        Thin films of Fe Se were prepared by interdiffusion technique.
TI        Studies of structure, electrical resistivity, and modulated structures in Fe Se and Ni Se alloys.
Literature References
General:         Calculated from NIST using POWD-12++            (    )
Structure:        Srivastava, M.M., Srivastava, O.N. Acta Crystallogr., Sec. A  31A   S82 (1975)

3.
Card Information
Names:        Iron Selenide
        Achavalite, syn
Formula:        Fe Se
PDF Number:        65-9127
Quality:        calculated
Subfiles:        inorganic mineral alloy NST
Cell and Symmetry Information
System:        hexagonal        Space Group:        P63/mmc  (no. 194)
a:        3.632        c:        5.910
Density (Dx):        6.630        Z:        2
Instrument Information
Radiation:        CuKa1        Wavelength:        1.54060         
Instrument(d):        calculated       
Instrument(I):        calculated        I type:        peak heights
I/Icor:        5.74
Comments and Additional Information
MC        L 29297  45853      1
Temperature factor:        TF  TF was not given, B set to 1.000 for calc.
Preparation:        The samples were prepared by alloying appropriate amounts of the pure elements using iron sheet and selenium shots. The mixtures were evacuated at pressures of 0.01Pa, flushed with Ti-gettered argon, sealed in double quartz capsules and heated at 1270K f
TI        The Magnetic and Thermoelectric Properties of NiAs-type Fe0.89Se
RM        Sample composition is Fe0.89Se.
Literature References
General:         Calculated from NIST using POWD-12++            (    )
Structure:        Terzieff, P., Schicketanz, H., Komarek, K. L. Monatsh. Chem.  113   519 (1982)

4.
Card Information
Names:        Iron Selenide
        Achavalite, syn
Formula:        Fe Se
PDF Number:        65-9128
Quality:        calculated
Subfiles:        inorganic mineral alloy NST
Cell and Symmetry Information
System:        hexagonal        Space Group:        P63/mmc  (no. 194)
a:        3.618        c:        5.927
Density (Dx):        6.662        Z:        2
Instrument Information
Radiation:        CuKa1        Wavelength:        1.54060         
Instrument(d):        calculated       
Instrument(I):        calculated        I type:        peak heights
I/Icor:        5.73
Comments and Additional Information
MC        L 29306  50146      1
Temperature factor:        TF  TF was not given, B set to 1.000 for calc.
Polymorphism:        Tetragonal type, hexagonal type
TI        X-ray analysis of the system Fe_Se
RM        High-temperature phase. sample composition is Fe0.98Se1.02
Literature References
General:         Calculated from NIST using POWD-12++            (    )
Structure:        Hagg, G., Kindstrom, A. -L. Z. Phys. Chem. (B)  22B   453 (1933)
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7楼2013-11-05 14:45:45
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xhtangxh

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有木有虫

【答案】应助回帖

Card Information
Names:        Iron Selenide
        Achavalite, syn
Formula:        Fe Se
PDF Number:        75-608
Quality:        calculated
Subfiles:        inorganic mineral alloy COR FIZ
Cell and Symmetry Information
System:        hexagonal        Space Group:        P63/mmc  (no. 194)
a:        3.61        c:        5.87
Density (Dx):        6.756        Z:        2
Instrument Information
Radiation:        CuKa1        Wavelength:        1.54060         
Instrument(d):        calculated        Cut Off:        17.7       
Instrument(I):        calculated        I type:        peak heights
I/Icor:        5.74
Comments and Additional Information
ICSD Number:        029308
RM        REM      M PDF 26-795.
TT        No R value given.
TT        At least one TF missing.
Pattern:        See PDF 00-026-0795.
TI        Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen
OC        Cell from  J. Phys. Soc. Jpn., 11  666-670 (1956): 3.548, 5.733 (room temperature); 3.610, 5.928 (773 K).
WY        c a (P63/MMC)
AF        AX
Literature References
General:         Calculated from ICSD using POWD-12++            (1997)
Structure:        Alsen, N. Geol. Foeren. Stockholm Foerh.   47    19 (1925)
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8楼2013-11-05 14:46:50
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