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[求助] 三氧化二铁α、β、γ、σ这4种形式，每一种的XRD卡片号码

第一个和第三个已经找到了还差两个，拜求大神了

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1楼2013-09-18 19:38:34

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大毛毛虫: 金币+2 2013-09-19 14:17:54

α-三氧化二铁：

Card Information
Names: Iron Oxide
Hematite, syn
burnt ochre
colcothar
rouge
Formula: Fe2 O3
PDF Number: 33-664
Quality: star
Subfiles: inorganic mineral alloy COR CP  EDU FOR NBS

Cell and Symmetry Information
System: rhombohedral Space Group: R-3c    (no. 167)
a: 5.0356 c: 13.7489
Density (Dm): 5.260 Density (Dx): 5.270 Z: 6

Instrument Information
Radiation: CuKa1 Wavelength: 1.540598
Instrument(d): diffractometer Standard: Ag
Instrument(I): diffractometer I type: unknown
I/Icor: 2.4

Comments and Additional Information
Optical: A=2.94, B=3.22, Sign=-
General: Pattern reviewed by Syvinski, W., McCarthy, G., North Dakota State Univ., Fargo, North Dakota, USA,  ICDD Grant-in-Aid  (1990). Agress well with experimental and calculated patterns.
Melting Point: 1350-1360 degrees
Colour: Dark reddish brown
Source: Sample from Pfizer, Inc., New York, USA, heated at 800 C for 3 days.
General: Additional weak reflection [indicated by brackets] was observed.
CN Also called: crocus mantis.
Pattern: To replace 00-013-0534 and validated by calculated pattern 00-024-0072.
CN Also called: venetian red.
General: Opaque mineral optical data on specimen from Elba, R#1R#0=30.2, RR#2R#e=26.1, Disp.=16, VHN=1038 (mean at 100, 200, 300), Color values=1  .299, .309, 29.8, 2  .299, .309, 25.7.
CN Also called: ferrite.
CN Also called: indian red.
CN Also called: crocus.
Pattern: See ICSD 64599 (PDF 01-079-0007).

Literature References
General:    Natl. Bur. Stand. (U.S.) Monogr. 25 18 37 (1981)
Optical:    Dana's System of Mineralogy, 7th Ed. I 529 (1944)
RL    IMA Commission on Ore Microscopy QDF          ( )

Peak Data
PeakList
   h    k    l    d    I
   0    1    2 3.6840    30
   1    0    4 2.7000    100
   1    1    0 2.5190    70
   0    0    6 2.2920    3
   1    1    3 2.2070    20
   2    0    2 2.0779    3
   0    2    4 1.8406    40
   1    1    6 1.6941    45
   2    1    1 1.6367    1
   1    2    2 1.6033    5
   0    1    8 1.5992    10
   2    1    4 1.4859    30
   3    0    0 1.4538    30
   1    2    5 1.4138    1
   2    0    8 1.3497    3
   1    0 10 1.3115    10
   1    1    9 1.3064    6
   2    2    0 1.2592    8
   3    0    6 1.2276    4
   2    2    3 1.2141    2
   1    2    8 1.1896    5
   0    2 10 1.1632    5
   1    3    4 1.1411    7
   2    2    6 1.1035    7
   0    4    2 1.0768    2
   2    1 10 1.0557    7
   1    1 12 1.0428    1
   4    0    4 1.0393    3
   3    1    8 0.9892    4
   2    2    9 0.9715    1
   3    2    4 0.9606    5
   0    1 14 0.9581    4
   4    1    0 0.9516    5
   4    1    3 0.9318    2
   0    4    8 0.9206    2
   1    3 10 0.9081    5
   3    0 12 0.8998    1
   2    0 14 0.8954    3
   4    1    6 0.8789    6
   2    3    8 0.8648    1
   4    0 10 0.8543    3
   1    2 14 0.8436    5
   3    3    0 0.8392    3
   3    2 10 0.8089    4
   2    4    4 0.8014    4

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2楼2013-09-19 08:57:54

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大毛毛虫: 金币+2 2013-09-19 14:18:11
大毛毛虫: 金币+2 2013-09-22 08:36:53

β-三氧化二铁(三种)：

第一种：
Card Information
Names: beta-Iron Oxide
Formula: Fe2 O3
PDF Number: 39-238
Quality: indexed
Subfiles: inorganic alloy COR PHR

Cell and Symmetry Information
System: cubic Space Group: Ia-3    (no. 206)
a: 9.404
Z: 16

Instrument Information
Radiation: CuKa Wavelength: 1.5418    Filter: Graph
Instrument(d): diffractometer Standard: Si
Instrument(I): diffractometer I type: unknown

Comments and Additional Information
Preparation: 3 Na Fe ( S O4 )2 = Na3 Fe ( S O4 )3 + beta-Fe2 O3 + 3 S O3\.
General: Cell parameter generated by least squares refinement.
Unit Cell: Reference reports: a=9.398(1).
Pattern: To replace 00-032-0469.

Literature References
General: Ikeda, Y., Takana, M., Bando, Y. Bull. Inst. Chem. Res., Kyoto Univ. 64 249 (1986)

Peak Data
PeakList
   h    k    l    d    I
   2    0    0 4.7000    1
   2    1    1 3.8380    15
   2    2    2 2.7140    100
   3    2    1 2.5130    1
   4    0    0 2.3500    16
   4    1    1 2.2160    5
   4    2    0 2.1020    1
   3    3    2 2.0050    10
   4    2    2 1.9190    1
   4    3    1 1.8440    9
   5    2    1 1.7170    4
   4    4    0 1.6620    40
   4    3    3 1.6120    2
   6    0    0 1.5670    1
   6    1    1 1.5250    5
   6    2    0 1.4870    1
   5    4    1 1.4510    4
   6    2    2 1.4170    19
   6    3    1 1.3870    5
   4    4    4 1.3570    3
   5    4    3 1.3300    1
   6    4    0 1.3040    1
   7    2    1 1.2800    3
   6    4    2 1.2570    1
   6    5    1 1.1940    1
   8    0    0 1.1760    3
   8    1    1 1.1580    2
   8    2    0 1.1410    1
   6    5    3 1.1240    1
   6    6    0 1.1080    1
   8    3    1 1.0930    2
   6    6    2 1.0790    4
   8    4    0 1.0510    2
   8    3    3 1.0380    1
   8    4    2 1.0260    1
   9    2    1 1.0140    1
   6    6    4 1.0020    1
   8    5    1 0.9910    1
   9    3    2 0.9700    1
   8    4    4 0.9590    3
   9    4    1 0.9500    1
   8    6    0 0.9400    1
   7    7    2 0.9310    1
   8    6    2 0.9220    2
   9    4    3 0.9130    1
   6    6    6 0.9050    2
   9    5    2 0.8960    2

第二种：
Card Information
Names: beta-Iron Oxide
Formula: Fe2 O3
PDF Number: 40-1139
Quality: indexed
Subfiles: inorganic alloy COR PHR

Cell and Symmetry Information
System: hexagonal Space Group: P       (no. 0)
a: 5.92 c: 35.69
Z: 30

Instrument Information
Radiation:          Wavelength:
Instrument(d): unknown
Instrument(I): unknown I type: unknown

Literature References
General: Novosadova, E., Belous, A., Pashkova, E.,Antishko, A. Ukr. Khim. Zh. (Russ. Ed.) 52 704 (1986)

Peak Data
PeakList
   h    k    l    d    I
   0    0    3 11.890    60
   0    0    6 5.9400    40
   1    0    2 4.9240    8
   1    0    4 4.4430    10
   1    0    5 4.1620    5
   0    1    7 3.6140    15
   0    0 12 2.9742    60
   1    1    0 2.9580    40
   1    1    3 2.8706    100
   1    0 11 2.7411    40
   1    1    6 2.6485    100
   2    0    1 2.5551    30
   2    0    4 2.4622    40
   0    0 15 2.3740    43
   1    1    9 2.3740    43
   2    0    7 2.2890    20
   1    0 14 2.2890    20
   2    0 10 2.0711    22
   2    0 13 1.8730    5
   1    1 15 1.8540    5
   1    2    7 1.8103    5
   3    0    0 1.7078    20
   2    0 16 1.6822    18
   2    1 11 1.6628    15
   3    0    6 1.6414    20
   0    2 17 1.6238    5
   3    0    9 1.5685    8
   0    0 24 1.4871    15
   2    2    0 1.4790    50
   2    2    3 1.4677    17
   2    2    6 1.4353    5

第三种：
Card Information
Names: beta-Iron Oxide
Iron(III) oxide - $-beta
Formula: Fe2 O3
PDF Number: 76-1821
Quality: calculated
Subfiles: inorganic alloy COR FIZ PHR

Cell and Symmetry Information
System: hexagonal Space Group: P3    (no. 143)
a: 5.56000 c: 22.55000
Density (Dx): 2.635 Z: 6

Instrument Information
Radiation: CuKa1 Wavelength: 1.54060
Instrument(d): calculated Cut Off: 17.7
Instrument(I): calculated I type: peak heights
I/Icor: 2.08

Comments and Additional Information
ICSD Number: 036281
TT At least one TF missing.
TT No R value given.
TI An electron diffraction study of the transformation Fe2 O3-beta to Fe2 O3-gamma
WY d8 c b a4 (P3)
AF A2X3

Literature References
General:    Calculated from ICSD using POWD-12++          (1997)
Structure: Finch, G.I., Sinha, K.P. Proc. R. Soc. London, Ser. A  241    1 (1957)

Peak Data
PeakList
   h    k    l    d    I
   0    0    1 22.550    999
   0    0    2 11.275    690
   0    0    3 7.5167    1
   0    0    4 5.6375    130
   1    0    0 4.8151    256
   1    0    1 4.7090    82
   0    0    5 4.5100    26
   0    1    2 4.4282    203
   0    1    3 4.0545    105
   0    0    6 3.7583    194
   1    0    4 3.6614    118
   0    1    5 3.2916    29
   0    0    7 3.2214    9
   1    0    6 2.9627    123
   0    0    8 2.8187    19
   1    1 -1 2.7591    327
   1    1 -2 2.6992    365
   1    0    7 2.6775    26
   1    1    3 2.6074    445
   1    1 -4 2.4933    283
   0    1    8 2.4326    34
   2    0    0 2.4076    33
   0    2    1 2.3939    14
   1    1 -5 2.3665    199
   2    0    2 2.3545    44
   2    0    3 2.2928    18
   0    0 10 2.2550    10
   1    1 -6 2.2350    168
   0    1    9 2.2227    26
   0    2    4 2.2141    28
   2    0    5 2.1239    8
   1    1 -7 2.1047    130
   0    0 11 2.0500    3
   1    0 10 2.0422    18
   0    2    6 2.0273    34
   1    1 -8 1.9793    123
   0    2    7 1.9285    5
   0    0 12 1.8792    134
   1    1 -9 1.8612    122
   2    0    8 1.8307    12
   1    2    0 1.8199    23
   2    1    1 1.8140    17
   2    1 -2 1.7967    21
   1    2    3 1.7688    14
   1    1 10 1.7513    91
   1    0 12 1.7513    91
   2    0    9 1.7360    9
   0    0 13 1.7360    9
   1    2 -4 1.7319    22
   2    1 -5 1.6877    5
   1    1 -11 1.6499    50
   0    2 10 1.6458    34
   2    1 -6 1.6380    30
   3    0    0 1.6050    199
   3    0    1 1.6010    111
   3    0    2 1.5890    14
   1    2 -7 1.5846    11
   2    0 11 1.5608    2
   1    1 -12 1.5568    2
   0    3    4 1.5437    11
   1    2    8 1.5289    12
   0    1 14 1.5289    12
   0    3    5 1.5121    3
   0    2 12 1.4813    11
   3    0    6 1.4761    61
   1    1 -13 1.4716    57
   3    0    7 1.4366    3
   0    1 15 1.4350    3
   1    2 -10 1.4162    7
   0    0 16 1.4094    2
   0    2 13 1.4074    2
   1    1 -14 1.3937    30
   2    2    0 1.3900    18
   2    2    1 1.3874    24
   2    2 -2 1.3796    26
   2    2 -3 1.3668    28
   2    1 -11 1.3610    4
   1    0 16 1.3526    4
   2    2 -4 1.3496    25
   2    0 14 1.3387    3
   3    1    0 1.3355    8
   3    1 -1 1.3331    5
   2    2 -5 1.3283    19
   1    1 -15 1.3224    27
   1    3 -3 1.3149    4
   1    2 -12 1.3073    15
   2    2    6 1.3037    20
   1    3    4 1.2995    10
   1    3 -5 1.2805    2
   2    2    7 1.2763    16
   3    0 11 1.2638    2
   1    1 -16 1.2571    19
   1    2 -13 1.2556    8
   2    2 -8 1.2467    16
   3    1 -7 1.2337    2
   0    3 12 1.2205    104
   2    2 -9 1.2155    21
   1    0 18 1.2124    13
   3    1    8 1.2069    6
   2    1 -14 1.2069    6
   4    0    0 1.2038    5
   1    1 17 1.1972    13
   0    4    2 1.1972    13
   0    4    3 1.1886    1
   2    2 -10 1.1833    13
   1    3 -9 1.1785    4
   0    3 13 1.1785    4
   0    4    5 1.1631    1
   2    0 17 1.1618    1
   1    2 -15 1.1590    2
   2    2 -11 1.1505    9
   3    1 -10 1.1491    4
   4    0    6 1.1464    5
   1    1 -18 1.1422    8

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3楼2013-09-19 09:06:17

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CMEI: 6
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大毛毛虫: 金币+2 2013-09-19 14:18:22

γ-三氧化二铁：

Card Information
Names: Iron Oxide
Maghemite- C , syn
Formula: Fe2 O3
PDF Number: 39-1346
Quality: star
Subfiles: inorganic mineral alloy COR FOR PHR

Cell and Symmetry Information
System: cubic Space Group: P4132 (no. 213)
a: 8.3515
Density (Dm): 4.900 Density (Dx): 4.860 Z: 10.667

Instrument Information
Radiation: CuKa Wavelength: 1.54178    Filter: Graph
Instrument(d): diffractometer Cut Off: 15.0 Standard: Si
Instrument(I): diffractometer I type: peak heights
I/Icor: 1.4

Comments and Additional Information
Colour: Light brown
Source: Sample from Control Data as used in hard disks.
Optical: B=2.74
General: Optical data on specimen from Iron Mountain, Shasta County, California, USA.
Preparation: Space group dependent upon preparation (Bernal et al.).
Pattern: To replace 00-004-0755 and 00-024-0081.
General: Pattern reviewed by Syvinski, W., McCarthy, G., North Dakota State University, Fargo, North Dakota, USA,  ICDD Grant-in-Aid (1990).  Agrees well with experimental pattern.  Additional weak reflections [indicated by brackets] were observed.

Literature References
General: Schulz, D., McCarthy, G., North Dakota StateUniversity, Fargo, North Dakota, USA. ICDD Grant-in-Aid          (1987)
Preparation: Bernal, J., Dasgupta, D., Mackay, A. Nature (London)  180 645 (1957)
Optical: Deer, W., Howie, R., Zussman, J. Rock Forming Minerals 5 73 (1961)
Unit Cell: Lindsley, D. Min. Soc. of America, Short Course Notes (Wash., D.C.) 3  L-18 (1976)

Peak Data
PeakList
   h    k    l    d    I
   1    1    0 5.9180    5
   1    1    1 4.8220    4
   2    1    0 3.7400    5
   2    1    1 3.4110    5
   2    2    0 2.9530    35
   2    2    1 2.7840    2
   3    1    0 2.6435    2
   3    1    1 2.5177    100
   2    2    2 2.4119    3
   3    2    0 2.3163    1
   3    2    1 2.2320    1
   4    0    0 2.0886    16
   4    1    0 2.0255    1
   3    3    0 1.9685    1
   4    2    1 1.8224    2
   4    2    2 1.7045    10
   4    3    0 1.6703    1
   5    1    0 1.6379    1
   5    1    1 1.6073    24
   5    2    0 1.5507    1
   5    2    1 1.5248    2
   4    4    0 1.4758    34
   4    4    1 1.4537    1
   5    3    0 1.4322    1
   4    4    2 1.3919    1
   6    1    0 1.3730    1
   6    1    1 1.3547    1
   6    2    0 1.3204    3
   5    4    0 1.3042    1
   5    3    3 1.2730    5
   6    2    2 1.2590    2
   6    3    0 1.2450    1
   6    3    1 1.2314    1
   4    4    4 1.2053    1
   6    3    2 1.1931    1
   7    1    0 1.1810    1
   7    2    1 1.1365    1
   6    4    2 1.1159    2
   7    3    0 1.0966    1
   7    3    1 1.0872    7
   8    0    0 1.0439    3

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4楼2013-09-19 09:12:14

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xhtangxh

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CMEI: 6
应助: 773 (博后)
金币: 17832.4
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在线: 599.3小时
虫号: 428580
注册: 2007-08-04
专业: 催化化学

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大毛毛虫: 金币+2 2013-09-19 14:18:30

没见过三氧化二铁有σ这种形式，是delta错当σ了吧？不过delta和zeta这两种形式的卡片已被剔除了。

Card Information
Names: delta-Iron Oxide
Formula: Fe2 O3
PDF Number: 2-1165
Quality: questionable
Subfiles: inorganic alloy PHR

Cell and Symmetry Information
System: hexagonal Space Group: (no. 0)
a: 5.10 c: 4.42
Density (Dm): 4.700 Z: 2

Instrument Information
Radiation: FeKa Wavelength: 1.937
Instrument(d): unknown
Instrument(I): unknown I type: unknown

Comments and Additional Information
Deleted by: Delete: Weissmann parcel March 2, 1962, for Set 14.

Literature References
General: Glemser, Gwinner. Z. Anorg. Chem.  240 163 (1939)

Peak Data
PeakList
   h    k    l    d    I
   1    1    0 2.5300    80
   2    0    0 2.1900    100
   -    -    - 1.6900    100
   0    0    3 1.4800    80
   -    -    - 1.2700    10
   -    -    - 1.2300    10
   -    -    - 1.1100    10

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5楼2013-09-19 09:23:14

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CMEI: 6
应助: 773 (博后)
金币: 17832.4
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在线: 599.3小时
虫号: 428580
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专业: 催化化学

三氧化二铁还有epsilon等多种形式：

epsilon-Fe2O3：
Card Information
Names: epsilon-Iron Oxide
Formula: Fe2 O3
PDF Number: 16-653
Quality: indexed
Subfiles: inorganic alloy COR FOR PHR

Cell and Symmetry Information
System: monoclinic Space Group: P       (no. 0)
a: 12.97 b: 10.21 c: 8.44
b: 95.33
Density (Dm): 4.780 Z: 20

Instrument Information
Radiation: CoKa1 Wavelength: 1.7889    Filter: Fe
Instrument(d): unknown
Instrument(I): unknown I type: unknown

Comments and Additional Information
Colour: Dark brown
Preparation: Isolated from product formed by an iron oxide aerosol in the D.C. arc.
General: Transforms to alpha-Fe2 O3 above 500 C.
Lines: Plus 11 additional reflections to 1.056.
Pattern: To replace 00-016-0895.

Literature References
General: Schrader, Buttner. Z. Anorg. Allg. Chem.  320 220 (1963)

Peak Data
PeakList
   h    k    l    d    I
   2    0    0 6.4700    4
-2    1    1 4.7600    2
   2    2    0 4.0100    2
   2    0    2 3.3400    6
   0    2    2 3.2400    20
   0    3    1 3.1500    4
-4    1    1 2.9810    35
   0    0    3 2.8040    1
   4    2    0 2.7280    100
-2    1    3 2.5730    8
   0    4    0 2.5480    20
   0    2    3 2.4580    30
   2    4    0 2.3720    4
-4    3    1 2.2950    6
-5    1    2 2.2430    20
   5    2    1 2.1760    14
   1    5    0 2.0180    4
   6    1    1 1.9970    20
   6    2    0 1.9830    20
-4    4    1 1.9730    12
-6    2    2 1.8550    12
-6    3    1 1.8070    2
   7    2    0 1.7350    25
   3    5    2 1.6660    25
-6    0    4 1.5800    10
-1    6    2 1.5730    10
   5    0    4 1.5620    10
-7    2    3 1.5370    12
   2    6    2 1.5200    35
   3    1    5 1.5010    5
   5    5    2 1.4690    30
-8    3    2 1.4160    10
-2    7    1 1.4080    2
-9    2    1 1.3830    80
   2    7    2 1.3390    4
-7    5    2 1.3290    2
   7    1    4 1.3150    6
   0    3    6 1.2950    4
-10    0    2 1.2680    2

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6楼2013-09-19 09:30:04

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖