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daniel1988

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专业: 电化学

[求助] 求助两个JCPDS卡片信息，在线急等，万分感激已有1人参与

（a）JCPDS#01-087-1564
（b）JCPDS#01-073-0152

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1楼2015-04-01 09:28:12

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xhtangxh

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感谢参与，应助指数 +1
daniel1988: 金币+10, ★★★★★最佳答案 2015-04-01 20:37:34

Card Information
Names: Lithium Nickel Cobalt Oxide
Formula: Li ( Ni0.6 Co0.4 ) O2
PDF Number: 000-87-1564
Quality: calculated
Subfiles: inorganic COR FIZ

Cell and Symmetry Information
System: rhombohedral Space Group: R-3m    (no. 166)
a: 2.85300 c: 14.13830
Density (Dx): 4.884 Z: 3

Instrument Information
Radiation: CuKa1 Wavelength: 1.54060
Instrument(d): calculated Cut Off: 17.7
Instrument(I): calculated I type: peak heights
I/Icor: 4.28

Comments and Additional Information
ICSD Number: 083304
NT Rietveld profile refinement applied
Temperature factor: ITF
TI Effect of cobalt substitution on cationic distribution in Li Ni1-y Coy O2 electrode materials
WY c b a (R3-MH)
AF ABX2

Literature References
General:    Calculated from ICSD using POWD-12++          (1997)
Structure: Rougier, A., Saadoune, I., Gravereau, P.,Willmann, P., Delmas, C. Solid State Ionics 90 83 (1996)

Peak Data
Wavelength 1.5406 used to convert d to 2theta

PeakList
   h    k    l       d    2theta    I
   0    0    3    4.7128    18.8139 999
   1    0    1    2.4339    36.9006 315
   0    0    6    2.3564    38.1604    37
   0    1    2    2.3324    38.5680    96
   1    0    4    2.0251    44.7137 560
   0    1    5    1.8606    48.9133    90
   0    0    9    1.5709    58.7255    13
   1    0    7    1.5638    59.0209    91
   0    1    8    1.4374    64.8063 121
   1    1    0    1.4265    65.3644 123
   1    1    3    1.3653    68.6901    78
   0    2    1    1.2307    77.4947    20
   1    0 10    1.2271    77.7625    19
   1    1    6    1.2203    78.2799    21
   2    0    2    1.2169    78.5384    19
   0    0 12    1.1782    81.6548    14
   0    2    4    1.1662    82.6758    45
   0    1 11    1.1402    84.9916    23
   2    0    5    1.1321    85.7535    11

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3楼2015-04-01 12:40:29

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xhtangxh

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CMEI: 6
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daniel1988: 金币+10, ★★★★★最佳答案 2015-04-01 20:37:46

Card Information
Names: Lithium Manganese Oxide
dilithium manganese(IV) oxide
Formula: Li2 Mn O3
PDF Number: 000-73-0152
Quality: calculated
Subfiles: inorganic COR FIZ

Cell and Symmetry Information
System: monoclinic Space Group: C2/c    (no.  15)
a: 4.92800 b: 8.53300 c: 9.60400
b: 99.500
Density (Dm): 3.800 Density (Dx): 3.895 Z: 8

Instrument Information
Radiation: CuKa1 Wavelength: 1.54060
Instrument(d): calculated Cut Off: 17.7
Instrument(I): calculated I type: peak heights
I/Icor: 2.29

Comments and Additional Information
ICSD Number: 021022
TT Calc. density unusual but tolerable.
TT No R value given.
TT At least one TF missing.
Pattern: See PDF 00-027-1252.
TI Zur Kenntnis der Na Cl Struktur Familie: neue Untersuchungen an Li2 Mn O3
WY f4 e3 c (C12/C1)
AF AB2X3

Literature References
General:    Calculated from ICSD using POWD-12++          (1997)
Structure: Jansen, M., Hoppe, R. Z. Anorg. Allg. Chem.  397 279 (1973)

Peak Data
Wavelength 1.5406 used to convert d to 2theta

PeakList
   h    k    l       d    2theta    I
   0    0    2    4.7361    18.7202 999
   0    2    0    4.2665    20.8026 205
-1    1    1    4.0811    21.7587 330
   1    1    1    3.6667    24.2536 225
-1    1    2    3.4039    26.1577    1
   0    2    2    3.1699    28.1268 126
   1    1    2    2.9490    30.2823    1
-1    1    3    2.7231    32.8636    69
-1    3    1    2.4260    37.0250 250
   1    1    3    2.3710    37.9157    49
   0    0    4    2.3710    37.9157    49
   1    3    1    2.3297    38.6151    26
-2    0    2    2.3235    38.7209    26
-1    1    4    2.2048    40.8966    1
   0    4    0    2.1332    42.3334    8
-2    2    1    2.1269    42.4666    5
   2    2    0    2.1117    42.7872    21
   1    3    2    2.1117    42.7872    21
   0    2    4    2.0705    43.6808    25
-2    2    2    2.0406    44.3559    32
   2    0    2    2.0303    44.5909 299
-1    3    3    2.0214    44.7990 575
   0    4    2    1.9451    46.6593    23
   1    3    3    1.8642    48.8118    59
-2    0    4    1.8560    49.0405    31
   2    2    2    1.8333    49.6883    25
-1    1    5    1.8293    49.8066    27
   0    4    3    1.7676    51.6686    1
-2    2    4    1.7020    53.8192    19
   1    1    5    1.6428    55.9243    10
   1    3    4    1.6375    56.1205    5
-3    1    1    1.6130    57.0496    10
   1    5    0    1.6098    57.1730    6
-2    4    1    1.6098    57.1730    6
   2    4    0    1.6020    57.4789    17
-1    5    1    1.6020    57.4789    17
   0    4    4    1.5850    58.1547    16
   0    0    6    1.5787    58.4076    13
-2    4    2    1.5713    58.7082    45
   2    0    4    1.5713    58.7082    45
-1    3    5    1.5642    59.0034    59
   3    1    1    1.5297    60.4711    14
-3    1    3    1.5241    60.7149    7
   1    5    2    1.4997    61.8091    1
-2    4    3    1.4968    61.9443    1
   0    2    6    1.4806    62.6979    7
   2    2    4    1.4745    62.9864    11
   2    4    2    1.4707    63.1679    10
-1    5    3    1.4673    63.3317    15
   1    3    5    1.4427    64.5383 119
   3    1    2    1.4399    64.6806    68
-2    0    6    1.4366    64.8463    64
-3    1    4    1.4330    65.0328    33
-3    3    1    1.4225    65.5728 162
   0    6    0    1.4225    65.5728 162
   1    5    3    1.4037    66.5610    5
-2    4    4    1.4002    66.7485    11
-1    3    6    1.3813    67.7895    1
   3    3    1    1.3643    68.7469    26
   0    6    2    1.3621    68.8765    39
-2    2    6    1.3621    68.8765    39
-3    3    3    1.3604    68.9747    42
-1    1    7    1.3460    69.8202    5
   3    1    3    1.3369    70.3661    5
-3    1    5    1.3295    70.8164    4
   3    3    2    1.2995    72.7056    1
   1    5    4    1.2995    72.7056    1
   0    6    3    1.2967    72.8872    1
   0    2    7    1.2899    73.3365    1
   0    4    6    1.2690    74.7448    5
   2    4    4    1.2652    75.0107    5
-1    5    5    1.2614    75.2723    5
   1    1    7    1.2381    76.9469    4
   2    0    6    1.2341    77.2409    3
   3    1    4    1.2318    77.4141    2
-2    6    1    1.2318    77.4141    2
-1    3    7    1.2292    77.6085    6
   2    6    0    1.2274    77.7392    16
-4    0    2    1.2274    77.7392    16
-3    1    6    1.2246    77.9573    8
   3    3    3    1.2222    78.1335    5
-2    2    7    1.2222    78.1335    5
   0    6    4    1.2192    78.3648    7
-3    3    5    1.2166    78.5676    7
-2    6    2    1.2130    78.8438    6
   1    5    5    1.1951    80.2620    4
-2    4    6    1.1916    80.5444    4
   0    0    8    1.1840    81.1665    24
-3    5    1    1.1840    81.1665    24
-1    7    1    1.1790    81.5893    9
-4    2    2    1.1790    81.5893    9
   1    7    1    1.1675    82.5619    7
   2    6    2    1.1648    82.7944    43
-4    0    4    1.1618    83.0616    40
-1    5    6    1.1594    83.2666    11
-1    7    2    1.1594    83.2666    11
   3    5    1    1.1494    84.1613    4
   1    3    7    1.1454    84.5213    15
   0    4    7    1.1427    84.7685    9
-2    0    8    1.1412    84.9079    11
   0    2    8    1.1412    84.9079    11
   4    2    1    1.1381    85.1910    5
   4    0    2    1.1328    85.6802    4
   3    1    5    1.1316    85.7939    2
-2    6    4    1.1289    86.0545    7
-3    1    7    1.1249    86.4326    4
-1    7    3    1.1222    86.6938    3
-4    2    4    1.1210    86.8116    3
-3    5    4    1.1066    88.2254    1
-1    3    8    1.1024    88.6494    1
-2    2    8    1.1024    88.6494    1
   1    1    8    1.0998    88.9133    1
   4    2    2    1.0949    89.4196    1
-2    4    7    1.0949    89.4196    1
   1    7    3    1.0930    89.6201    2

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4楼2015-04-01 12:41:27

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