[交流] 【求助】氧化锆XRD标准谱图已有4人参与

1楼2010-05-12 19:28:58

jianronx

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同求。。谢谢jianronx@126.com

3楼2010-10-09 17:49:14

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xhtangxh

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单斜相

liusanbing(金币+6):谢谢 2010-10-10 22:32:58

Card Information
Names: Zirconium Oxide
Zirconia, syn
Zirconium dioxide
Formula: Zr O2
PDF Number: 89-9066
Quality: calculated
Subfiles: inorganic mineral alloy COR FIZ

Cell and Symmetry Information
System: monoclinic Space Group: P21/c (no.  14)
a: 5.146 b: 5.205 c: 5.313
b: 99.1
Density (Dx): 5.823 Z: 4

Instrument Information
Radiation: CuKa1 Wavelength: 1.54060
Instrument(d): calculated Cut Off: 17.7
Instrument(I): calculated I type: peak heights
I/Icor: 4.97

Comments and Additional Information
ICSD Number: 089426
NT Rietveld profile refinement applied
Temperature factor: ITF
TI Crystal structure of zirconia by Rietveld refinement
WY e3 (P121/C1)
AF AX2

Literature References
General:    Calculated from ICSD using POWD-12++          ( )
Structure: Wang, D.-N., Guo, Y.-Q., Liang, K.-M., Tao, K Sci. China, Ser. A: Math., Phys., Astron. 42 80 (1999)

Peak Data

PeakList
   h    k    l    d    I
   1    0    0 5.0812    53
   0    1    1 3.6950    102
   1    1    0 3.6359    110
-1    1    1 3.1605    999
   1    1    1 2.8416    659
   0    0    2 2.6231    265
   0    2    0 2.6025    134
   2    0    0 2.5406    149
-1    0    2 2.4974    25
   0    1    2 2.3424    7
   0    2    1 2.3314    28
   1    2    0 2.3163    6
   2    1    0 2.2831    10
-1    1    2 2.2516    2
-2    1    1 2.2117    129
   1    0    2 2.1937    51
-1    2    1 2.1778    29
   1    1    2 2.0215    60
-2    0    2 1.9889    58
   0    2    2 1.8475    123
   2    2    0 1.8180    207
-1    2    2 1.8019    111
-2    2    1 1.7813    35
   2    0    2 1.6958    77
   3    0    0 1.6958    77
   1    2    2 1.6773    9
   2    2    1 1.6606    41
   0    1    3 1.6577    86
-1    1    3 1.6506    55
   0    3    1 1.6473    35
   1    3    0 1.6419    47
   3    1    0 1.6091    73
-3    1    1 1.6091    73
-1    3    1 1.5903    53
-2    2    2 1.5803    45
   1    3    1 1.5446    94
-3    0    2 1.5381    58
   1    1    3 1.5106    49
-2    1    3 1.4946    60
   3    1    1 1.4786    88
-3    1    2 1.4750    47
   0    2    3 1.4515    7
   0    3    2 1.4467    22
-1    2    3 1.4467    22
   2    3    0 1.4328    5
-1    3    2 1.4249    22
   2    2    2 1.4208    63
   3    2    0 1.4208    63
   1    3    2 1.3608    11
   1    2    3 1.3496    2
-2    2    3 1.3382    4
   3    0    2 1.3302    1
-3    2    2 1.3241    19
-1    0    4 1.3215    25
   0    0    4 1.3115    8
-2    3    2 1.3074    13
   2    1    3 1.3012    19
   0    4    0 1.3012    19
-3    1    3 1.2849    7
-1    1    4 1.2809    4
   4    0    0 1.2703    16
   0    4    1 1.2630    34
   1    4    0 1.2606    18
-4    1    1 1.2447    17
-1    4    1 1.2368    2
   4    1    0 1.2341    5
   0    3    3 1.2316    9
-1    3    3 1.2287    12
   1    0    4 1.2239    12
-4    0    2 1.2216    8
   1    4    1 1.2142    6
-2    1    4 1.2142    6
   3    3    0 1.2113    20
-3    3    1 1.2113    20
   2    2    3 1.1946    3
   1    1    4 1.1914    3
-4    1    2 1.1893    3
-3    2    3 1.1814    3
-1    2    4 1.1783    27
   0    2    4 1.1712    7
   1    3    3 1.1676    20
   0    4    2 1.1657    12
   4    1    1 1.1622    7
-2    3    3 1.1602    18
   2    4    0 1.1582    14
-1    4    2 1.1540    7
   3    3    1 1.1526    14
-3    3    2 1.1509    9
-4    2    1 1.1500    11
-2    4    1 1.1485    11
   4    2    0 1.1416    16
-3    0    4 1.1268    16
-2    2    4 1.1268    16
   1    4    2 1.1192    2
   2    4    1 1.1142    12
   1    2    4 1.1076    14
-4    2    2 1.1048    30
   3    1    3 1.1048    30
-3    1    4 1.1013    13
   2    0    4 1.0968    9
-4    1    3 1.0903    20

4楼2010-10-10 16:04:32

xhtangxh

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四方相

Card Information
Names: Zirconium Oxide
Formula: Zr O2
PDF Number: 89-6976
Quality: calculated
Subfiles: inorganic alloy COR FIZ

Cell and Symmetry Information
System: tetragonal Space Group: P42/nmc  (no. 137)
a: 3.64 c: 5.27
Density (Dx): 5.859 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: 10.15

Comments and Additional Information
ICSD Number: 051051
NT Rietveld profile refinement applied
TT No R value given.
Temperature factor: ITF
TI Zirconium titanate from sol-gel synthesis: thermal decomposition and quantitative phase analysis
Pattern: See PDF 01-073-1441.
WY d b (P42/NMCZ)
AF AX2

Literature References
General:    Calculated from ICSD using POWD-12++          ( )
Structure: Sham, E.L., Aranda, M.A.G., Farfan-Torres,E.M., Gottifredi, J.C., Martinez-Lara, M.,Bruque, S. J. Solid State Chem.  139 225 (1998)

Peak Data

PeakList
   h    k    l    d    I
   1    0    1 2.9950    999
   0    0    2 2.6350    82
   1    1    0 2.5739    129
   1    0    2 2.1344    11
   1    1    2 1.8412    329
   2    0    0 1.8200    172
   2    0    1 1.7203    1
   1    0    3 1.5821    116
   2    1    1 1.5553    217
   2    0    2 1.4975    55
   2    1    2 1.3849    3
   0    0    4 1.3175    17
   2    2    0 1.2869    40
   1    0    4 1.2388    2
   2    1    3 1.1940    77
   3    0    1 1.1824    37
   1    1    4 1.1728    29
   2    2    2 1.1564    22
   3    1    0 1.1511    20
   3    0    2 1.1021    1

5楼2010-10-10 16:06:01

xhtangxh

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正交相

Card Information
Names: Zirconium Oxide
Formula: Zr O2
PDF Number: 87-2105
Quality: calculated
Subfiles: inorganic alloy COR FIZ

Cell and Symmetry Information
System: orthorhombic Space Group: Pnam    (no.  62)
a: 5.58730 b: 6.48470 c: 3.32980
Density (Dx): 6.782 Z: 4

Instrument Information
Radiation: CuKa1 Wavelength: 1.54060
Instrument(d): calculated Cut Off: 17.7
Instrument(I): calculated I type: peak heights
I/Icor: 3.54

Comments and Additional Information
ICSD Number: 083862
NT Rietveld profile refinement applied
TT At least one TF implausible.
Temperature factor: ITF
Pattern: See PDF 01-083-0809.
TI Characterization of the cotunnite-type phases of zirconia and hafnia by neutron diffraction and Raman spectroscopy
WY c3 (PNAM)
AF AX2

Literature References
General:    Calculated from ICSD using POWD-12++          ( )
Structure: Haines, J., Leger, J.M., Hull, S., Petitet,J.P., Pereira, A., Perottoni, C.A., daJornada, J.A.H. J. Am. Ceram. Soc. 80  1910 (1997)

Peak Data

PeakList
   h    k    l    d    I
   1    1    0 4.2328    4
   0    2    0 3.2424    44
   0    1    1 2.9621    516
   1    2    0 2.8044    999
   2    0    0 2.7936    807
   1    1    1 2.6171    949
   1    2    1 2.1450    85
   2    0    1 2.1402    64
   2    2    0 2.1164    41
   2    1    1 2.0324    611
   1    3    0 2.0160    23
   0    3    1 1.8131    335
   3    1    0 1.7901    23
   2    2    1 1.7862    15
   1    3    1 1.7245    160
   2    3    0 1.7096    4
   0    0    2 1.6649    207
   0    4    0 1.6212    135
   3    2    0 1.6150    275
   3    1    1 1.5767    251
   1    4    0 1.5570    14
   2    3    1 1.5208    287
   0    2    2 1.4811    6
   3    2    1 1.4531    2
   1    2    2 1.4316    239
   3    3    0 1.4109    4
   1    4    1 1.4109    4
   2    4    0 1.4022    96
   4    0    0 1.3968    67
   2    1    2 1.3968    67
   4    1    0 1.3655    1
   2    2    2 1.3085    12
   3    3    1 1.2991    34
   4    0    1 1.2881    2
   1    3    2 1.2837    3
   4    2    0 1.2837    3
   4    1    1 1.2634    43
   1    5    0 1.2634    43
   3    4    0 1.2228    10
   3    1    2 1.2191    10
   0    5    1 1.2085    1
   4    2    1 1.1971    1
   2    3    2 1.1927    1
   1    5    1 1.1812    100
   4    3    0 1.1732    2
   0    4    2 1.1615    76
   3    2    2 1.1592    163
   3    4    1 1.1479    6
   1    4    2 1.1372    9
   2    5    1 1.1092    21
   4    3    1 1.1065    68
   0    1    3 1.0940    18

6楼2010-10-10 16:14:39