[交流] 【求助】氧化锆XRD标准谱图已有3人参与

1楼2010-05-12 19:28:58

konglingqian

木虫 (正式写手)

应助: 1 (幼儿园)
金币: 2584.4
散金: 31
帖子: 423
在线: 188小时
虫号: 909359
注册: 2009-11-22
性别: GG
专业: 无机材料化学

同求

英雄作事无他，只坚忍一心，能全世界能全我

2楼2010-10-09 16:28:55

jianronx

木虫 (小有名气)

应助: 0 (幼儿园)
金币: 4779
红花: 1
帖子: 111
在线: 97.8小时
虫号: 373310
注册: 2007-05-16
性别: GG
专业: 催化化学

同求。。谢谢jianronx@126.com

3楼2010-10-09 17:49:14

xhtangxh

木虫 (著名写手)

有木有虫

C-EPI: 7
应助: 773 (博后)
金币: 17835.9
红花: 107
帖子: 2675
在线: 597.8小时
虫号: 428580
注册: 2007-08-04
专业: 催化化学

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

木虫 (著名写手)

有木有虫

C-EPI: 7
应助: 773 (博后)
金币: 17835.9
红花: 107
帖子: 2675
在线: 597.8小时
虫号: 428580
注册: 2007-08-04
专业: 催化化学

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

木虫 (著名写手)

有木有虫

C-EPI: 7
应助: 773 (博后)
金币: 17835.9
红花: 107
帖子: 2675
在线: 597.8小时
虫号: 428580
注册: 2007-08-04
专业: 催化化学

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

xhtangxh

木虫 (著名写手)

有木有虫

C-EPI: 7
应助: 773 (博后)
金币: 17835.9
红花: 107
帖子: 2675
在线: 597.8小时
虫号: 428580
注册: 2007-08-04
专业: 催化化学

立方相

Card Information
Names: Zirconium Oxide
Formula: Zr O2
PDF Number: 49-1642
Quality: indexed
Subfiles: inorganic alloy COR CP  FOR SCM

Cell and Symmetry Information
System: cubic Space Group: Fm-3m (no. 225)
a: 5.128
Z: 4

Instrument Information
Radiation: CuKa1 Wavelength: 1.5406    Filter: Quartz
Instrument(d): diffractometer Standard: Si
Instrument(I): diffractometer I type: unknown

Comments and Additional Information
Preparation: Prepared by sintering 10 wt.% Zr O2 in Al2 O3 at 1973 K for 90 minutes at a pressure of 0.133 MPa.  The oxygen deficient phase was synthesized by annealing in vacuum at pressures below 2.8x10@-@2 MPa.
General: Oxygen deficient structure (in range of Zr O 1.688-Zr O 1.740).
Pattern: See 00-022-0540.
Pattern: To replace 00-027-0997.

Literature References
General: Tomaszewski, H., Godwod, K. J. Eur. Ceram. Soc. 15 17 (1995)
Unit Cell: Duwez, Odell. J. Am. Ceram. Soc. 33 274 (1950)

Peak Data

PeakList
   h    k    l    d    I
   1    1    1 2.9646    100
   2    0    0 2.5645    17
   2    2    0 1.8152    32
   3    1    1 1.5467    16
   2    2    2 1.4810    2
   4    0    0 1.2809    1
   3    3    1 1.1770    2
   4    2    0 1.1468    3
   4    2    2 1.0470    1
   3    3    3 0.9865    1
   5    3    1 0.8669    1
   6    0    0 0.8547    1

7楼2010-10-10 16:22:04

敖红敏

铜虫 (初入文坛)

应助: 1 (幼儿园)
金币: 299.8
散金: 60
红花: 1
帖子: 32
在线: 57.6小时
虫号: 1849306
注册: 2012-06-06
性别: MM
专业: 金属功能材料

★
小木虫: 金币+0.5, 给个红包，谢谢回帖

引用回帖:

1215788楼: Originally posted by xhtangxh at 2010-10-10 16:14:39
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 Grou ...

请问这是XRD的PDF卡片吗？

8楼2012-10-16 15:51:36

xhtangxh

木虫 (著名写手)

是.

9楼2012-10-17 08:28:02

wahzhhsw

银虫 (小有名气)

应助: 5 (幼儿园)
金币: 426.9
散金: 18
红花: 2
帖子: 150
在线: 138.9小时
虫号: 775350
注册: 2009-05-20
专业: 催化化学

★
小木虫: 金币+0.5, 给个红包，谢谢回帖

这个是我做的，分别为单斜和四方晶型

QQ截图20121017110224.jpg

t.jpg

10楼2012-10-17 11:03:58