Match! Phase Analysis Report
Sample: Commander Sample ID
Sample Data
File name
File path
Data collected
Data range
Original data range
Number of points
Step size
Rietveld refinement converged
Alpha2 subtracted
Background subtr.
Data smoothed
2theta correction
Radiation
Wavelength
Kelompok 4 ZnO 20-80 OD= 0,6.raw
C:/Users/ashra/Downloads/Prak. TPK
05/23/2023, 12:17:34
20.220º - 60.222º
20.000º - 60.002º
8716
0.005
No
No
No
No
0.22º
X-rays
1.541874 Å
Analysis Results
Index Amount (%) Name
A
100.0
Zn O
36.0
Unidentified peak area
Formula sum
O Zn
Element Amount (weight %)
Zn
80.3%
O
19.7%(*)
*LE (sum)
19.7%
Details of identified phases
A: Zn O (100.0 %)*
Formula sum
Entry number
Figure-of-Merit (FoM)
Total number of peaks
Peaks in range
Peaks matched
Intensity scale factor
Space group
Crystal system
Unit cell
I/Ic
Calc. density
Reference
O Zn
96-210-7060
0.806705*
70
10
10
0.72*
P 63 m c
hexagonal
a= 3.2417 Å c= 5.1876 Å
6.45
5.725 g/cm³
Albertsson J., Abrahams S.C., Kvick A., "Atomic displacement, anharmonic thermal vibration, expansivity
andpyroelectric coefficient thermal dependences in Zn O.", Acta Crystallographica B (39,1983-) 45, 34-40
(1989)
(*)2theta values have been shifted internally for the calculation of the amounts, the intensity scaling factors as well as the figure-of-merit (FoM), due to
the active search-match option 'Automatic zero point adaption'.
Candidates
Name
Manitobaite
\alpha-Zn4Sb3
Magnesium thiosulfate hexahydrate
Porphyrazinealuminiumchloride
Na16 K2 (Si18 O36 (O H)18) (H2 O)38
Sodium manganese phosphate
Fillowite
Magnesium thiosulfate hexahydrate
Magnesium thiosulfate hexahydrate
Hereroite
Cs23 (Sn4) (Sn O3)4 O2.15
Vurroite
Steropesite
kaliophilite
Nb31 O77 F
Ca2.3 (Ca0.7 Nb1.95 V0.05) O8
{[4-Br-3,5-(CF3)2Pz]Cu}3
Proudite
Rb23.28 (Sn4) (Sn O3)3.72 O3
Cannizzarite
beta-oCA
Manitobaite
Na1.13 K0.125 (Ba Sr Pb)0.0835 Ca0.75 Fe4.42
Mn1.42 (Li Mg)0.25 Zn0.42 Al0.5(P6 O23.82 F1.16)
Cannizzarite
Calcium catena-polyphosphate
Megacyclite
Arrojadite-(KFe)
lead oxide bromide/chloride
Strontium
Strontium
(S4 N3) (N O3)
Tazieffite
Arrojadite-(KNa)
caesium lantanum chloride oxo-selenate(IV)
S4 N4 H4
Bi46 V8 O89
Al (P O3)3
Ramdohrite
Ba0.835 Yb0.165 F2.165
Hugelite
Magnesium thiosulfate hexahydrate
K Na5 Ca (Fe8.5 Mn4.5) Al F (O H) (P O4)12
Rb5 I (I3) (Bi I6) (H2 O)2
Formula
Entry No.
Al6.56 Ca2.44 Fe12 Mg0.44 Mn12.2 Na15.13 O120 P30
96-901-5040
Sb10 Zn13
96-411-3279
As8 Eu3 Ga6
96-412-7424
H12 Mg O9 S2
96-110-0071
C16 Al Cl N16 S4
96-430-9965
H6 Mn23.52 Na5.81 O72.48 P18
96-901-0769
H94 K2 Na16 O92 Si18
96-153-6795
Mn45.31 Na14.11 O144 P36
96-201-7235
Ca4.66 Fe8.02 Mn35.6 Na11.72 O144 P36
96-900-0826
H12 Mg O9 S2
96-110-0078
H12 Mg O9 S2
96-110-0074
As2.56 Cl9 Mo0.16 O36.7 Pb32 Si0.96 V0.32
96-901-4100
Cs23 O14.15 Sn8
96-153-7107
As4.71 Bi6.97 Cl3 Pb9.6 S27 Sn0.72
96-901-0439
H5 Mn43 Na17 O144 P36
96-720-2956
Bi6.62 Cl54 Rb23 Sb2.38
96-400-3895
Bi Br0.558 Cl5.322 Tl3
96-901-3383
Al27 K24.67 Na2.33 O108 Si27
96-155-9219
F Nb31 O77
96-153-4171
Ca3 Nb1.95 O8 V0.05
96-153-1228
C15 Br3 Cu3 F18 N6
96-433-6872
Bi18.8 Cu1.5 Pb14.5 S30 Se14
96-900-0516
O14.16 Rb23.28 Sn7.72
96-153-7104
Bi54 Pb46 S127
96-901-1203
C20 Cl10 N6
96-151-7089
C6 Cl4 O2
96-151-6178
Al6.78 Ca1.84 Fe12.22 Mn12.91 Na13.5 O120 P30
96-901-6714
Al0.5 Ba0.0835 Ca0.75 F1.16 Fe4.42 K0.125 Li0.25 Mg0.25
96-153-0217
Mn1.42 Na1.13 O23.82 P6 Pb0.0835 Sr0.0835 Zn0.42
Bi27 Pb25 S62.39 Se3.61
96-901-5363
Ag5 Fe3 Na2 O28 P8
96-705-3284
Ca O6 P2
96-400-1395
H46 K Na8 O46 Si9
96-901-3161
Mn11 O22 Rb15
96-810-3037
Al Ba0.25 Ca F3.32 Fe12 H1.32 K0.25 Mn2 Na2.25 O46.68 P12
96-901-6442
Sr0.25
Br1.25 Cl O2.75 Pb3.88
96-433-2260
Sr
96-900-8485
Sr
96-901-2727
N4 O3 S4
96-153-9939
As6.41 Bi4.59 Cd0.5 Cl4 H0.48 N0.12 Pb10.13 S26 Sn0.25
96-901-3678
Al Ca0.984 Fe10.54 K0.902 Mg2.46 Na4.858 O50 P12
96-901-4940
Cl12 Cs3 La11 O36 Se12
96-220-8196
H4 N4 S4
96-210-6404
O7 P2 Ti
96-201-1793
Bi46 O89 V8
96-153-6257
Al O9 P3
96-210-6620
Ag1.5 Pb3 S12 Sb5.5
96-901-1731
Ba0.835 F2.165 Yb0.165
96-152-8532
As2 H10 O21 Pb2 U3
96-901-1825
H12 Mg O9 S2
96-110-0079
Al Ca F Fe8.5 H K Mn4.5 Na5 O49 P12
96-152-4953
Bi H4 I10 O2 Rb5
96-210-6785
C14 Cl4 F6 N4
96-402-7315
and 598 others...
Search-Match
Settings
Reference database used
COD-Inorg 2022.11.07
Automatic zeropoint adaptation
Yes
Downgrade entries with low scaling factorsYes
Minimum figure-of-merit (FoM)
0.60
2theta window for peak corr.
0.30 deg.
Minimum rel. int. for peak corr.
0
Parameter/influence 2theta
0.50
Parameter/influence intensities
0.50
Parameter multiple/single phase(s)
0.50
Peak List
No.
1
2
3
4
5
6
7
8
2theta [º]
20.37
20.69
20.96
21.33
21.72
22.25
22.57
23.27
d [Å]
4.3595
4.2935
4.2377
4.1665
4.0916
3.9957
3.9404
3.8230
I/I0 (peak height) Counts (peak area)
17.74
11.96
56.20
45.49
15.93
12.89
98.75
86.58
38.65
23.46
88.61
83.66
31.58
19.17
69.71
79.92
FWHM
0.0918
0.1102
0.1102
0.1193
0.0826
0.1285
0.0826
0.1561
Matched
FoM
0.7174
0.7120
0.7018
0.7008
0.7002
0.6993
0.6965
0.6957
0.6957
0.6937
0.6931
0.6927
0.6895
0.6881
0.6879
0.6873
0.6844
0.6837
0.6831
0.6829
0.6829
0.6812
0.6809
0.6793
0.6792
0.6788
0.6783
0.6779
0.6773
0.6772
0.6760
0.6758
0.6756
0.6744
0.6738
0.6738
0.6713
0.6698
0.6695
0.6686
0.6683
0.6681
0.6677
0.6670
0.6659
0.6644
0.6639
0.6634
0.6628
0.6622
0.6614
0.6611
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
23.53
24.50
24.73
25.40
26.11
26.28
26.61
26.77
27.52
27.75
28.69
28.88
29.32
29.72
30.07
30.35
30.58
31.18
31.51
32.02
32.78
33.25
33.68
34.12
34.69
35.34
35.78
36.50
36.93
37.45
37.98
39.21
39.50
39.78
39.97
40.11
41.36
41.99
43.16
43.45
43.78
43.97
44.41
44.55
47.17
47.36
47.78
48.06
49.68
52.18
56.82
56.95
59.21
3.7811
3.6338
3.5999
3.5070
3.4131
3.3908
3.3500
3.3308
3.2409
3.2146
3.1113
3.0914
3.0460
3.0064
2.9719
2.9451
2.9239
2.8685
2.8396
2.7955
2.7319
2.6949
2.6613
2.6279
2.5858
2.5399
2.5099
2.4620
2.4342
2.4014
2.3693
2.2977
2.2816
2.2661
2.2556
2.2480
2.1830
2.1519
2.0960
2.0828
2.0678
2.0592
2.0400
2.0340
1.9267
1.9197
1.9037
1.8933
1.8352
1.7531
1.6205
1.6169
1.5606
168.01
62.63
72.43
186.99
23.67
41.98
74.37
131.92
30.41
52.73
17.64
43.75
74.97
38.14
31.89
69.09
50.95
101.37
19.11
723.17
61.44
40.00
17.49
45.42
434.57
25.39
58.58
1000.00
32.76
52.80
31.66
84.29
32.14
28.00
32.08
26.47
28.85
18.21
24.29
26.34
36.15
26.62
35.68
27.33
21.36
22.01
193.91
40.20
18.85
41.02
289.12
95.23
16.15
158.63
46.46
58.62
226.99
14.37
33.97
80.25
124.56
26.66
46.23
15.47
29.50
106.18
30.87
25.81
74.56
51.55
68.37
19.33
975.44
58.01
37.77
8.26
55.13
732.70
35.97
98.76
1213.95
33.15
42.73
23.49
85.27
19.51
33.99
47.59
30.34
13.62
13.51
9.83
40.86
41.45
21.54
28.87
29.49
4.32
13.36
287.71
43.38
19.07
22.13
331.48
96.34
10.89
0.1285
0.1010
0.1102
0.1652
0.0826
0.1102
0.1469
0.1285
0.1193
0.1193
0.1193
0.0918
0.1928
0.1102
0.1102
0.1469
0.1377
0.0918
0.1377
0.1836
0.1285
0.1285
0.0643
0.1652
0.2295
0.1928
0.2295
0.1652
0.1377
0.1102
0.1010
0.1377
0.0826
0.1652
0.2020
0.1561
0.0643
0.1010
0.0551
0.2111
0.1561
0.1102
0.1102
0.1469
0.0275
0.0826
0.2020
0.1469
0.1377
0.0734
0.1561
0.1377
0.0918
A
A
A
A
A
A
Integrated Profile Areas
Based on calculated profile
Profile area
Overall diffraction profile
Background radiation
Diffraction peaks
Peak area belonging to selected phases
Peak area of phase A (Zn O)
Unidentified peak area
Counts
2878409
1351068
1527341
491223
491223
1036119
Amount
100.00%
46.94%
53.06%
17.07%
17.07%
36.00%
Peak Residuals
Peak data
Overall peak intensity
Peak intensity belonging to selected phases
Unidentified peak intensity
Counts
6161
5575
587
Amount
100.00%
90.48%
9.52%
Diffraction Pattern Graphics
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