Match!

 Phase Analysis Report

Sample: Std_new_10_80_Ridho Aditya_Abu Layang
Sample Data
File name Std_new_10_80_Ridho Aditya_Abu Layang.rd
File path G:/skripshit/Ridho Andika
Data collected Jul 13, 2018 00:31:05
Data range 10.160º ­ 80.166º
Number of points 4119
Step size 0.017
Rietveld refinement converged No
Alpha2 subtracted No
Background subtr. No
Data smoothed Yes
2theta correction 0.04º
Radiation X­rays
Wavelength 1.541874 Å

Matched Phases
Index Amount (%) Name Formula sum
A 55.3 Aluminium Silicon Oxide (4.8/1.2/9.6) Mullite Al4.8 O9.6 Si1.2
B 41.3 Quartz O2 Si
C 3.5 Magnetite Fe3 O4
3.6 Unidentified peak area

A: Aluminium Silicon Oxide
(4.8/1.2/9.6) Mullite (55.3 %)
Formula sum Al4.8 O9.6 Si1.2
Entry number 96­710­5576
Figure­of­Merit (FoM) 0.656672
Total number of peaks 214
Peaks in range 133
Peaks matched 92
Intensity scale factor 0.16
Space group P b a m
Crystal system orthorhombic
Unit cell a= 7.5880 Å b= 7.6880 Å c= 2.8895 Å
I/Ic 0.80
Calc. density 3.120 g/cm³
Reference Zhang Pengyu, Liu Jiachen, Du Haiyan, Li Sha, Xu Rui, "A facile preparation of mullite [Al(2)
(Al(2.8)Si(1.2))O(9.6)]nanowires by B(2)O(3)­doped molten salts synthesis.", 332­342 (1991)

B: Quartz (41.3 %)
Formula sum O2 Si
Entry number 96­901­0145
Figure­of­Merit (FoM) 0.808015
Total number of peaks 70
Peaks in range 46
Peaks matched 39
Intensity scale factor 0.68
Space group P 32 2 1 S
Crystal system trigonal (hexagonal axes)
Unit cell a= 4.9230 Å c= 5.4090 Å
I/Ic 4.55
Calc. density 2.636 g/cm³
Reference Ikuta D., Kawame N., Banno S., Hirajima T., Ito K., Rakovan J. F., Downs R. T., Tamada O., "First in situ X­ray
diffraction identification of coesite and retrogradequartz on a glass thin section of an ultrahigh­pressure
metamorphic rock andtheir crystal structure details Locality: Yangkou meta­igneous complex in themiddle
part of the Sulu UHP terrain, eastern China Note: Sample is on a thinsection", American Mineralogist 92, 57­
63 (2007)

C: Magnetite (3.5 %)
Formula sum Fe3 O4
Entry number 96­900­6248
Figure­of­Merit (FoM) 0.551475
Total number of peaks 68
Peaks in range 30
Peaks matched 22
Intensity scale factor 0.08
Space group F d ­3 m
Crystal system cubic
Unit cell a= 8.3271 Å
I/Ic 6.27
Calc. density 5.327 g/cm³
Reference O´Neill H St C, Dollase W. A., "Crystal structures and cation distributions in simple spinels from powder
XRDstructural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperaturedependence of the cation
 distribution in ZnAl2O4 Sample: Fe3O4, originalbackground less 7 to 18 degrees 2 theta", Physics and
Chemistry of Minerals 20, 541­555 (1994)

Candidates
Name Formula Entry No. FoM
Iron Fe 96­901­3474 0.6888
Iron Fe 96­900­6602 0.6882
Fe 96­411­3942 0.6880
Iron Fe 96­901­3473 0.6858
alfa­Fe Fe 96­110­0109 0.6847
Iron Fe 96­900­6603 0.6842
Iron Fe 96­900­0659 0.6841
Iron Fe 96­901­3415 0.6837
Iron Fe 96­900­2673 0.6836
Iron Fe 96­901­3464 0.6836
Fe 96­411­3929 0.6835
Fe 96­411­3937 0.6833
Iron Fe 96­500­0218 0.6832
Iron­alpha Fe 96­900­8537 0.6832
Iron Fe 96­900­0658 0.6828
Iron Fe 96­900­6589 0.6826
Iron Fe 96­900­6588 0.6824
Iron Fe 96­900­6596 0.6823
Fe 96­411­3932 0.6820
Iron Fe 96­900­6590 0.6812
Iron Fe 96­901­4286 0.6768
Iron Fe 96­901­4664 0.6768
O2 O2 96­210­6432 0.6701
Iron Fe 96­901­5753 0.6701
Iron Fe 96­901­6263 0.6701
Si O2 O2 Si 96­153­5067 0.6699
alpha1H dicalcium silicate Ca2 O4 Si 96­154­6028 0.6698
Iron Fe 96­901­6507 0.6667
Iron Fe 96­901­3475 0.6664
Iron­delta Fe 96­900­8539 0.6651
Si O2 O2 Si 96­153­6407 0.6631
Iron Fe 96­901­6185 0.6626
Iron Fe 96­901­6602 0.6626
Iron Fe 96­901­4790 0.6598
Iron Fe 96­901­6335 0.6598
Iron Fe 96­901­4541 0.6596
Iron Fe 96­901­5331 0.6596
Iron Fe 96­901­6481 0.6558
Fe 96­720­4808 0.6553
Si O2 O2 Si 96­412­4049 0.6507
Na15.6 Ca3.84 (Si12 O36) Ca3.84 Na15.6 O36 Si12 96­810­4357 0.6495
Al9.1 K8 Si36.9 96­151­5384 0.6489
Al9.1 K8 Si36.9 96­151­7344 0.6489
Iron Fe 96­901­3489 0.6485
Iron Fe 96­901­4057 0.6457
Si O2 O2 Si 96­412­4073 0.6445
Iron Fe 96­901­4232 0.6440
Iron Fe 96­901­5973 0.6440
(Na.42 K.18) (Na1.04 Ca.96) (Mg3.17 Fe1.34 Zn.32 Mn.11 Li.06) (Si7.64 Al.36)O22.46
O8.64 96­153­8109 0.6438
F1.36 (O H).18
Potassium K 96­901­1983 0.6417
Lime Ca O 96­900­6713 0.6412
Iron Fe 96­901­4592 0.6409
and 78 others...

Search­Match
Settings
Reference database used COD­Inorg REV208743 2018.07.02
Automatic zeropoint adaptation Yes
Minimum figure­of­merit (FoM) 0.60
2theta window for peak corr. 0.30 deg.
Minimum rel. int. for peak corr. 1
Parameter/influence 2theta 0.50
Parameter/influence intensities 0.50
Parameter multiple/single phase(s) 0.50

Selection Criteria
Elements:

Elements of which at least one
O, Na, Al, Si, K, Ca, Fe
must be present:
Elements that must NOT be All elements not mentioned above
present:

Compound type:

Inorganic compounds only

Peak List
No. 2theta [º] d [Å] I/I0 FWHM Matched
1 10.76 8.2220 97.59 0.1700
2 10.94 8.0844 59.34 0.1360
3 11.30 7.8313 47.50 0.2040
4 13.33 6.6418 66.18 0.1020
5 14.35 6.1738 68.20 0.1360
6 14.74 6.0119 60.14 0.1020
7 16.45 5.3891 90.34 0.1360 A
8 16.67 5.3181 58.58 0.1360
9 17.41 5.0952 47.44 0.1360
10 17.67 5.0202 60.23 0.1700
11 20.86 4.2589 247.17 0.2380 B
12 22.39 3.9710 100.08 0.1360
13 23.46 3.7923 65.64 0.1360 A
14 23.66 3.7609 93.87 0.1360
15 24.43 3.6440 53.14 0.2380
16 24.84 3.5846 89.58 0.1360
17 25.16 3.5390 54.87 0.1360
18 25.38 3.5101 74.65 0.1700
19 25.81 3.4525 66.21 0.9860
20 26.03 3.4230 153.50 0.2040 A
21 26.24 3.3969 211.54 0.5440 A
22 26.64 3.3463 1000.00 0.2380 B
23 28.57 3.1241 88.83 0.1020
24 28.74 3.1059 65.39 0.1360
25 29.28 3.0501 59.01 0.1700
26 29.43 3.0347 63.16 0.1360
27 29.64 3.0142 57.56 0.1020
28 30.05 2.9740 49.92 0.1700
29 30.28 2.9519 106.46 0.1700 C
30 30.75 2.9080 82.45 0.1700
31 31.00 2.8848 101.20 0.1700 A
32 31.31 2.8573 97.55 0.1700
33 31.88 2.8068 96.89 0.1700
34 32.09 2.7891 78.55 0.1700
35 32.36 2.7664 64.94 0.1360
36 33.14 2.7030 129.29 0.2040 A
37 33.55 2.6708 131.22 0.4420
38 35.01 2.5631 71.21 0.1360
39 35.23 2.5472 95.02 0.2380 A
40 35.95 2.4979 68.86 0.2040 C
41 36.71 2.4484 83.58 0.6120 A,B
42 37.50 2.3985 92.57 0.1360 A,C
43 38.65 2.3295 68.07 0.1700
44 39.10 2.3041 96.74 0.3060 A
45 39.30 2.2927 100.17 0.4760 A,B
46 40.11 2.2483 107.31 0.2720 B
47 40.35 2.2354 112.18 0.2380 B
48 40.53 2.2258 95.36 1.1560
49 40.90 2.2064 196.37 0.2040 A
50 42.50 2.1270 93.30 0.2040 A,B
51 42.93 2.1068 107.95 0.2380 A
52 43.63 2.0747 89.58 0.2040 C
53 44.44 2.0384 66.59 0.1360
54 44.66 2.0292 112.09 0.2040
55 45.39 1.9981 56.05 0.1360
56 45.69 1.9857 60.25 0.1700 A,B
57 49.36 1.8465 65.79 0.1020 A
58 49.55 1.8398 44.44 0.1700 A
59 50.19 1.8177 110.56 0.1700 B
60 50.48 1.8079 47.78 0.1360 A,B
61 51.14 1.7862 58.57 0.1020
62 51.66 1.7695 50.61 0.1700
63 51.97 1.7595 83.41 0.1360
64 52.39 1.7466 60.40 0.2040
65 53.50 1.7128 75.66 0.1360 A
66 53.92 1.7004 68.75 0.1700 A,C
67 57.44 1.6043 51.55 0.1020 A,B,C
68 58.08 1.5881 47.16 0.1360 A
69 58.36 1.5813 39.85 0.1700 A
70 59.02 1.5652 42.67 0.1360 A
71 60.06 1.5404 55.81 0.1360 B
 72 62.04 1.4959 63.89 0.1360
73 62.28 1.4908 75.62 0.1700 A
74 64.47 1.4453 50.48 0.1360 A
75 65.09 1.4331 53.55 0.1360
76 65.66 1.4220 63.86 0.1360 A,B
77 66.38 1.4083 42.44 0.1360 A,C
78 66.75 1.4014 38.98 0.1700
79 67.13 1.3945 39.96 0.2040 A
80 67.66 1.3848 63.61 0.1360 B
81 67.83 1.3817 61.68 0.5100 B
82 68.33 1.3729 74.91 0.1020 B
83 68.57 1.3685 52.87 0.1020
84 69.34 1.3553 43.15 0.1360 A
85 69.86 1.3464 48.48 0.1360 A
86 70.44 1.3367 54.94 0.1700 A
87 70.99 1.3278 63.71 0.1360 A
88 71.70 1.3163 78.82 0.1700 A,C
89 73.31 1.2913 78.54 0.1020 B
90 74.13 1.2790 65.35 0.2040 A
91 74.51 1.2735 60.51 0.1360 A,C
92 74.92 1.2675 88.55 0.1360 A,C
93 75.08 1.2652 71.45 0.1360 A
94 75.39 1.2608 41.01 0.1360 A
95 75.56 1.2584 44.09 0.1360 B
96 75.73 1.2560 79.89 0.1360 B,C
97 76.02 1.2520 65.66 0.1700 A,C
98 76.90 1.2398 49.25 0.2040 A
99 77.43 1.2326 93.66 0.1360 A,B
100 77.67 1.2294 77.82 0.1700 B
101 78.80 1.2146 76.49 0.2040 A
102 79.96 1.1999 307.88 0.1020 A,B,C

Rietveld Refinement using FullProf
Calculation was not run or did not converge.

Crystallite Size Estimation using Scherrer Formula
Calculation was not run.

Integrated Profile Areas
Based on calculated profile

Profile area Counts Amount

Overall diffraction profile 338745 100.00%
Background radiation 319858 94.42%
Diffraction peaks 18886 5.58%
Peak area belonging to selected phases 6577 1.94%
Peak area of phase A (Aluminium Silicon Oxide (4.8/1.2/9.6) Mullite) 2720 0.80%
Peak area of phase B (Quartz) 3371 1.00%
Peak area of phase C (Magnetite) 486 0.14%
Unidentified peak area 12310 3.63%

Peak Residuals
Peak data Counts Amount
Overall peak intensity 280 100.00%
Peak intensity belonging to selected phases 233 83.05%
Unidentified peak intensity 47 16.95%

Diffraction Pattern Graphics
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