Match!

Phase Analysis Report

Sample: lp2
Sample Data
File name lp2.raw
File path E:/naskah seminar/Winda Silfia IST AKPRIND (2)
Data collected 08/08/18 09:31:46
Data range 2.020º - 64.980º
Number of points 3149
Step size 0.020
Rietveld refinement converged No
Alpha2 subtracted Yes
Background subtr. No
Data smoothed No
2theta correction 0.02º
Radiation X-rays
Wavelength 1.540598 Å

Matched Phases
Index Amount (%) Name Formula sum
A 52.4 hexagonal boron nitride BN
B 46.2 C18 F10 S2
C 1.4 Neon Ne
31.5 Unidentified peak area

A: hexagonal boron nitride (52.4 %)

Formula sum BN
Entry number 96-201-6171
Figure-of-Merit (FoM) 0.845012
Total number of peaks 14
Peaks in range 6
Peaks matched 3
Intensity scale factor 0.99
Space group P -6 m 2
Crystal system hexagonal
Unit cell a= 2.4982 Å c= 6.6357 Å
I/Icor 2.26
Calc. density 2.298 g/cm³
Reference Kurakevych Oleksandr O., Solozhenko Vladimir L., "Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction", Acta
Crystallographica Section C 63(9), i80-i82 (2007)

B: C18 F10 S2 (46.2 %)

Formula sum C18 F10 S2
Entry number 96-150-4619
Figure-of-Merit (FoM) 0.824421
Total number of peaks 500
Peaks in range 493
Peaks matched 98
Intensity scale factor 0.77
Space group P -1
Crystal system triclinic (anorthic)
Unit cell a= 7.6817 Å b= 7.7026 Å c= 13.0640 Å α= 84.422º β= 88.023 º γ= 70.592 º
I/Icor 1.99
Calc. density 2.153 g/cm³
Color yellow
Reference Wang Yongfeng, Parkin Sean R., Gierschner Johannes, Watson Mark D., "Highly fluorinated benzobisbenzothiophenes.", Organic letters
10(15), 3307-3310 (2008)

C: Neon (1.4 %)
Formula sum Ne
Entry number 96-901-1714
Figure-of-Merit (FoM) 0.710706
Total number of peaks 5
Peaks in range 2
Peaks matched 2
Intensity scale factor 0.04
Space group F m -3 m
Crystal system cubic
Unit cell a= 3.0770 Å
I/Icor 3.31
Calc. density 4.600 g/cm³
Reference Hemley R. J., Zha C. S., Jephcoat A. P., Mao H. K., Finger L. W., Cox D. E., "X-ray diffraction and equation of state of solid neon to 110 GPa
Locality: synthetic Sample: at T = 300 K and P = 64.4 GPa", Physical Review B - Condensed Matter 39, 11820-11827 (1989)

Candidates
Name Formula Entry No. FoM
CW 96-210-0655 0.7044
WC CW 96-210-2263 0.7044
CW 96-150-1520 0.7002
WC CW 96-210-2284 0.6996
WC CW 96-210-2251 0.6990
WC CW 96-210-2272 0.6982
Qusongite CW 96-901-3304 0.6979
(Tb0.35 Te0.65) Tb0.35 Te0.65 96-152-7221 0.6978
WC CW 96-210-2260 0.6977
WC CW 96-210-2293 0.6970
WC CW 96-210-2266 0.6963
WC CW 96-210-2287 0.6961
WC CW 96-210-2290 0.6959
WC CW 96-210-2299 0.6957
WC CW 96-210-2254 0.6952
WC CW 96-210-2245 0.6951
CW 96-210-0643 0.6948
WC CW 96-210-2296 0.6948
WC CW 96-210-2248 0.6927
CW 96-150-1537 0.6923
Rh Sc Rh Sc 96-231-0893 0.6916
WC CW 96-210-2269 0.6914
Nickel boride (2/1) B Ni2 96-101-0477 0.6909
Sn Te Sn Te 96-153-9754 0.6900
WC CW 96-210-2281 0.6897
WC CW 96-210-2275 0.6893
CW 96-150-1530 0.6891
CW 96-150-1568 0.6884
Ni2 B B Ni2 96-151-1266 0.6875
Ru Sc Ru Sc 96-152-3181 0.6864
C4 N4 Pd Zn 96-721-1958 0.6864
WC CW 96-210-2257 0.6850
WC CW 96-210-2302 0.6836
Ir Sc Ir Sc 96-153-7630 0.6822
La33.1 (H3 O)16 Al92 Si100 O384 (O H)23.3 (H2 O)143.9Al92 H359.1 La33.1 O567.2 Si100 96-152-1727 0.6804
CW 96-210-0646 0.6798
Cl K0.8 Na0.2 96-900-3172 0.6797
CW 96-150-1521 0.6796
B3 H12 K Zn 96-150-7135 0.6784
Silicon Si 96-210-4738 0.6783
Silicon Si 96-210-4749 0.6783
Silicon Si 96-901-1999 0.6783
CW 96-210-0640 0.6780
Silicon Si 96-900-8566 0.6780
Silicon Si 96-900-8567 0.6780
Silicon Si 96-901-3103 0.6775
CW 96-210-0658 0.6772
CW 96-230-0253 0.6772
Pb49 Tl18 O17 (Si100 Al92 O384) Al92 O401 Pb49 Si100 Tl18 96-152-2288 0.6766
Rb35.2 Na31.36 (Al96 Si96 O384) (H2 O)134.56 Al96 H269.12 Na31.36 O518.56 Rb35.2 Si9696-154-0966 0.6764
CW 96-150-1590 0.6763
Xe (O Se F5)2 F10 O2 Se2 Xe 96-153-6943 0.6760
and 150 others...

Search-Match
Settings
Reference database used COD-Inorg REV173445 2016.01.04
Automatic zeropoint adaptation Yes
Minimum figure-of-merit (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

Peak List
No. 2theta [º] d [Å] I/I0 FWHM Matched
1 5.49 16.0709 14.23 0.1200
2 5.60 15.7583 17.29 0.1200
3 5.71 15.4703 20.88 0.1200
4 5.90 14.9676 14.24 0.1200
5 6.04 14.6169 72.25 0.1200
6 6.14 14.3831 39.49 0.1200
7 6.45 13.6893 18.13 0.1200
8 6.57 13.4334 13.90 0.1200
9 6.79 13.0090 12.59 0.1200 B
10 7.22 12.2308 11.27 0.1200
11 7.93 11.1352 10.88 0.1200
12 9.10 9.7094 10.77 0.1200
13 12.09 7.3164 11.04 0.1200
14 12.32 7.1805 12.58 0.1200
15 13.84 6.3914 11.04 0.1200 B
16 14.09 6.2797 69.37 0.1200 B
17 18.38 4.8239 11.20 0.1200
18 19.89 4.4592 18.20 0.1200
19 20.06 4.4223 20.82 0.1200 B
20 20.18 4.3959 15.96 0.1200
21 20.31 4.3691 15.73 0.1200
22 20.46 4.3366 11.90 0.1200 B
23 20.66 4.2960 10.79 0.1200 B
24 20.92 4.2429 15.21 0.1200
25 21.10 4.2077 152.13 0.1200
26 21.32 4.1649 12.49 0.1200 B
27 22.12 4.0154 13.94 0.1200
28 22.30 3.9837 69.51 0.1200
29 23.29 3.8168 19.09 0.1200 B
30 23.81 3.7340 42.37 0.1200 B
31 24.32 3.6569 13.74 0.1200 B
32 24.44 3.6392 62.86 0.1200 B
33 25.67 3.4679 17.64 0.1200 B
34 26.58 3.3509 19.99 0.1200
35 26.89 3.3127 1000.00 0.1200 A
36 27.13 3.2847 21.97 0.1200 B
37 27.73 3.2147 16.77 0.1200
38 27.86 3.1998 21.67 0.1200
39 27.98 3.1863 78.56 0.1200 B
40 28.20 3.1618 800.56 0.1200 B
41 28.46 3.1333 77.60 0.1200 B
42 30.34 2.9437 30.22 0.1200
43 30.53 2.9255 27.90 0.1200 B
44 30.72 2.9077 45.29 0.1200 B
45 31.47 2.8407 15.92 0.1200
46 31.59 2.8296 18.81 0.1200 B
47 34.17 2.6222 11.16 0.1200 B
48 35.18 2.5489 13.34 0.1200 B
49 35.33 2.5388 32.55 0.1200 B
50 35.60 2.5200 15.02 0.1200 B
51 35.77 2.5080 12.36 0.1200
52 36.00 2.4927 12.03 0.1200 B
53 36.68 2.4481 18.34 0.1200 B
54 36.93 2.4319 18.24 0.1200
55 37.21 2.4142 13.88 0.1200 B
56 39.10 2.3017 10.77 0.1200 B
57 39.70 2.2683 40.89 0.1200 B
58 40.50 2.2254 28.54 0.1200 B
59 42.69 2.1163 86.04 0.1200 B
60 46.01 1.9709 44.08 0.1200 B
61 47.29 1.9208 12.28 0.1200 B
62 48.10 1.8901 14.45 0.1200 B
63 48.42 1.8784 19.16 0.1200
64 49.41 1.8431 11.72 0.1200 B
65 49.83 1.8286 12.14 0.1200
66 50.01 1.8223 19.41 0.1200 B
67 50.16 1.8172 13.98 0.1200
68 50.34 1.8111 104.78 0.1200 A,B
69 50.86 1.7938 18.32 0.1200 B
70 51.38 1.7768 22.38 0.1200 B,C
71 53.33 1.7164 13.22 0.1200 B
72 54.76 1.6751 11.10 0.1200 B
73 55.07 1.6663 47.84 0.1200 B
74 55.34 1.6587 15.21 0.1200 A
75 55.51 1.6542 11.48 0.1200
76 57.82 1.5934 11.09 0.1200
77 57.94 1.5904 17.66 0.1200 B
78 58.90 1.5667 10.83 0.1200 B
79 60.11 1.5379 75.50 0.1200 B,C
80 62.12 1.4931 10.76 0.1200 B
81 63.69 1.4600 11.64 0.1200 B
82 63.80 1.4576 13.27 0.1200 B
83 64.17 1.4501 15.81 0.1200

Rietveld Refinement using FullProf

Calculation was not run or did not converge.

Integrated Profile Areas

Based on calculated profile

Profile area Counts Amount

Overall diffraction profile 155057 100.00%
Background radiation 72273 46.61%
Diffraction peaks 82784 53.39%
Peak area belonging to selected phases 44695 28.83%
Peak area of phase A (hexagonal b oron nitride) 14936 9.63%
Peak area of phase B (C18 F10 S2) 29017 18.71%
Peak area of phase C (Neon) 742 0.48%
Unidentified peak area 48810 31.48%

Peak Residuals
Peak data Counts Amount
Overall peak intensity 1175 100.00%
Peak intensity belonging to selected phases 722 61.40%
Unidentified peak intensity 454 38.60%

Diffraction Pattern Graphics

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