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Phase Analysis Report

Sample:
Sample Data
File name 22b_Theta_2-Theta.raw
File path C:/Users/AQodS/Downloads/22b-221122
Data collected Nov 22, 2022 05:41:38
Data range 3.000º - 90.000º
Original data range 3.000º - 90.000º
Number of points 4351
Step size 0.020
Rietveld refinement converged No
Alpha2 subtracted No
Background subtr. No
Data smoothed Yes
Radiation X-rays
Wavelength 1.541874 Å

Candidates
Name Formula Entry No. FoM
Bismutocolumbite Bi Nb0.79 O4 Ta0.21 96-900-9420 0.8065
Plumboselite O5 Pb3 Se 96-901-5252 0.7991
Ge1.1 Sb5.1 Te10.02 96-152-6607 0.7861
Ge Sb6 Te10 96-210-4807 0.7833
O5 Pb3 Se 96-400-1078 0.7830
Bi (Nb O4) Bi Nb O4 96-153-2719 0.7829
Tellurantimony Sb2 Te3 96-900-7591 0.7814
As2 Li4 O9 V 96-434-5025 0.7786
Be Br2 96-152-6851 0.7729
Si O2 O2 Si 96-810-3514 0.7703
Berlinite Al O4 P 96-900-6555 0.7654
antimony telluride (8/9) Sb8 Te9 96-711-3355 0.7632
Sb2 Te3 96-153-0739 0.7628
Sb (Nb O4) Nb O4 Sb 96-153-0607 0.7588
C12 H16 N2 O6 96-151-9682 0.7586
Si O2 O2 Si 96-153-6410 0.7560
Bi5 O7 Br Bi5 Br O7 96-201-6341 0.7555
ZG-6N-H C0.93 H3.17 Ga0.44 N0.56 O4 P Zn0.5696-704-4429 0.7545
Ag F2 96-150-9321 0.7536
Cs3 (Au O2) (Cs Au)4 Au5 Cs7 O2 96-151-0554 0.7534
C4 H3 F N2 O2 96-500-0079 0.7528
K2 Mg (V2 O7) K2 Mg O7 V2 96-403-1480 0.7521
Cs0.1 Ni O2 96-154-1819 0.7518
C4 N5 S3 96-411-6670 0.7512
O3 Te Tl2 96-810-1626 0.7508
Dithallium(I) Tellurate(IV) O3 Te Tl2 96-430-6941 0.7507
Dithallium Tellurate(IV) O3 Te Tl2 96-430-6940 0.7502
Ge Sb4 Te7 96-400-1142 0.7480
Caesium hydrogenselenide - at 473K Cs H Se 96-101-0911 0.7468
Cs Se 96-901-4494 0.7468
Strontium Sr 96-901-2760 0.7459
Thallium titanium niobium tetraoxide difluorideF2 Nb O4 Ti Tl 96-100-0171 0.7453
F Nb0.5 O2 Ti0.5 Tl0.5 96-901-6447 0.7453
ZG-6N-L C0.9 H3.06 Ga0.46 N0.54 O4 P Zn0.54 96-704-4431 0.7442
Li6 N Br3 Br3 Li6 N 96-152-8849 0.7439
Ta6 Cl15 Cl15 Ta6 96-153-4241 0.7404
Bismuth tungstate Bi2 O6 W 96-210-8253 0.7334
C7 H14 I N O4 96-154-7710 0.7330
Rb Ti I3 I3 Rb Ti 96-153-9990 0.7324
Zippeite H2 N4 O21 S2 U4 96-900-4757 0.7317
Bismuth Lead Vanadate Bi O6 Pb2 V 96-720-4406 0.7305
Russellite Bi2 O6 W 96-901-1800 0.7305
Germanium Tin Antimony Telluride Ge0.25 Sb2 Sn0.75 Te4 96-703-1380 0.7263
Sr3 (Ge2 As4) As4 Ge2 Sr3 96-152-8463 0.7260
Quartz O2 Si 96-901-2606 0.7256
Bi94 Nb32 O221 96-153-4052 0.7251
antimony telluride (4/3) Sb4 Te3 96-711-3354 0.7251
U Y O4 O4 U Y 96-152-8341 0.7249
germanium tin antimony telluride Ge0.6 Sb2 Sn0.4 Te4 96-703-1377 0.7234
Eu2 (Ge S4) Eu2 Ge S4 96-152-6773 0.7232
B (As O4) As B O4 96-810-3889 0.7227
Germanium Tin Antimony Telluride Ge0.75 Sb2 Sn0.25 Te4 96-703-1376 0.7211
and 386 others...

Search-Match
Settings
Reference database used COD-Inorg REV218120 2019.09.10
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
1 12.34 7.1729 82.32 0.3324
2 19.52 4.5477 126.73 0.5940
3 24.00 3.7080 4.87 0.4041
4 28.40 3.1427 1000.00 0.2842
5 42.58 2.1233 37.36 1.0503
6 58.78 1.5709 101.16 0.5358

Integrated Profile Areas

Based on calculated profile

Profile area Counts Amount

Overall diffraction profile 199695 100.00%
Background radiation 184942 92.61%
Diffraction peaks 14753 7.39%
Peak area belonging to selected phases 0 0.00%
Unidentified peak area 14753 7.39%

Peak Residuals
Peak data Counts Amount
Overall peak intensity 75 100.00%
Peak intensity belonging to selected phases 32 42.32%
Unidentified peak intensity 44 57.68%

Diffraction Pattern Graphics

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