Match!

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
Plumboselite O5 Pb3 Se 96-901-5252 0.8131
Bismutocolumbite Bi Nb0.79 O4 Ta0.21 96-900-9420 0.8074
Ge1.1 Sb5.1 Te10.02 96-152-6607 0.8002
Ge Sb6 Te10 96-210-4807 0.7974
Tellurantimony Sb2 Te3 96-900-7591 0.7955
O5 Pb3 Se 96-400-1078 0.7937
Be Br2 96-152-6851 0.7837
Si O2 O2 Si 96-810-3514 0.7810
antimony telluride (8/9) Sb8 Te9 96-711-3355 0.7773
Sb2 Te3 96-153-0739 0.7768
Berlinite Al O4 P 96-900-6555 0.7736
ZG-6N-H C0.93 H3.17 Ga0.44 N0.56 O4 P Zn0.5696-704-4429 0.7671
Si O2 O2 Si 96-153-6410 0.7668
Ag F2 96-150-9321 0.7644
Cs3 (Au O2) (Cs Au)4 Au5 Cs7 O2 96-151-0554 0.7642
C12 H16 N2 O6 96-151-9682 0.7639
Cs0.1 Ni O2 96-154-1819 0.7626
Ge Sb4 Te7 96-400-1142 0.7588
Caesium hydrogenselenide - at 473K Cs H Se 96-101-0911 0.7575
Cs Se 96-901-4494 0.7575
Strontium Sr 96-901-2760 0.7566
C4 N5 S3 96-411-6670 0.7563
Li6 N Br3 Br3 Li6 N 96-152-8849 0.7547
ZG-6N-L C0.9 H3.06 Ga0.46 N0.54 O4 P Zn0.54 96-704-4431 0.7539
Ta6 Cl15 Cl15 Ta6 96-153-4241 0.7470
Bismuth tungstate Bi2 O6 W 96-210-8253 0.7470
Rb Ti I3 I3 Rb Ti 96-153-9990 0.7451
Bi5 O7 Br Bi5 Br O7 96-201-6341 0.7441
Russellite Bi2 O6 W 96-901-1800 0.7439
Dithallium(I) Tellurate(IV) O3 Te Tl2 96-430-6941 0.7431
O3 Te Tl2 96-810-1626 0.7431
Bismuth Lead Vanadate Bi O6 Pb2 V 96-720-4406 0.7429
Dithallium Tellurate(IV) O3 Te Tl2 96-430-6940 0.7425
Si O2 O2 Si 96-810-4323 0.7404
antimony telluride (4/3) Sb4 Te3 96-711-3354 0.7392
Germanium Tin Antimony Telluride Ge0.25 Sb2 Sn0.75 Te4 96-703-1380 0.7389
Bi94 Nb32 O221 96-153-4052 0.7379
Quartz O2 Si 96-901-2606 0.7363
germanium tin antimony telluride Ge0.6 Sb2 Sn0.4 Te4 96-703-1377 0.7361
Eu2 (Ge S4) Eu2 Ge S4 96-152-6773 0.7359
U Y O4 O4 U Y 96-152-8341 0.7357
Germanium Tin Antimony Telluride Ge0.75 Sb2 Sn0.25 Te4 96-703-1376 0.7352
Silver samarium bis(molybdate) Ag Mo2 O8 Sm 96-200-2611 0.7338
Germanium Tin Antimony Telluride Ge0.5 Sb2 Sn0.5 Te4 96-703-1379 0.7327
Sb (Nb O4) Nb O4 Sb 96-153-0607 0.7323
Cs Cr I3 Cr Cs I3 96-210-6867 0.7314
Valentinite O3 Sb2 96-900-8063 0.7309
Sr3 (Ge2 As4) As4 Ge2 Sr3 96-152-8463 0.7264
Ag Eu Mo2 O8 96-703-6561 0.7263
Pb Bi2 (Nb2 O9) Bi2 Nb2 O9 Pb 96-153-1667 0.7250
Bi2 Ge2 Te5 96-210-2850 0.7234
Cs3 Cr2 I9 Cr2 Cs3 I9 96-153-0277 0.7229
and 354 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 28.40 3.1427 1000.00 0.2842
4 42.58 2.1233 37.36 1.0510
5 58.78 1.5709 129.70 0.2836

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 72 100.00%
Peak intensity belonging to selected phases 31 42.32%
Unidentified peak intensity 42 57.68%

Diffraction Pattern Graphics

Match! C opyright © 2003-2019 C RYSTAL IMPAC T, Bonn, Germany