Sample Name/Code : RG-000076

Preparation : NO/as received (powder sample)

Task : Quantitative Phase Analysis
Instrument : D8-Advance, LPTB-LIPI (Bandung)
Elemental Analysis : NO (Structure could be share by multiple phases)
Phase ID software : EVA v5.1
Database : COD
QPA Software : Bruker-Topas v6
Application Scientist : Dr. Maykel Manawan

Pic 1. Qualitative analysis result with Bruker-EVA

Pic 2. Rietveld quantitative analysis with Bruker-Topas

 Analysis Report
Data Files
Data file 1 : C:\TOPAS6\MyWork\SILO\RG-000076.raw

Global R-Values
Rexp : 8.63 Rwp : 14.96 Rp : 10.90 GOF : 1.73
Rexp`: 3.35 Rwp`: 5.80 Rp` : 5.78 DW : 0.88

Quantitative Analysis - Rietveld

Phase 1 : "Quartz, syn" 50.937 %
Phase 2 : Muscovite-2M1 46.351 %
Phase 3 : "Rutile, syn" 1.598 %
Phase 4 : "Calcium Manganese Sulfide" 0.300 %
Phase 5 : Graphite-2H 0.000 %
Phase 6 : "Graphite-3R, syn" 0.814 %

Background
Chebychev polynomial, Coefficient 0 -89.48141
1 -165.048
2 58.70611
3 99.08206
4 78.5502

Instrument
Primary radius (mm) 280
Secondary radius (mm) 280
Linear PSD 2Th angular range (°) 3
FDS angle (°) 0.35
Full Axial Convolution
Filament length (mm) 12
Sample length (mm) 15
Receiving Slit length (mm) 12
Primary Sollers (°) 2.5
Secondary Sollers (°) 2.5

Corrections
Specimen displacement -0.00970699
LP Factor 0

Structure 1
Phase name Quartz, syn
R-Bragg 1.284
Spacegroup 180
Scale 2.30420e-003
Cell Mass 180.253
Cell Volume (Å^3) 113.25330
Wt% - Rietveld 50.937
Double-Voigt|Approach
Cry size Lorentzian 443.6
Cry size Gaussian 118.3
k: 1 LVol-IB (nm) 87.450
k: 0.89 LVol-FWHM (nm) 91.517
Crystal Linear Absorption Coeff. (1/cm) 94.651
Crystal Density (g/cm^3) 2.643
Lattice parameters
a (Å) 4.9168712
 c (Å) 5.4093188

Site Np x y z Atom Occ Beq

s1 6 0.47000 0.00000 0.00000 Si 0.5 0.5
s2 12 0.27000 0.42000 0.55000 O 0.5 0.5

Structure 2
Phase name Muscovite-2M1
R-Bragg 4.518
Spacegroup 15
Scale 2.83286e-005
Cell Mass 1610.880
Cell Volume (Å^3) 937.96783
Wt% - Rietveld 46.351
Double-Voigt|Approach
Cry size Lorentzian 200.0
k: 1 LVol-IB (nm) 127.324
k: 0.89 LVol-FWHM (nm) 178.000
Crystal Linear Absorption Coeff. (1/cm) 138.968
Crystal Density (g/cm^3) 2.852
Lattice parameters
a (Å) 5.2026012
b (Å) 9.0244613
c (Å) 20.0800556
beta (°) 95.78674

Site Np x y z Atom Occ Beq

s1 8 0.75690 0.31270 0.15850 O 1 0.5
s2 8 0.24560 0.36790 0.16960 O 1 0.5
s3 8 0.41470 0.09300 0.16850 O 1 0.5
s4 8 0.38150 0.24940 0.05390 O 1 0.5
s5 8 0.96290 0.44210 0.05420 O 1 0.5
s6 8 0.95480 0.06170 0.05020 O 0.98 0.5
F 0.02 0.5
s7 8 0.45190 0.25790 0.13604 Si 0.7425 0.5
Al 0.2575 0.5
s8 8 0.96520 0.43040 0.13582 Si 0.7425 0.5
Al 0.2575 0.5
s9 4 0.75000 0.25000 0.00000 Al 0.045 0.5
Fe 0.0036 0.5
Mg 0.0015 0.5
Ti 0.001 0.5
s10 8 0.24940 0.08320 0.99995 Al 0.913 0.5
Fe 0.073 0.5
Mg 0.029 0.5
Ti 0.0195 0.5
s11 4 0.00000 0.09930 0.25000 K 0.84 0.5
Na 0.13 0.5
Ba 0.01 0.5

Structure 3
Phase name Rutile, syn
R-Bragg 5.175
Spacegroup 136
Scale 1.48161e-004
Cell Mass 158.966
Cell Volume (Å^3) 62.66325
Wt% - Rietveld 1.598
Double-Voigt|Approach
 Cry size Lorentzian 80.0
k: 1 LVol-IB (nm) 50.930
k: 0.89 LVol-FWHM (nm) 71.200
Crystal Linear Absorption Coeff. (1/cm) 521.831
Crystal Density (g/cm^3) 4.213
Lattice parameters
a (Å) 4.5975769
c (Å) 2.9645238

Site Np x y z Atom Occ Beq

s1 2 0.00000 0.00000 0.00000 Ti 0.992 0.4905
s2 4 0.30496 0.30496 0.00000 O 1 0.4079

Structure 4
Phase name Calcium Manganese Sulfide
R-Bragg 8.739
Spacegroup 225
Scale 5.36047e-006
Cell Mass 324.236
Cell Volume (Å^3) 159.28871
Wt% - Rietveld 0.300
Double-Voigt|Approach
Cry size Lorentzian 277.6
k: 1 LVol-IB (nm) 176.710
k: 0.89 LVol-FWHM (nm) 247.042
Crystal Linear Absorption Coeff. (1/cm) 608.157
Crystal Density (g/cm^3) 3.380
Lattice parameters
a (Å) 5.4207786

Site Np x y z Atom Occ Beq

s1 4 0.00000 0.00000 0.00000 Ca 0.4 0.5
Mn 0.6 0.5
s2 4 0.50000 0.50000 0.50000 S 1 0.5

Structure 5
Phase name Graphite-2H
R-Bragg 14.620
Spacegroup P63/mmc
Scale 1.40641e-008
Cell Mass 48.043
Cell Volume (Å^3) 35.52675
Wt% - Rietveld 0.000
Double-Voigt|Approach
Cry size Lorentzian 1000.0
k: 1 LVol-IB (nm) 636.620
k: 0.89 LVol-FWHM (nm) 890.000
Crystal Linear Absorption Coeff. (1/cm) 10.103
Crystal Density (g/cm^3) 2.246
Lattice parameters
a (Å) 2.4647000
c (Å) 6.7530000

Site Np x y z Atom Occ Beq

C_1 2 0.00000 0.00000 0.25000 C 1 0.5
C_2 2 0.33333 0.66667 0.25000 C 1 0.5

Structure 6
 Phase name Graphite-3R, syn
R-Bragg 4.612
Spacegroup 166
Scale 1.98809e-004
Cell Mass 72.064
Cell Volume (Å^3) 52.45655
Wt% - Rietveld 0.814
Double-Voigt|Approach
Cry size Lorentzian 1000.0
k: 1 LVol-IB (nm) 636.620
k: 0.89 LVol-FWHM (nm) 890.000
Crystal Linear Absorption Coeff. (1/cm) 10.264
Crystal Density (g/cm^3) 2.281
Lattice parameters
a (Å) 2.4561000
c (Å) 10.0410000

Site Np x y z Atom Occ Beq

s1 6 0.00000 0.00000 0.16400 C 1 0.5