Rietveld refinement to file(s) 20200218_E9_Olivine-0.xy 20200218_E9_Olivine-1.xy 20200218_E9_Olivine-2.xy
BGMN version 4.2.22, 16062 measured points, 508 peaks, 20 parameters
Start: Sat May 16 12:26:40 2020; End: Sat May 16 12:27:14 2020
64 iteration steps

Rp=21.16%  Rpb=98.42%  R=43.68%  Rwp=31.88% Rexp=4.20%
Durbin-Watson d=1.36
1-rho=94.3%

Global parameters and GOALs
****************************
QalphaAl2O3=0
Qettringite=1.00000
EPS2=0.00549+-0.00018

Local parameters and GOALs for phase alphaAl2O3
******************************************************
SpacegroupNo=167
HermannMauguin=R-32/c
XrayDensity=4.002
Rphase=100.00%
UNIT=NM
A=UNDEF
C=UNDEF
B1=UNDEF
GrainSize(1,1,1)=UNDEF
GEWICHT=0.0
Atomic positions for phase alphaAl2O3
---------------------------------------------
 12     0.0000  0.0000  0.3522     E=(AL+3(0.5000),AL(0.5000))
 18     0.3062  0.0000  0.2500     E=(O-2(0.5000),O(0.5000))

Local parameters and GOALs for phase Ettringite
******************************************************
SpacegroupNo=159
HermannMauguin=P31c
XrayDensity=1.731
Rphase=42.19%
UNIT=NM
A=1.10000
C=2.18000
B1=0.00800000
GEWICHT=0.0081+-0.0011
Atomic positions for phase Ettringite
---------------------------------------------
  2     0.0000  0.0000  1.0000     E=(AL+3(1.0000))
  2     0.0000  0.0000  0.7500     E=(AL+3(1.0000))
  6     0.0090  0.8160  0.8750     E=(CA+2(1.0000))
  6     0.9940  0.1890  0.1250     E=(CA+2(1.0000))
  6     0.9940  0.1340  0.9480     E=(O-2(1.0000))
  6     0.9960  0.8650  0.0570     E=(O-2(1.0000))
  6     0.0040  0.1460  0.8050     E=(O-2(1.0000))
  6     0.0040  0.8760  0.1980     E=(O-2(1.0000))
  6     0.0000  0.3480  0.0470     E=(O-2(1.0000))
  6     0.0100  0.6630  0.9580     E=(O-2(1.0000))
  6     0.9970  0.3450  0.1990     E=(O-2(1.0000))
  6     0.9960  0.6550  0.7880     E=(O-2(1.0000))
  6     0.2630  0.4050  0.6180     E=(O-2(1.0000))
  6     0.7440  0.5930  0.3740     E=(O-2(1.0000))
  6     0.2590  0.4060  0.1260     E=(O-2(1.0000))
  6     0.7680  0.5980  0.8700     E=(O-2(1.0000))
  2     0.3333  0.6667  0.4200     E=(O-2(1.0000))
  2     0.3333  0.6667  0.8140     E=(O-2(1.0000))
  2     0.3333  0.6667  0.0700     E=(O-2(1.0000))
  6     0.1950  0.6420  0.5180     E=(O-2(1.0000))
  6     0.1950  0.6200  0.7230     E=(O-2(1.0000))
  6     0.1920  0.5850  0.9820     E=(O-2(1.0000))
  6     0.1970  0.6370  0.2430     E=(O-2(0.6667))
  2     0.3333  0.6667  0.4910     E=(S(1.0000))
  2     0.3333  0.6667  0.7500     E=(S(1.0000))
  2     0.3333  0.6667  0.0090     E=(S(1.0000))