Difference between revisions of "11BM Calibration Sample: Lattice & Atomic Position Values"

From Ug11bm
Jump to navigationJump to search
Line 16: Line 16:
  Atom1: Al @ x = 0, y = 0, z = 0.351869
  Atom1: Al @ x = 0, y = 0, z = 0.351869
  Atom2: O @ x = 0.307804, y = 0, z = 1/4
  Atom2: O @ x = 0.307804, y = 0, z = 1/4
0.307804 0.000000 0.250000
runAddPhase {SRM Alumina 676a} {R -3 c}  4.7590914 4.7590914 12.991779  90.0000 90.0000 120.0000
runAddAtoms 2 {{AL 0.000000 0.000000 0.351869 1.000000 AL1 I 0.011021} {O 0.307804 0.000000 0.250000 1.000000 O2 I 0.009540}}
Wt. Frac.:    0.29019
a
x         y     z 
Si 0.125000  0.125000  0.125000
Wt. Frac.:    0.70981 
a        b        c   
4.759728  4.759728 12.993473
x         y     z 
Al 0.000000  0.000000  0.352011
O 0.306702  0.000000  0.250000

Revision as of 21:03, 1 December 2011

Calibration of the wavelength at 11-BM is performed using a mixture of NIST standard reference materials (SRMs).

As of 2011, the calibration sample is a mixture of ~ 70 wt% Si (SRM 640c) and ~ 30 wt% Al2O3 (SRM 676).

Lattice & Atomic Position Values are as follows: 

Si (SRM 660d)
Space Group: F d -3 m
Lattice: 5.431590 5.431590 5.431590  90.0000 90.0000 90.0000
Atom1: Si @ x = 1/8, y = 1/8, z = 1/8



Al2O3 (SRM 676a)
Space Group: R -3 c
Lattice: 4.7590914 4.7590914 12.991779  90.0000 90.0000 120.0000
Atom1: Al @ x = 0, y = 0, z = 0.351869
Atom2: O @ x = 0.307804, y = 0, z = 1/4
Retrieved from "https://wiki-ext.aps.anl.gov/ug11bm/index.php?title=11BM_Calibration_Sample:_Lattice_%26_Atomic_Position_Values&oldid=342"