11BM Calibration Sample: Lattice & Atomic Position Values

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

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