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

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Calibration of the wavelength at 11-BM is performed using a mixture of NIST standard reference materials (SRMs).
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).
As of 2011, the calibration sample is a mixture of ~ 70 wt% Si (SRM 640d) and ~ 30 wt% Al2O3 (SRM 676).


Lattice & Atomic Position Values are as follows:
Lattice & Atomic Position Values are as follows:


  Si (SRM 660d)
  Si (SRM 640d)
  Space Group: F d -3 m
  Space Group: F d -3 m
  Lattice: 5.431590 5.431590 5.431590  90.0000 90.0000 90.0000
  Lattice: 5.431590 5.431590 5.431590  90.0000 90.0000 90.0000
Line 17: Line 17:
  Atom2: O @ x = 0.307804, y = 0, z = 1/4
  Atom2: O @ x = 0.307804, y = 0, z = 1/4


 
As of 13 February 2013, we started using the revised certification for 640d,
0.307804 0.000000 0.250000
for which the parameters are
 
Si (SRM 640d)
 
Space Group: F d -3 m
 
  Lattice: 5.431230 5.431230 5.431230 90.0000 90.0000 90.0000
runAddPhase {SRM Alumina 676a} {R -3 c} 4.7590914 4.7590914 12.991779 90.0000 90.0000 120.0000
  Atom1: Si @ x = 1/8, y = 1/8, z = 1/8
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

Latest revision as of 22:46, 14 February 2013

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 640d) and ~ 30 wt% Al2O3 (SRM 676).

Lattice & Atomic Position Values are as follows: 

Si (SRM 640d)
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

As of 13 February 2013, we started using the revised certification for 640d, for which the parameters are 

Si (SRM 640d)
Space Group: F d -3 m
Lattice: 5.431230 5.431230 5.431230  90.0000 90.0000 90.0000
Atom1: Si @ x = 1/8, y = 1/8, z = 1/8
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