Difference between revisions of "11BM Calibration Sample: Lattice & Atomic Position Values"
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Lattice & Atomic Position Values are as follows: | Lattice & Atomic Position Values are as follows: | ||
Si (SRM | 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}} | |||
Revision as of 21:01, 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
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
