DeLTA Lab — RIXS Crystallography Tool

Q‑Point Calculator

Elastic scattering, fixed E𝑖. Enter lattice parameters, scattering geometry, and sample angles to compute Q vectors, reciprocal-space trajectories, and Brillouin zone.

01 Lattice Parameters Real-space unit cell

a (Å) First edge length

b (Å) Second edge length

c (Å) Third edge length

α (°) Angle between b and c

β (°) Angle between a and c

γ (°) Angle between a and b

Repeat a/b/c (3D view)

02 Incident Energy E𝑖 Fixed-Ei elastic scattering

Energy value & units

Energy in eV — converted to wavelength via λ = 12398/E (Å)

03 Scattering Geometry Reciprocal lattice vectors defining the scattering plane

u — primary direction [h k l] θ = 0 when u is along k𝑖

v — secondary direction [h k l] Second vector in scattering plane

04 Spectrometer Angles 4-circle geometry

2θ angles (°) List of detector 2θ positions

θ sample angles (°) List of sample θ angles to evaluate

Results

Lattice & Geometry Real & Reciprocal

Wavelength — Å

Real Space

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Reciprocal Space

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degrees

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Q Vectors Per (θ, 2θ) pair

2θ (°)	θ (°)	h	k	l	\|Q\| (Å⁻¹)

Q-Space Trajectory Reciprocal plane + |Q| vs θ

Bragg Peak Reference Accessible reflections at λ

h	k	l	d (Å)	2θ (°)	\|Q\| (Å⁻¹)

Real Space Lattice 3D — Drag to rotate

Brillouin Zone 3D — Drag to rotate