humbleBragg

XRD Setup

Unit Cell a b c alpha beta gamma

Structure Definition

Import CIF Choose CIF No file chosen

CIF status No CIF loaded CIF symmetry used Manual entry (dropdown space group) Atom Input Space Group Structure Used 8 atoms

Atoms: Full Basis

Enter every atom in the full unit-cell basis. No symmetry expansion is applied.

Format: Element x y z [B=value] [fp=value] [fpp=value]. Charged labels such as Fe3+ are accepted. Neutral-atom form factors are available for H through U.

Beam and Scan Mode Scan Plot View RSM Content Wavelength Energy 8.05 keV 2theta min 2theta max Omega (deg) Theta (deg) Detector 2theta (deg) Pole h Pole k Pole l Psi max (deg) Peak width Max hkl Rocking acceptance Corrections Lorentz-polarization Simulation Auto-update heavy calculations Calculation Powder theta-2theta

Crystal Orientation

Sets the single-crystal orientation, or the preferred crystallite alignment for textured powder. Disabled for ideal powder scans.

Roll Pitch Yaw Texture strength (%) Mosaic spread (deg)

Simulated data

Powder Pattern

0 peaks

hkl	d	2theta	Relative I	Err	Azim.

Structure view

Crystal Orientation and Geometry

0 / 0 / 0

Inspect Cell

Snap to crystal orientation

Drag to inspect the full basis

Scattering Geometry

ideal powder 2theta scan