TiNb2O7

Date: 2023/03/31

Publication: 10.1038/s41427-024-00581-5

Composition: TiNb2O7

Crystal structure: Wadsley–Roth

Density: 4.323 g/cm3

Comments:

Reference material

X-ray diffraction data

S(Q)

G(r)

Bragg Profile

Incident energy: 61 keV

Q range: 0.2-25 Å−1

Qmax for FTR: 25 Å−1

Modification function: Lorch

Comment:

Incident energy for Bragg profile: 15.5 keV

Neutron diffraction data

S(Q)

G(r)

Incident energy: Time of flight

Q range: 0.4-34.6 Å−1

Qmax for FTR: 34.6 Å−1

Modification function:

Comment:

3D atomic configuration

Simulation code: RMCProfile (ver. 6.7)

Cell dimension: 40.7574 Å, 22.81224 Å, 83.28600 Å, 90 deg., 120.215 deg., 90 deg.

Comment: