Simulated and experimental basal spacing for CTMAB intercalated Na–Mt at different loading levels.

Loading level (this work)	Simulation (Å) (this work)	Experiment (Å) (this work)	Loading level40	Experiment40 (Å)
0.33CEC	14.38	14.71	0.2CEC	14
0.66CEC	16.39	18.16	0.4CEC	16
1.00CEC	19.41	19.61	0.6CEC	18
1.33CEC	23.86	19.87/40.11	1.0CEC	21
1.66CEC	27.21	19.87/40.11	1.5CEC	19/38
2.00CEC	30.82	19.87/40.11	2.0CEC	19/38
2.66CEC	38.55	19.87/40.11	2.5CEC	19/38