Table 2.

Crystallographic and Rietveld structure refinement parameters of the samples LCO, LC1 and LC8 (Bruker data).

Data collection
Phase Name	${\mathrm{LiCoO}}_2$	${\mathrm{LiCoO}}_2$	${\mathrm{LiCoO}}_2$
Sample ID	LCO0 untreated	LCO1 water treated	LCO8 1 m HCl treated
Wavelength	Cu $K\alpha$	Cu $K\alpha$	Cu $K\alpha$
Temperature (K)	293(2)	293(2)	293(2)
Specimen size (mm2)	12×12	12×12	12×12
Particle morphology	Platelets	Platelets	Platelets
Specimen mounted in reflection mode
Measurement range	2θmin=16°	2θmin=16°	2θmin=16°
	2θmax=130°	2θmax=130°	2θmax=130°
Increment (deg)	0.015	0.015	0.015
hkl range	h=±2	h=±2	h=±2
	k=±2	k=±2	k=±2
	l=±15	l=±15	l=±15
Refinement
R-Bragg (%)	0.384	0.695	0.195
R weighted profile (%)	10.57	17.03	13.43
GOF	1.26	2.31	1.29
Scale	0.0653(3)	0.1096(8)	0.0667(4)
Background	Polynome	Polynome	Polynome
	15th degree	15th degree	15th degree
Absorption correction	None	None	None
Peak type	Modified pseudo-Voigt:	$a+b⁎\tan (\theta )+c/\cos (\theta )$
FWHM Gaussian
a	0.000(12)	0.001(40)	0.000(37)
b	0.035(11)	0.045(37)	0.084(28)
c	0.001(16)	0.001(48)	0.001(45)
Lorentzian
a	0(1)	0(2)	0(2)
b	2(4)	2(2)	2(6)
c	0(2)	0(2)	0(2)
w(i)=1/ $l_{\mathrm{obs}\left(i\right)}$ at each point i
Number of parameters	30	30	30
Preferred orientation correction	March–Dollase
(Dir 1 : 0 0 1)	0.869(2)	0.628(1)	0.968(3)
Crystal data
Lattice parameters
a (pm)	281.555(1)	281.539(2)	280.875(3)
c (pm)	1404.952(5)	1404.84(1)	1442.46(2)
Cell volume (pm3)	96.4537(9)	96.435(2)	98.551(3)
Cell parameters	31 Reflections	31 Reflections	31 Reflections
Symmetry	Rhombohedral, R$\overline{3}$m	Rhombohedral, R$\overline{3}$m	Rhombohedral, R$\overline{3}$m
Formula units	Z=3	Z=3	Z=3
Molecular weight (g/mole)	97.24	97.16	92.20
Crystal density (g/cm3)	5.022(7)	5.019(9)	4.696(11)
Crystal linear absorption coeff. (1/cm)	997.5	997.7	976.2