Calculation of lattice parameter “a”

Assuming that the diffraction angle of the (110) peak of BTO in the XRD pattern is 32.17°, and
using Bragg's Law:
nλ=2 d sin θ
where n is the order of the reflection (n=1 for the (110) peak), λ is the X-ray wavelength (usually
Cu Kα radiation with λ = 1.5418 Å), d is the lattice spacing along the (110) plane, and θ is the
Bragg angle.
Rearranging the equation to solve for "d", we get:
d=nλ/(2sin θ)
Substituting the values:
d=(1 x 1.5418 Å )/(2 ×sin 32.17 °)
d=1.405 Å
The lattice spacing "d" represents the distance between the adjacent (110) planes of BTO. The
lattice parameter "a" can be calculated using the formula:
a=d √ 2
Substituting the value of "d" we obtained:
a=1.405 Å x √ 2
a=1.405 Å x 1.414
a=1.988 Å
The value we obtained above is the half value of the lattice parameter, which represents the
distance between the adjacent oxygen atoms along the (001) crystallographic direction in the
perovskite structure. To obtain the full value of "a", we multiply this value by 2:
a=1.988 Å x 2
a=3.986 Å

The term "JCPDS card" refers to a specific type of reference card or database used in materials
science and crystallography. JCPDS stands for "Joint Committee on Powder Diffraction
Standards," which was an organization that maintained a comprehensive collection of
diffraction patterns and crystallographic data for various materials. The JCPDS cards were
physical cards or sheets that contained information about the crystal structure and diffraction
pattern of a specific material. The cards typically included details such as the chemical formula,
crystal symmetry, lattice parameters, and diffraction peaks of the material. Basically, you make
a comparison between your analyzed sample and the reference sample to make a conclusion.
Also, from other earlier researches (listed below) I made similar conclusions about crystal
structure and the lattice parameter.

Kobayashi, Y., Hernandez, O. J., Sakaguchi, T., Yajima, T., Roisnel, T., Tsujimoto, Y., ... &
Kageyama, H. (2012). An oxyhydride of BaTiO3 exhibiting hydride exchange and
electronic conductivity. Nature materials, 11(6), 507-511.
Nayak, S., Sahoo, B., Chaki, T.K. and Khastgir, D., 2014. Facile preparation of uniform barium
titanate (BaTiO 3) multipods with high permittivity: impedance and temperature
dependent dielectric behavior. RSC Advances, 4(3), pp.1212-1224.

From Kobayashi et al.2012 (reference above) we note that the lattice parameter reported by for
BaTiO3 was 4.0236 Å. From this, I then calculated the percent deviation.

Calculating percent deviation

|3.986−4.0236|
×100 %=4 %
4.0236

* I made an error, the calculated lattice parameter for BTO should be 0.04 giving a (4%)
deviation from the theoretical value (4.0236).