I. Harrington et al., X-RAY-DIFFRACTION STUDY OF THE INFLUENCE OF HYDROGEN ON THE CRYSTALLOGRAPHIC STRUCTURE OF HXYBA2CU3O7-DELTA, Physica. C, Superconductivity, 226(3-4), 1994, pp. 255-261
X-ray diffraction was performed on powder samples of HxYBa2Cu3O7-delta
where delta almost-equal-to 0.07 and 0 less-than-or-equal-to x less-t
han-or-equal-to 1.52. A comparison is made with the crystallographic b
ehavior upon oxygen extraction. The following features were found: (1)
In the orthorhombic phase the a and b lattice parameters were consist
ent with the assumption that the addition of two hydrogen atoms is equ
ivalent to the removal of one oxygen. (2) The orthorhombic-to-tetragon
al transition takes place at x almost-equal-to 0.8.(3) The a parameter
in the tetragonal phase is larger when hydrogen is added than when ox
ygen is removed. (4) While c increases monotonically upon oxygen extra
ction, it decreases upon hydrogen addition both in the orthorhombic an
d tetragonal phases such that when the hydrogen concentration reaches
x almost-equal-to 1.0, then a = b = c/3. (5) At x = 1.0, the Cu (2) an
d Cu (1) planes are evenly spaced, c/3 apart. These phenomena are disc
ussed in the context of the superconducting properties of the material
upon oxygen removal or hydrogen addition. In addition, comparison bet
ween a pellet and a powder is made, which indicates that some surface
oxygen may be removed upon hydriding.