Skip to main content
. 2021 Nov 3;9:733321. doi: 10.3389/fchem.2021.733321

TABLE 3.

The T OD in K computed with different methods: modeling disordered phase by defect fluorite (PY-DF), weberite (PY-WB) and defect fluorite/weberite mixture by the two state model of Finkeldei et al. (2017) (PY-WB/DF), and measured for selected pyrochlore compounds. In parentheses we provide the estimated configurational entropy of disordered phase in J/K/mol.

Compound  Nd2Zr2O7 Gd2Hf2O7
PY-DF 2,310 (48.1) 2,252 (48.1)
PY-WB 3,452 (11.5) 2039 (11.5)
PY-WB/DF 2,405 (38.1) 2,327 (26.3)
exp 2,573 2,723