TY - JOUR
T1 - Structural study on rhombohedral nonstoichiometric solid solution, SryU1-yO2+x-use of an electrostatic method for atom parameter and stability calculations
AU - Fujino, Takeo
AU - Sato, Nobuaki
AU - Yamashita, Toshiyuki
AU - Tagawa, Hiroaki
PY - 1991/1/1
Y1 - 1991/1/1
N2 - The region of existence of rhombohedral nonstoichiometric solid solution, SrymU1-yO2+x a=7.7413 A ̊,α=59.31°), was studied in relation with y and x values. Space group was determined as R-m by X-ray diffractometry. Seven variable atom parameters of three 2c and two 6h oxygen atoms were obtained both by the R-factor minimization and electrostatic Madelung constant maximization methods. The maximized Madelung constant showed peaks near the observed rhombohedral angle, which suggests the applicability of this method for stability calculation of ionic nonstoichiometric compounds.
AB - The region of existence of rhombohedral nonstoichiometric solid solution, SrymU1-yO2+x a=7.7413 A ̊,α=59.31°), was studied in relation with y and x values. Space group was determined as R-m by X-ray diffractometry. Seven variable atom parameters of three 2c and two 6h oxygen atoms were obtained both by the R-factor minimization and electrostatic Madelung constant maximization methods. The maximized Madelung constant showed peaks near the observed rhombohedral angle, which suggests the applicability of this method for stability calculation of ionic nonstoichiometric compounds.
UR - http://www.scopus.com/inward/record.url?scp=0026394096&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0026394096&partnerID=8YFLogxK
U2 - 10.1016/0167-2738(91)90087-R
DO - 10.1016/0167-2738(91)90087-R
M3 - Article
AN - SCOPUS:0026394096
VL - 49
SP - 201
EP - 210
JO - Solid State Ionics
JF - Solid State Ionics
SN - 0167-2738
IS - C
ER -