초록문의 abstract@kcsnet.or.kr

결제문의 member@kcsnet.or.kr

현재 가능한 작업은 아래와 같습니다.
  • 09월 12일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제110회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Crystal Structure, Site-Preference and Structural Correlation of Intermetallic Compound EuZn1.18 (2)In2.82

2012년 9월 5일 15시 24분 09초
INOR.P-348 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
10월 17일 (수요일) 16:00~19:00
저자 및
남근우, 유태수1
충북대학교 화학부 화학과, Korea
1충북대학교 화학과, Korea
EuZn1.18 (2)In2.82 has been synthesized using the In-flux method and characterized by both powder and single-crystal X-ray diffractions. The title compound crystallized in the tetragonal space group I4/mmm (BaAl4-type structure, Pearson code tI10) with lattice parameters of a = 4.5463(3) Angstrom, c = 12.0279(18) Angstrom. The 18-vertex Fedorov polyhedron composed of Zn and In atoms is considered as a basic building unit for the crystal structure, where Eu atoms are embedded at the center of the polyhedron. Zn and In atoms show the specific site-preference between two available anionic sites on the Fedorov polyhedron, which is more substantially influenced by the size factor than the electronegativities, and only the apical-site displays the mixed-occupation of Zn and In. The crystal structure of EuZn1.18 (2)In2.82 can be considered as a product of the structural transformation from the monoclinic EuIn4-type structure to the tetragonal BaAl4-type structure caused by In substitution with Zn, which can be understood based on the ionic size ratios between anionic elements. Theoretical investigations using tight-binding linear muffin-tin orbital (TB-LMTO) method provide understandings for the observed site-preference between anionic elements and suggest a possibly wide phase-width for the title compound.