ISOMORPHOUS SUBSTITUTION IN NONLINEAR OPTICAL KTIOPO4 - NEUTRON POWDER DIFFRACTION STUDY OF KTIO(P0.5AS0.5)O4

被引:9
作者
CRENNELL, SJ [1 ]
CHEETHAM, AK [1 ]
JARMAN, RH [1 ]
THRASH, RJ [1 ]
KADUK, JA [1 ]
机构
[1] AMOCO RES CTR,NAPERVILLE,IL 60566
关键词
RIETVELD ANALYSIS; TIME-OF-FLIGHT NEUTRON DIFFRACTION; POWDER DIFFRACTION; NONLINEAR OPTICAL MATERIAL; 2ND-HARMONIC GENERATION;
D O I
10.1039/jm9920200383
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The structure of KTiO(P0.5As0.5)O4 has been determined by time-of-flight neutron diffraction: Pn2(1)a, a = 12.9695(8) angstrom, b = 10.6898(7) angstrom, c = 6.4932(4) angstrom, V = 900.2(2) angstrom 3, R(p) = 2.88, (w)R(p) = 4.23. The arsenic atoms enter the phosphorous sites in a random fashion. Powder second-harmonic generation (SHG) data reveal a correlation between the Ti(1)-O(9)-Ti(2) bond angle and the non-linear optical (NLO) coefficient in teh KTiOP1-xAsxO4 system.
引用
收藏
页码:383 / 386
页数:4
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