ISOMORPHOUS SUBSTITUTION IN NONLINEAR OPTICAL KTIOPO4 - POWDER DIFFRACTION AND MAGIC ANGLE SPINNING NUCLEAR-MAGNETIC-RESONANCE STUDY OF (K1/2NA1/2)TIOPO4 AND (RB1/2NA1/2)TIOPO4

被引：21

作者：

CRENNELL, SJ ^{[1
]}

OWEN, JJ ^{[1
]}

GREY, CP ^{[1
]}

CHEETHAM, AK ^{[1
]}

KADUK, JA ^{[1
]}

JARMAN, RH ^{[1
]}

机构：

[1] AMOCO RES CTR,NAPERVILLE,IL 60566

来源：

JOURNAL OF MATERIALS CHEMISTRY | 1991年 / 1卷 / 01期

关键词：

RIETVELD ANALYSIS; POWDER DIFFRACTION; MAGIC ANGLE SPINNING NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NONLINEAR OPTICAL MATERIAL;

D O I：

10.1039/jm9910100113

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 structures of (K 1/2 Na 1/2)TiOPO4 and (Rb 1/2 Na 1/2)TiOPO4 have been determined from Rietveld analysis of powder diffraction data, the former from a joint analysis of time-of-flight neutron and X-ray data, the latter from constant wavelength neutron data: Pn2(1)a, (K 1/2 Na 1/2)TiOPO4 a = 12.75613(7) angstrom, b = 10.60426(6) angstrom, c = 6.31869(4) angstrom; (Rb 1/2 Na 1/2)TiOPO4 a = 12.8273(6) angstrom, b = 10.6052(5) angstrom, c = 6.3347(3) angstrom. P-31 and Na-23 magic angle spinning NMR spectra have also been obtained for the title compounds and the appropriate end members. Complete ordering of Na in the K(1) site and K or Rb in the K(2) site is demonstrated by both the diffraction and the NMR results. The second-harmonic generation properties of these compounds relative to KTiOPO4 are discussed.

引用

页码：113 / 119

页数：7

共 15 条

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