Synthesis and crystal structure of Ca9Cu1.5(PO4)7 and reinvestigation of Ca9.5Cu(PO4)7

被引：35
作者：
Belik, AA [1 ]
Yanov, OV [1 ]
Lazoryak, BI [1 ]
机构：
[1] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119899, Russia
来源：
MATERIALS RESEARCH BULLETIN | 2001年 / 36卷 / 10期
基金：
俄罗斯基础研究基金会;
关键词：
inorganic compounds; chemical synthesis; X-ray diffraction; crystal structure;
D O I：
10.1016/S0025-5408(01)00666-3
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Ca9Cu1.5(PO4)(7) was synthesized by the solid-state method at 1273 K followed by quenching in air. Crystal structure of Ca9Cu1.5(PO4)(7) was refined by the Rietveld method: space group R3c, a = 10.3379(1) Angstrom, c = 37.1898(3) Angstrom, Z = 6 with R-wp = 4.87%, R-p = 3.67%, S = 1.58, R-I = 2.42%, R-F = 1.07%. The structure of Ca9Cu1.5(PO4)(7) is isotypic with beta -Ca-3(PO4)(2) and Ca9.5Cu(PO4)(7). The M(5) site is fully occupied, and the M(4) site is half occupied by copper canons. The M(1)-M(3) sites are occupied by calcium canons. Copper canons in the M(4) site are displaced from the threefold axis due to long distances M(4)-O. Reinvestigation of crystal structure of Ca9.5Cu(PO4)(7) showed that the M(5) site is occupied by 0.79(1)Cu2+ + 0.21Ca(2+), and other copper canons locate in the M(4) site. (C) 2001 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码：1863 / 1871
页数：9
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