KMo4O6 revisited. Evidence for Mo-6 cluster-centering interstitial atoms in the high-pressure phase KMo4O6-II

被引：1

作者：

Range, KJ ^{[1
]}

Rau, F ^{[1
]}

Heyns, AM ^{[1
]}

Steiner, C ^{[1
]}

机构：

[1] UNIV PRETORIA,DEPT CHEM,PRETORIA 0002,SOUTH AFRICA

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 1996年 / 238卷 / 1-2期

关键词：

high-pressure phase; Mo-6; cluster; interstitial atoms;

D O I：

10.1016/0925-8388(96)02252-9

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 c-axis lengths of various ''KMo4O6'' samples, prepared by high-temperature, high-pressure decomposition of K2MoO4, vary in the range from 2.908 to 2.943 Angstrom, all of them being larger than the corresponding c-axis for KMo4O6 prepared by electrolysis of K2MoO4/MoO3 melts (c = 2.879 Angstrom). From a single-crystal structure refinement of a crystal with c = 2.917 Angstrom we gained evidence that the different lengths of the c-axes in the high-pressure phases KMo4O6-II are caused by additional atoms which center otherwise empty Mo-6 octahedra. Assuming these interstitial atoms to be oxygens, the results of bond valence and bond order sum calculations are clearly improved. The influence of different synthetic routes to KMo4O6, as well as some peculiarities observed during the structure refinement for KMo4O6 samples of different origin, are discussed.

引用

页码：41 / 45

页数：5

共 11 条

[1]

[Anonymous], NATURE CHEM BOND STR

[2] EMPIRICAL PARAMETERS FOR CALCULATING CATION-OXYGEN BOND VALENCES [J].