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

Range, Klaus-Jürgen and Rau, Franz and Heyns, Anton M. and Steiner, Claudia (1996) KMo4O6 revisited. Evidence for Mo-6 cluster-centering interstitial atoms in the high-pressure phase KMo4O6-II. JOURNAL OF ALLOYS AND COMPOUNDS, 238 (1-2). pp. 41-45. ISSN 0925-8388, 1873-4669

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Abstract

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.

Item Type: Article
Uncontrolled Keywords: high-pressure phase; Mo-6 cluster; interstitial atoms
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Chemistry and Pharmacy > Institut für Anorganische Chemie > Alumni or Retired Professors > Prof. Dr. Klaus-Jürgen Range
Depositing User: Dr. Gernot Deinzer
Date Deposited: 06 Jul 2023 08:32
Last Modified: 06 Jul 2023 08:32
URI: https://pred.uni-regensburg.de/id/eprint/51736

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