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Force field calculations of K3(UO2)2F7·2H2O

Authors
Journal
Spectrochimica Acta Part A Molecular Spectroscopy
0584-8539
Publisher
Elsevier
Publication Date
Volume
41
Issue
5
Identifiers
DOI: 10.1016/0584-8539(85)80184-7

Abstract

Abstract The force field of the crystal K 3(UO 2) 2F 7·2H 2O (abbreviated as K3F7) was determined using the FG—Shimanouchi method. Although the number of force constants is limited, good agreement with observed frequencies is obtained and thus shows that the force field is quite satisfactory. Different values of interest are: ƒ U-O 1 = 6.47 mdyn.Å −1, ƒ U-O 2 = 7.07 mdyn.Å −1, ƒ O-U-O = 0.13 mdyn.Å −1, ƒ U-F single-bridge = 0.87 mdyn.Å −1 ƒ U-F double bridge = 1.18 mdyn.Å −1, ƒ U-F terminal = 2.16 mdyn.Å −1.

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