Single crystal EPR studies of Mn(II) doped into zinc ammonium phosphate hexahydrate (ZnNH4PO4·6H2O): A case of interstitial site for bio-mineral analogue |
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Authors: | Anandalakshmi H Velavan K Sougandi I Venkatesan R Rao P Sambasiva |
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Institution: | (1) Department of Chemistry, Pondicherry University, 605 014 Pondicherry, India |
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Abstract: | Single crystal EPR studies of Mn(II)-doped zinc ammonium phosphate hexahydrate (ZnNH4PC4·6H2O) have been reinvestigated at room temperature. Single crystal rotations along the three orthogonal axes indicate that the
spin Hamiltonian parameters for the interstitial site are:g
xx
= 1.966,g
yy
= 1.972,g
zz
= 1.976;D
xx
= -12.28 mT,D
yy
= -2.09 mT andD
zz
= 14.37 mT;A
xx
= 9.06 mT,A
yy
= 9.06 mT andA
zz
= 11.09 mT;a = -0.11 mT. These parameters differ considerably from the previous report of Chand and Agarwal and indicate the orthorhombic
nature of the paramagnetic impurity. The impurity is found to enter the lattice interstitially, in contrast to earlier prediction
of substitutional position. The percentage covalency of the Mn-0 bond has been estimated. |
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Keywords: | EPR interstitial distortion spin Hamiltonian invariant |
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