Crystal structure of the synthetic analogue of iwateite, Na2BaMn(PO4)2: an X-ray powder diffraction and Raman study

Abstract

Abstract We have investigated the crystal structure of the synthetic analogue of the mineral iwateite using powder diffraction and Raman spectroscopy. Na2BaMn(PO4)2 crystallizes in the space group P 3 ‾ $‾{3}$ m1 (No. 164) with cell parameters a = 5.37292(1) Å, and c = 7.09538(1) Å (R wp = 5.7%, V = 177.38 Å3, Z = 1). The space group assignment is supported by the experimentally observed 11 Raman active modes which agree with the expected number of modes for the P 3 ‾ $‾{3}$ m1 symmetry.