Unravelling the crystal structure of Nd5.8WO12−δ and Nd5.7W0.75Mo0.25O12−δ mixed ionic electronic conductors

The crystal structures of non-substituted and Mo-substituted neodymium tungstates are described in detail through neutron diffraction and high-resolution X-ray diffraction. Combined X-ray and neutron diffraction refinements and electron probe micro-analysis were employed to locate Mo atoms in the crystal structure of Nd6−yW1−zMozO12−δ (z = 0, 0.25), while X-ray absorption spectroscopy in the near-edge regions confirmed no changes in the oxidation states of Nd and W.

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