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In this paper we report single crystal X-ray diffraction study of an oxide-ion-conductor Nd 9.33 (SiO 4 ) 6 O 2  at 150 K. By detailed examinations of the atomic positions and an electron density distribution, it was clearly shown that Nd 9.33 (SiO 4 ) 6 O 2  has an apatite structure (space group  P 6 3 / m ) with no symmetry lowering or site-splitting. All oxygens in the hexagonal channel were located at their ideal positions (2 a  site at 0, 0, ¼) of the apatite structure, while their thermal displacements were highly anisotropic and that in the  c -axis direction was more than four-times larger than those in other directions. Cation vacancies were located at the nine-coordinated 4 f  Nd site. The other Nd site (seven-coordinated 6 h  site) were basically fully occupied. This full occupation of the 6 h  Nd site makes potential waves inside the hexagonal channel smooth and transports of oxide-ions in the channel much easier. The distortion of SiO 4  tetrahedron was not apparent. Crystallographic data at 150 K: Cell dimensions  a  = 9.5556(6) Å and  c  = 7.019(2) Å;  F  (000)  = 852;  Z  = 1;  D  c  = 5.779(2) g/cm 3 .

Determinations of crystallographic space group and atomic arrangements in oxide-ion-conducting Nd 9.33 (SiO 4 ) 6 O 2