Materials Data on NaCdP2NO10 by Materials Project

NaCdP2NO10 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.94 Å. Cd is bonded to six O atoms to form distorted CdO6 octahedra that share corners with five PO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.19–2.46 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent CdO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–58°. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent CdO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of P–O bond distances ranging from 1.51–1.65 Å. N is bonded in a single-bond geometry to one O atom. The N–O bond length is 1.20 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to one N and one O atom. The O–O bond length is 1.40 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one O atom. In the fourth O site, O is bonded in a water-like geometry to one Na and one Cd atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Na and two P atoms. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one P atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Cd and one P atom. In the ninth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Cd, and one P atom. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one P atom.