NaBaPO4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Ba(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), three equivalent Ba(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Ba(1), and one P(1) atom.
NaBaPO4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Na(1)-O(2) bond length is 2.85 Å. Both Na(1)-O(1) bond lengths are 2.51 Å. Both Na(1)-O(3) bond lengths are 2.78 Å. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. There is one shorter (2.71 Å) and one longer (2.84 Å) Ba(1)-O(3) bond length. There is one shorter (2.87 Å) and two longer (3.01 Å) Ba(1)-O(2) bond lengths. There are two shorter (2.70 Å) and two longer (2.81 Å) Ba(1)-O(1) bond lengths. P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.57 Å. Both P(1)-O(1) bond lengths are 1.55 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Ba(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), three equivalent Ba(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Ba(1), and one P(1) atom.