Na2BaMgP2O8 crystallizes in the trigonal P-3 space group. Na(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted NaO4 trigonal pyramids that share corners with three equivalent Mg(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 85°. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with six equivalent P(1)O4 tetrahedra, edges with six equivalent Na(1)O4 trigonal pyramids, and faces with two equivalent Mg(1)O6 octahedra. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with six equivalent Na(1)O4 trigonal pyramids, and faces with two equivalent Ba(1)O12 cuboctahedra. P(1) is bonded to one O(2) and three equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with four equivalent Na(1)O4 trigonal pyramids, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Ba(1), one Mg(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Na(1), three equivalent Ba(1), and one P(1) atom.
Na2BaMgP2O8 crystallizes in the trigonal P-3 space group. Na(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted NaO4 trigonal pyramids that share corners with three equivalent Mg(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 85°. The Na(1)-O(2) bond length is 2.44 Å. All Na(1)-O(1) bond lengths are 2.42 Å. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with six equivalent P(1)O4 tetrahedra, edges with six equivalent Na(1)O4 trigonal pyramids, and faces with two equivalent Mg(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 2.82 Å. All Ba(1)-O(2) bond lengths are 3.11 Å. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with six equivalent Na(1)O4 trigonal pyramids, and faces with two equivalent Ba(1)O12 cuboctahedra. All Mg(1)-O(1) bond lengths are 2.10 Å. P(1) is bonded to one O(2) and three equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with four equivalent Na(1)O4 trigonal pyramids, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 24°. The P(1)-O(2) bond length is 1.54 Å. All P(1)-O(1) bond lengths are 1.56 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Ba(1), one Mg(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Na(1), three equivalent Ba(1), and one P(1) atom.