Ba2NaNb5O15 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the tetragonal P4bm space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Ba(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-36°. In the second Nb site, Nb(2) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 3-37°. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Nb(1), and one Nb(2) atom. In the second O site, O(5) is bonded to two equivalent Ba(1) and two equivalent Nb(2) atoms to form distorted corner-sharing OBa2Nb2 trigonal pyramids. In the third O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and two equivalent Nb(1) atoms. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one Na(1), one Ba(1), and two equivalent Nb(2) atoms. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Ba(1), and two equivalent Nb(2) atoms.
Ba2NaNb5O15 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the tetragonal P4bm space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. All Na(1)-O(2) bond lengths are 2.79 Å. All Na(1)-O(3) bond lengths are 2.57 Å. Ba(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(4) atoms. The Ba(1)-O(1) bond length is 3.06 Å. Both Ba(1)-O(2) bond lengths are 3.22 Å. Both Ba(1)-O(3) bond lengths are 3.27 Å. There is one shorter (2.75 Å) and one longer (2.99 Å) Ba(1)-O(5) bond length. There are two shorter (2.80 Å) and two longer (3.09 Å) Ba(1)-O(4) bond lengths. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-36°. There is one shorter (1.85 Å) and one longer (2.29 Å) Nb(1)-O(1) bond length. All Nb(1)-O(4) bond lengths are 2.00 Å. In the second Nb site, Nb(2) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 3-37°. The Nb(2)-O(4) bond length is 2.01 Å. The Nb(2)-O(5) bond length is 2.04 Å. There is one shorter (1.85 Å) and one longer (2.30 Å) Nb(2)-O(2) bond length. There is one shorter (1.97 Å) and one longer (2.03 Å) Nb(2)-O(3) bond length. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Nb(1), and one Nb(2) atom. In the second O site, O(5) is bonded to two equivalent Ba(1) and two equivalent Nb(2) atoms to form distorted corner-sharing OBa2Nb2 trigonal pyramids. In the third O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and two equivalent Nb(1) atoms. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one Na(1), one Ba(1), and two equivalent Nb(2) atoms. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Ba(1), and two equivalent Nb(2) atoms.