Ba2MgNb6(NO7)2 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(8), two equivalent O(14), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), two equivalent O(14), and two equivalent O(9) atoms. Mg(1) is bonded to one O(10), one O(5), one O(9), and two equivalent O(8) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Nb(5)N3O3 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and  an edgeedge with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(2), one O(14), one O(4), and two equivalent O(2) atoms to form distorted NbNO4 trigonal bipyramids that share  a cornercorner with one Nb(5)N3O3 octahedra,  a cornercorner with one Nb(3)O6 octahedra, and corners with two equivalent Nb(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-69°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one O(7), and two equivalent O(4) atoms. In the third Nb site, Nb(3) is bonded to one O(11), one O(4), one O(5), one O(9), and two equivalent O(7) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(5)N3O3 octahedra, corners with two equivalent Nb(3)O6 octahedra,  a cornercorner with one Nb(1)NO4 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 10-29°. In the fourth Nb site, Nb(4) is bonded in a 6-coordinate geometry to one N(1), one O(12), one O(6), one O(8), and two equivalent O(10) atoms. In the fifth Nb site, Nb(5) is bonded to one N(2), two equivalent N(1), one O(10), one O(11), and one O(13) atom to form distorted NbN3O3 octahedra that share  a cornercorner with one Nb(3)O6 octahedra, corners with two equivalent Nb(5)N3O3 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Nb(1)NO4 trigonal bipyramid, and edges with two equivalent Nb(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 10-30°. In the sixth Nb site, Nb(6) is bonded to one N(1), one O(1), one O(12), one O(3), and two equivalent O(13) atoms to form distorted NbNO5 octahedra that share corners with two equivalent Nb(6)NO5 octahedra and edges with two equivalent Nb(5)N3O3 octahedra. The corner-sharing octahedral tilt angles are 28°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Nb(4), one Nb(6), and two equivalent Nb(5) atoms to form distorted corner-sharing NNb4 trigonal pyramids. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(5) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Nb(6) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Nb(2), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Nb(2) and one Nb(6) atom. In the fourth O site, O(4) is bonded to one Nb(1), one Nb(3), and two equivalent Nb(2) atoms to form distorted ONb4 tetrahedra that share  a cornercorner with one O(9)Ba2MgNb tetrahedra, corners with two equivalent O(4)Nb4 tetrahedra, and  a cornercorner with one O(5)Ba2MgNb trigonal pyramid. In the fifth O site, O(5) is bonded to two equivalent Ba(1), one Mg(1), and one Nb(3) atom to form distorted OBa2MgNb trigonal pyramids that share  a cornercorner with one O(4)Nb4 tetrahedra, corners with two equivalent O(5)Ba2MgNb trigonal pyramids, and  an edgeedge with one O(9)Ba2MgNb tetrahedra. In the sixth O site, O(6) is bonded in a linear geometry to one Nb(2) and one Nb(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(3) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Mg(1), and one Nb(4) atom. In the ninth O site, O(9) is bonded to two equivalent Ba(2), one Mg(1), and one Nb(3) atom to form distorted OBa2MgNb tetrahedra that share  a cornercorner with one O(4)Nb4 tetrahedra, corners with two equivalent O(9)Ba2MgNb tetrahedra, and  an edgeedge with one O(5)Ba2MgNb trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nb(5), and two equivalent Nb(4) atoms. In the eleventh O site, O(11) is bonded in a linear geometry to one Nb(3) and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(2), one Nb(4), and one Nb(6) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Nb(5) and two equivalent Nb(6) atoms. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Nb(1) atom.
Ba2MgNb6(NO7)2 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(8), two equivalent O(14), and two equivalent O(5) atoms. The Ba(1)-O(1) bond length is 2.55 Å. The Ba(1)-O(2) bond length is 2.83 Å. The Ba(1)-O(8) bond length is 2.59 Å. There is one shorter (2.81 Å) and one longer (2.82 Å) Ba(1)-O(14) bond length. There is one shorter (2.62 Å) and one longer (2.63 Å) Ba(1)-O(5) bond length. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), two equivalent O(14), and two equivalent O(9) atoms. The Ba(2)-O(1) bond length is 2.71 Å. The Ba(2)-O(12) bond length is 2.74 Å. There is one shorter (2.87 Å) and one longer (2.93 Å) Ba(2)-O(14) bond length. Both Ba(2)-O(9) bond lengths are 2.76 Å. Mg(1) is bonded to one O(10), one O(5), one O(9), and two equivalent O(8) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Nb(5)N3O3 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and  an edgeedge with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles are 31°. The Mg(1)-O(10) bond length is 2.21 Å. The Mg(1)-O(5) bond length is 2.12 Å. The Mg(1)-O(9) bond length is 2.07 Å. There is one shorter (2.15 Å) and one longer (2.16 Å) Mg(1)-O(8) bond length. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(2), one O(14), one O(4), and two equivalent O(2) atoms to form distorted NbNO4 trigonal bipyramids that share  a cornercorner with one Nb(5)N3O3 octahedra,  a cornercorner with one Nb(3)O6 octahedra, and corners with two equivalent Nb(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-69°. The Nb(1)-N(2) bond length is 1.85 Å. The Nb(1)-O(14) bond length is 1.90 Å. The Nb(1)-O(4) bond length is 2.29 Å. Both Nb(1)-O(2) bond lengths are 2.07 Å. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one O(7), and two equivalent O(4) atoms. The Nb(2)-O(2) bond length is 2.19 Å. The Nb(2)-O(3) bond length is 1.82 Å. The Nb(2)-O(6) bond length is 2.00 Å. The Nb(2)-O(7) bond length is 2.41 Å. Both Nb(2)-O(4) bond lengths are 2.08 Å. In the third Nb site, Nb(3) is bonded to one O(11), one O(4), one O(5), one O(9), and two equivalent O(7) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(5)N3O3 octahedra, corners with two equivalent Nb(3)O6 octahedra,  a cornercorner with one Nb(1)NO4 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 10-29°. The Nb(3)-O(11) bond length is 1.98 Å. The Nb(3)-O(4) bond length is 2.41 Å. The Nb(3)-O(5) bond length is 1.96 Å. The Nb(3)-O(9) bond length is 1.93 Å. There is one shorter (2.03 Å) and one longer (2.10 Å) Nb(3)-O(7) bond length. In the fourth Nb site, Nb(4) is bonded in a 6-coordinate geometry to one N(1), one O(12), one O(6), one O(8), and two equivalent O(10) atoms. The Nb(4)-N(1) bond length is 2.12 Å. The Nb(4)-O(12) bond length is 2.45 Å. The Nb(4)-O(6) bond length is 1.90 Å. The Nb(4)-O(8) bond length is 1.99 Å. Both Nb(4)-O(10) bond lengths are 2.02 Å. In the fifth Nb site, Nb(5) is bonded to one N(2), two equivalent N(1), one O(10), one O(11), and one O(13) atom to form distorted NbN3O3 octahedra that share  a cornercorner with one Nb(3)O6 octahedra, corners with two equivalent Nb(5)N3O3 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Nb(1)NO4 trigonal bipyramid, and edges with two equivalent Nb(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 10-30°. The Nb(5)-N(2) bond length is 1.96 Å. There is one shorter (2.06 Å) and one longer (2.07 Å) Nb(5)-N(1) bond length. The Nb(5)-O(10) bond length is 2.40 Å. The Nb(5)-O(11) bond length is 1.93 Å. The Nb(5)-O(13) bond length is 2.29 Å. In the sixth Nb site, Nb(6) is bonded to one N(1), one O(1), one O(12), one O(3), and two equivalent O(13) atoms to form distorted NbNO5 octahedra that share corners with two equivalent Nb(6)NO5 octahedra and edges with two equivalent Nb(5)N3O3 octahedra. The corner-sharing octahedral tilt angles are 28°. The Nb(6)-N(1) bond length is 2.30 Å. The Nb(6)-O(1) bond length is 1.83 Å. The Nb(6)-O(12) bond length is 1.89 Å. The Nb(6)-O(3) bond length is 2.30 Å. There is one shorter (2.05 Å) and one longer (2.06 Å) Nb(6)-O(13) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Nb(4), one Nb(6), and two equivalent Nb(5) atoms to form distorted corner-sharing NNb4 trigonal pyramids. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(5) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Nb(6) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Nb(2), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Nb(2) and one Nb(6) atom. In the fourth O site, O(4) is bonded to one Nb(1), one Nb(3), and two equivalent Nb(2) atoms to form distorted ONb4 tetrahedra that share  a cornercorner with one O(9)Ba2MgNb tetrahedra, corners with two equivalent O(4)Nb4 tetrahedra, and  a cornercorner with one O(5)Ba2MgNb trigonal pyramid. In the fifth O site, O(5) is bonded to two equivalent Ba(1), one Mg(1), and one Nb(3) atom to form distorted OBa2MgNb trigonal pyramids that share  a cornercorner with one O(4)Nb4 tetrahedra, corners with two equivalent O(5)Ba2MgNb trigonal pyramids, and  an edgeedge with one O(9)Ba2MgNb tetrahedra. In the sixth O site, O(6) is bonded in a linear geometry to one Nb(2) and one Nb(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(3) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Mg(1), and one Nb(4) atom. In the ninth O site, O(9) is bonded to two equivalent Ba(2), one Mg(1), and one Nb(3) atom to form distorted OBa2MgNb tetrahedra that share  a cornercorner with one O(4)Nb4 tetrahedra, corners with two equivalent O(9)Ba2MgNb tetrahedra, and  an edgeedge with one O(5)Ba2MgNb trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nb(5), and two equivalent Nb(4) atoms. In the eleventh O site, O(11) is bonded in a linear geometry to one Nb(3) and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(2), one Nb(4), and one Nb(6) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Nb(5) and two equivalent Nb(6) atoms. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Nb(1) atom.