Sr4MgSm2Ta2O12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one Mg(1), one O(1), one O(11), one O(12), one O(3), one O(5), one O(7), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(4), one O(5), one O(6), and one O(8) atom. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(5), one O(7), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one O(1), one O(10), one O(3), and one O(5) atom. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(7), and one O(8) atom to form SmO6 octahedra that share corners with four equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-33°. In the second Sm site, Sm(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form SmO6 octahedra that share corners with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. In the second Ta site, Ta(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form TaO6 octahedra that share corners with two equivalent Sm(2)O6 octahedra and corners with four equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-44°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Mg(1), one Sm(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Sr(2), one Sr(4), one Sm(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Mg(1), one Sm(2), and one Ta(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Sr(2), one Sr(4), one Sm(2), and one Ta(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mg(1), one Sm(2), and one Ta(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(4), one Sm(2), and one Ta(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Sm(1), and one Ta(2) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Sr(2), one Sr(4), one Sm(1), and one Ta(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Sm(2), and one Ta(1) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Mg(1), one Sm(2), and one Ta(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sm(1), and one Ta(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Sm(1), and one Ta(2) atom.
Sr4MgSm2Ta2O12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one Mg(1), one O(1), one O(11), one O(12), one O(3), one O(5), one O(7), and one O(9) atom. The Sr(1)-Mg(1) bond length is 2.75 Å. The Sr(1)-O(1) bond length is 2.48 Å. The Sr(1)-O(11) bond length is 2.59 Å. The Sr(1)-O(12) bond length is 2.57 Å. The Sr(1)-O(3) bond length is 2.75 Å. The Sr(1)-O(5) bond length is 2.88 Å. The Sr(1)-O(7) bond length is 2.43 Å. The Sr(1)-O(9) bond length is 2.81 Å. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(4), one O(5), one O(6), and one O(8) atom. The Sr(2)-O(10) bond length is 2.83 Å. The Sr(2)-O(11) bond length is 2.95 Å. The Sr(2)-O(12) bond length is 2.60 Å. The Sr(2)-O(2) bond length is 2.61 Å. The Sr(2)-O(4) bond length is 2.62 Å. The Sr(2)-O(5) bond length is 3.02 Å. The Sr(2)-O(6) bond length is 2.63 Å. The Sr(2)-O(8) bond length is 2.63 Å. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(5), one O(7), and one O(9) atom. The Sr(3)-O(1) bond length is 2.71 Å. The Sr(3)-O(10) bond length is 2.97 Å. The Sr(3)-O(11) bond length is 2.78 Å. The Sr(3)-O(3) bond length is 2.85 Å. The Sr(3)-O(5) bond length is 2.74 Å. The Sr(3)-O(7) bond length is 2.46 Å. The Sr(3)-O(9) bond length is 2.50 Å. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. The Sr(4)-O(10) bond length is 2.87 Å. The Sr(4)-O(12) bond length is 2.80 Å. The Sr(4)-O(2) bond length is 2.46 Å. The Sr(4)-O(4) bond length is 2.69 Å. The Sr(4)-O(6) bond length is 2.76 Å. The Sr(4)-O(7) bond length is 2.85 Å. The Sr(4)-O(8) bond length is 2.57 Å. The Sr(4)-O(9) bond length is 3.09 Å. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one O(1), one O(10), one O(3), and one O(5) atom. The Mg(1)-O(1) bond length is 1.96 Å. The Mg(1)-O(10) bond length is 2.00 Å. The Mg(1)-O(3) bond length is 1.97 Å. The Mg(1)-O(5) bond length is 1.94 Å. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(7), and one O(8) atom to form SmO6 octahedra that share corners with four equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-33°. The Sm(1)-O(1) bond length is 2.48 Å. The Sm(1)-O(11) bond length is 2.37 Å. The Sm(1)-O(12) bond length is 2.45 Å. The Sm(1)-O(2) bond length is 2.31 Å. The Sm(1)-O(7) bond length is 2.44 Å. The Sm(1)-O(8) bond length is 2.26 Å. In the second Sm site, Sm(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form SmO6 octahedra that share corners with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. The Sm(2)-O(10) bond length is 2.43 Å. The Sm(2)-O(3) bond length is 2.52 Å. The Sm(2)-O(4) bond length is 2.26 Å. The Sm(2)-O(5) bond length is 2.25 Å. The Sm(2)-O(6) bond length is 2.45 Å. The Sm(2)-O(9) bond length is 2.30 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. The Ta(1)-O(1) bond length is 2.14 Å. The Ta(1)-O(10) bond length is 2.15 Å. The Ta(1)-O(2) bond length is 1.99 Å. The Ta(1)-O(5) bond length is 2.71 Å. The Ta(1)-O(6) bond length is 1.89 Å. The Ta(1)-O(9) bond length is 2.01 Å. In the second Ta site, Ta(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form TaO6 octahedra that share corners with two equivalent Sm(2)O6 octahedra and corners with four equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-44°. The Ta(2)-O(11) bond length is 2.07 Å. The Ta(2)-O(12) bond length is 2.10 Å. The Ta(2)-O(3) bond length is 2.16 Å. The Ta(2)-O(4) bond length is 2.02 Å. The Ta(2)-O(7) bond length is 2.09 Å. The Ta(2)-O(8) bond length is 2.02 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Mg(1), one Sm(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Sr(2), one Sr(4), one Sm(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Mg(1), one Sm(2), and one Ta(2) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Sr(2), one Sr(4), one Sm(2), and one Ta(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mg(1), one Sm(2), and one Ta(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(4), one Sm(2), and one Ta(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Sm(1), and one Ta(2) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Sr(2), one Sr(4), one Sm(1), and one Ta(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Sm(2), and one Ta(1) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Mg(1), one Sm(2), and one Ta(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sm(1), and one Ta(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Sm(1), and one Ta(2) atom.