Na3YNbSi2PO12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(3), one O(7), one O(9), and two equivalent O(5) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(7), and one O(8) atom. Y(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form YO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. Nb(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form NbO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-41°. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-38°. P(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Y(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(3), one Y(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Y(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Nb(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(2), one Nb(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Nb(1) and one P(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(3), one Y(1), and one Si(2) atom to form distorted face-sharing ONa3YSi trigonal bipyramids. In the eighth O site, O(8) is bonded to one Na(1), one Na(3), one Y(1), and one Si(1) atom to form distorted face-sharing ONa2YSi trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Y(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Nb(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Nb(1), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Nb(1), and one Si(2) atom.
Na3YNbSi2PO12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. The Na(1)-O(10) bond length is 2.55 Å. The Na(1)-O(11) bond length is 2.66 Å. The Na(1)-O(12) bond length is 2.54 Å. The Na(1)-O(7) bond length is 2.56 Å. The Na(1)-O(8) bond length is 2.56 Å. The Na(1)-O(9) bond length is 2.81 Å. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(3), one O(7), one O(9), and two equivalent O(5) atoms. The Na(2)-O(1) bond length is 2.59 Å. The Na(2)-O(11) bond length is 2.45 Å. The Na(2)-O(3) bond length is 2.81 Å. The Na(2)-O(7) bond length is 2.57 Å. The Na(2)-O(9) bond length is 2.36 Å. There is one shorter (2.90 Å) and one longer (2.93 Å) Na(2)-O(5) bond length. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(7), and one O(8) atom. The Na(3)-O(10) bond length is 2.41 Å. The Na(3)-O(12) bond length is 2.77 Å. The Na(3)-O(2) bond length is 2.51 Å. The Na(3)-O(4) bond length is 2.83 Å. The Na(3)-O(7) bond length is 2.33 Å. The Na(3)-O(8) bond length is 2.50 Å. Y(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form YO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Y(1)-O(1) bond length is 2.27 Å. The Y(1)-O(2) bond length is 2.16 Å. The Y(1)-O(3) bond length is 2.09 Å. The Y(1)-O(7) bond length is 2.27 Å. The Y(1)-O(8) bond length is 2.20 Å. The Y(1)-O(9) bond length is 2.30 Å. Nb(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form NbO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Nb(1)-O(10) bond length is 2.23 Å. The Nb(1)-O(11) bond length is 2.05 Å. The Nb(1)-O(12) bond length is 2.01 Å. The Nb(1)-O(4) bond length is 1.96 Å. The Nb(1)-O(5) bond length is 2.01 Å. The Nb(1)-O(6) bond length is 2.03 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-41°. The Si(1)-O(11) bond length is 1.68 Å. The Si(1)-O(2) bond length is 1.60 Å. The Si(1)-O(5) bond length is 1.73 Å. The Si(1)-O(8) bond length is 1.61 Å. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-38°. The Si(2)-O(12) bond length is 1.66 Å. The Si(2)-O(3) bond length is 1.58 Å. The Si(2)-O(4) bond length is 1.70 Å. The Si(2)-O(7) bond length is 1.62 Å. P(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-45°. The P(1)-O(1) bond length is 1.51 Å. The P(1)-O(10) bond length is 1.57 Å. The P(1)-O(6) bond length is 1.61 Å. The P(1)-O(9) bond length is 1.52 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Y(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(3), one Y(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Y(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Nb(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(2), one Nb(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Nb(1) and one P(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(3), one Y(1), and one Si(2) atom to form distorted face-sharing ONa3YSi trigonal bipyramids. In the eighth O site, O(8) is bonded to one Na(1), one Na(3), one Y(1), and one Si(1) atom to form distorted face-sharing ONa2YSi trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Y(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Nb(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Nb(1), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Nb(1), and one Si(2) atom.