LaTiAlPbO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pmma space group. There are three inequivalent La sites. In the first La site, La(1) is bonded to one O(2), one O(9), two equivalent O(3), four equivalent O(6), and four equivalent O(7) atoms to form LaO12 cuboctahedra that share corners with two equivalent La(1)O12 cuboctahedra; corners with four equivalent Pb(1)O12 cuboctahedra; corners with five La(2,2)O12 cuboctahedra; faces with two equivalent La(1)O12 cuboctahedra; faces with two equivalent La(2)O12 cuboctahedra; faces with two equivalent Pb(1)O12 cuboctahedra; faces with two equivalent Ti(2)O6 octahedra; faces with two equivalent Al(1)O6 octahedra; and faces with four equivalent Al(2)O6 octahedra. In the second La site, La(2) is bonded to one O(3), three equivalent O(2), four equivalent O(7), and four equivalent O(8) atoms to form LaO12 cuboctahedra that share  a cornercorner with one Pb(1)O12 cuboctahedra; corners with five equivalent La(1)O12 cuboctahedra; corners with six La(2,2)O12 cuboctahedra; faces with two equivalent La(1)O12 cuboctahedra; faces with four La(2,2)O12 cuboctahedra; faces with two equivalent Al(2)O6 octahedra; and faces with six equivalent Al(1)O6 octahedra. In the third La site, La(2) is bonded to one O(3), three equivalent O(2), four equivalent O(7), and four equivalent O(8) atoms to form LaO12 cuboctahedra that share  a cornercorner with one Pb(1)O12 cuboctahedra; corners with five equivalent La(1)O12 cuboctahedra; corners with six La(2,2)O12 cuboctahedra; faces with two equivalent La(1)O12 cuboctahedra; faces with four La(2,2)O12 cuboctahedra; faces with two equivalent Al(2)O6 octahedra; and faces with six equivalent Al(1)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with two equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Ti site, Ti(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-4°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms to form AlO6 octahedra that share corners with two equivalent Al(2)O6 octahedra; corners with four equivalent Al(1)O6 octahedra; faces with two equivalent La(1)O12 cuboctahedra; and faces with six La(2,2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Al site, Al(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form AlO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent Pb(1)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(1), one O(3), two equivalent O(9), four equivalent O(4), and four equivalent O(6) atoms to form distorted PbO12 cuboctahedra that share  a cornercorner with one La(2)O12 cuboctahedra, corners with two equivalent Pb(1)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent Pb(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Al(2)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the second Pb site, Pb(2) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(4), and four equivalent O(5) atoms. There are nine inequivalent O sites. In the first O site, O(9) is bonded in a distorted linear geometry to one La(1), two equivalent Ti(2), and two equivalent Pb(1) atoms. In the second O site, O(1) is bonded in a linear geometry to two equivalent Ti(1), one Pb(1), and three equivalent Pb(2) atoms. In the third O site, O(2) is bonded to one La(1); three La(2,2); and two equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing OLa4Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(3) is bonded in a distorted linear geometry to one La(2), two equivalent La(1), two equivalent Al(2), and one Pb(1) atom. In the fifth O site, O(4) is bonded in a linear geometry to one Ti(1), one Ti(2), two equivalent Pb(1), and two equivalent Pb(2) atoms. In the sixth O site, O(5) is bonded in a linear geometry to two equivalent Ti(1) and four equivalent Pb(2) atoms. In the seventh O site, O(6) is bonded in a distorted linear geometry to two equivalent La(1), one Ti(2), one Al(2), and two equivalent Pb(1) atoms. In the eighth O site, O(7) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), one Al(1), and one Al(2) atom. In the ninth O site, O(8) is bonded in a distorted linear geometry to four La(2,2) and two equivalent Al(1) atoms.
LaTiAlPbO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pmma space group. There are three inequivalent La sites. In the first La site, La(1) is bonded to one O(2), one O(9), two equivalent O(3), four equivalent O(6), and four equivalent O(7) atoms to form LaO12 cuboctahedra that share corners with two equivalent La(1)O12 cuboctahedra; corners with four equivalent Pb(1)O12 cuboctahedra; corners with five La(2,2)O12 cuboctahedra; faces with two equivalent La(1)O12 cuboctahedra; faces with two equivalent La(2)O12 cuboctahedra; faces with two equivalent Pb(1)O12 cuboctahedra; faces with two equivalent Ti(2)O6 octahedra; faces with two equivalent Al(1)O6 octahedra; and faces with four equivalent Al(2)O6 octahedra. The La(1)-O(2) bond length is 2.63 Å. The La(1)-O(9) bond length is 2.70 Å. Both La(1)-O(3) bond lengths are 2.75 Å. All La(1)-O(6) bond lengths are 2.73 Å. All La(1)-O(7) bond lengths are 2.72 Å. In the second La site, La(2) is bonded to one O(3), three equivalent O(2), four equivalent O(7), and four equivalent O(8) atoms to form LaO12 cuboctahedra that share  a cornercorner with one Pb(1)O12 cuboctahedra; corners with five equivalent La(1)O12 cuboctahedra; corners with six La(2,2)O12 cuboctahedra; faces with two equivalent La(1)O12 cuboctahedra; faces with four La(2,2)O12 cuboctahedra; faces with two equivalent Al(2)O6 octahedra; and faces with six equivalent Al(1)O6 octahedra. The La(2)-O(3) bond length is 2.61 Å. There is one shorter (2.74 Å) and two longer (2.75 Å) La(2)-O(2) bond lengths. All La(2)-O(7) bond lengths are 2.73 Å. All La(2)-O(8) bond lengths are 2.75 Å. In the third La site, La(2) is bonded to one O(3), three equivalent O(2), four equivalent O(7), and four equivalent O(8) atoms to form LaO12 cuboctahedra that share  a cornercorner with one Pb(1)O12 cuboctahedra; corners with five equivalent La(1)O12 cuboctahedra; corners with six La(2,2)O12 cuboctahedra; faces with two equivalent La(1)O12 cuboctahedra; faces with four La(2,2)O12 cuboctahedra; faces with two equivalent Al(2)O6 octahedra; and faces with six equivalent Al(1)O6 octahedra. The La(2)-O(3) bond length is 2.61 Å. There is one shorter (2.74 Å) and two longer (2.75 Å) La(2)-O(2) bond lengths. All La(2)-O(7) bond lengths are 2.73 Å. All La(2)-O(8) bond lengths are 2.75 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with two equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. Both Ti(1)-O(1) bond lengths are 1.95 Å. Both Ti(1)-O(4) bond lengths are 1.96 Å. Both Ti(1)-O(5) bond lengths are 1.98 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-4°. Both Ti(2)-O(4) bond lengths are 1.98 Å. Both Ti(2)-O(6) bond lengths are 1.97 Å. Both Ti(2)-O(9) bond lengths are 1.95 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms to form AlO6 octahedra that share corners with two equivalent Al(2)O6 octahedra; corners with four equivalent Al(1)O6 octahedra; faces with two equivalent La(1)O12 cuboctahedra; and faces with six La(2,2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both Al(1)-O(2) bond lengths are 1.95 Å. Both Al(1)-O(7) bond lengths are 1.92 Å. Both Al(1)-O(8) bond lengths are 1.92 Å. In the second Al site, Al(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form AlO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent Pb(1)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. Both Al(2)-O(3) bond lengths are 1.95 Å. Both Al(2)-O(6) bond lengths are 1.92 Å. Both Al(2)-O(7) bond lengths are 1.92 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(1), one O(3), two equivalent O(9), four equivalent O(4), and four equivalent O(6) atoms to form distorted PbO12 cuboctahedra that share  a cornercorner with one La(2)O12 cuboctahedra, corners with two equivalent Pb(1)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent Pb(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Al(2)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. The Pb(1)-O(1) bond length is 2.88 Å. The Pb(1)-O(3) bond length is 2.79 Å. Both Pb(1)-O(9) bond lengths are 2.75 Å. All Pb(1)-O(4) bond lengths are 2.79 Å. All Pb(1)-O(6) bond lengths are 2.79 Å. In the second Pb site, Pb(2) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(4), and four equivalent O(5) atoms. There is one shorter (2.74 Å) and two longer (2.75 Å) Pb(2)-O(1) bond lengths. All Pb(2)-O(4) bond lengths are 2.79 Å. All Pb(2)-O(5) bond lengths are 2.75 Å. There are nine inequivalent O sites. In the first O site, O(9) is bonded in a distorted linear geometry to one La(1), two equivalent Ti(2), and two equivalent Pb(1) atoms. In the second O site, O(1) is bonded in a linear geometry to two equivalent Ti(1), one Pb(1), and three equivalent Pb(2) atoms. In the third O site, O(2) is bonded to one La(1); three La(2,2); and two equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing OLa4Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(3) is bonded in a distorted linear geometry to one La(2), two equivalent La(1), two equivalent Al(2), and one Pb(1) atom. In the fifth O site, O(4) is bonded in a linear geometry to one Ti(1), one Ti(2), two equivalent Pb(1), and two equivalent Pb(2) atoms. In the sixth O site, O(5) is bonded in a linear geometry to two equivalent Ti(1) and four equivalent Pb(2) atoms. In the seventh O site, O(6) is bonded in a distorted linear geometry to two equivalent La(1), one Ti(2), one Al(2), and two equivalent Pb(1) atoms. In the eighth O site, O(7) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), one Al(1), and one Al(2) atom. In the ninth O site, O(8) is bonded in a distorted linear geometry to four La(2,2) and two equivalent Al(1) atoms.