LiBaMg2AlSi3(O5F)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(10), one O(7), one O(8), one O(9), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, edges with three equivalent Mg(1)O4F2 octahedra, and edges with three equivalent Mg(2)O4F2 octahedra. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(10), one O(7), one O(8), one O(9), one F(1), and one F(2) atom to form MgO4F2 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Mg(2)O4F2 octahedra. In the second Mg site, Mg(2) is bonded to one O(10), one O(7), one O(8), one O(9), one F(1), and one F(2) atom to form MgO4F2 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Mg(1)O4F2 octahedra. Al(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mg(2)O4F2 octahedra, and corners with three equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-63°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mg(2)O4F2 octahedra, and corners with three equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the second Si site, Si(2) is bonded to one O(2), one O(5), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mg(2)O4F2 octahedra, and corners with three equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the third Si site, Si(3) is bonded to one O(10), one O(2), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mg(2)O4F2 octahedra, and corners with three equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Al(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Si(2), and one Si(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Al(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Al(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Si(2), and one Si(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Si(2), and one Si(3) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Li(1), one Mg(1), one Mg(2), and one Al(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mg(1), one Mg(2), and one Si(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mg(1), one Mg(2), and one Si(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mg(1), one Mg(2), and one Si(3) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mg(1), and one Mg(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1), one Mg(1), and one Mg(2) atom.
LiBaMg2AlSi3(O5F)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(10), one O(7), one O(8), one O(9), one F(1), and one F(2) atom to form LiO4F2 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, edges with three equivalent Mg(1)O4F2 octahedra, and edges with three equivalent Mg(2)O4F2 octahedra. The Li(1)-O(10) bond length is 2.22 Å. The Li(1)-O(7) bond length is 2.00 Å. The Li(1)-O(8) bond length is 2.18 Å. The Li(1)-O(9) bond length is 2.20 Å. The Li(1)-F(1) bond length is 2.09 Å. The Li(1)-F(2) bond length is 2.16 Å. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There is one shorter (2.80 Å) and one longer (3.14 Å) Ba(1)-O(1) bond length. There is one shorter (3.20 Å) and one longer (3.38 Å) Ba(1)-O(2) bond length. There is one shorter (2.81 Å) and one longer (3.09 Å) Ba(1)-O(3) bond length. There is one shorter (2.80 Å) and one longer (3.10 Å) Ba(1)-O(4) bond length. There is one shorter (3.22 Å) and one longer (3.33 Å) Ba(1)-O(5) bond length. There is one shorter (3.18 Å) and one longer (3.34 Å) Ba(1)-O(6) bond length. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(10), one O(7), one O(8), one O(9), one F(1), and one F(2) atom to form MgO4F2 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Mg(2)O4F2 octahedra. The Mg(1)-O(10) bond length is 2.10 Å. The Mg(1)-O(7) bond length is 2.01 Å. The Mg(1)-O(8) bond length is 2.11 Å. The Mg(1)-O(9) bond length is 2.13 Å. The Mg(1)-F(1) bond length is 2.03 Å. The Mg(1)-F(2) bond length is 2.04 Å. In the second Mg site, Mg(2) is bonded to one O(10), one O(7), one O(8), one O(9), one F(1), and one F(2) atom to form MgO4F2 octahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, edges with three equivalent Li(1)O4F2 octahedra, and edges with three equivalent Mg(1)O4F2 octahedra. The Mg(2)-O(10) bond length is 2.10 Å. The Mg(2)-O(7) bond length is 2.00 Å. The Mg(2)-O(8) bond length is 2.11 Å. The Mg(2)-O(9) bond length is 2.12 Å. The Mg(2)-F(1) bond length is 2.04 Å. The Mg(2)-F(2) bond length is 2.07 Å. Al(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mg(2)O4F2 octahedra, and corners with three equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-63°. The Al(1)-O(1) bond length is 1.77 Å. The Al(1)-O(3) bond length is 1.78 Å. The Al(1)-O(4) bond length is 1.78 Å. The Al(1)-O(7) bond length is 1.70 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mg(2)O4F2 octahedra, and corners with three equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. The Si(1)-O(1) bond length is 1.65 Å. The Si(1)-O(3) bond length is 1.65 Å. The Si(1)-O(4) bond length is 1.65 Å. The Si(1)-O(8) bond length is 1.61 Å. In the second Si site, Si(2) is bonded to one O(2), one O(5), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mg(2)O4F2 octahedra, and corners with three equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-58°. The Si(2)-O(2) bond length is 1.68 Å. The Si(2)-O(5) bond length is 1.68 Å. The Si(2)-O(6) bond length is 1.68 Å. The Si(2)-O(9) bond length is 1.58 Å. In the third Si site, Si(3) is bonded to one O(10), one O(2), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mg(2)O4F2 octahedra, and corners with three equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. The Si(3)-O(10) bond length is 1.59 Å. The Si(3)-O(2) bond length is 1.68 Å. The Si(3)-O(5) bond length is 1.68 Å. The Si(3)-O(6) bond length is 1.68 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Al(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Si(2), and one Si(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Al(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Al(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Si(2), and one Si(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Si(2), and one Si(3) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Li(1), one Mg(1), one Mg(2), and one Al(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mg(1), one Mg(2), and one Si(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mg(1), one Mg(2), and one Si(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mg(1), one Mg(2), and one Si(3) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mg(1), and one Mg(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1), one Mg(1), and one Mg(2) atom.