NaMg2VAl6B3Si6H3O31 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 9-coordinate geometry to one O(12), one O(8), one O(9), two equivalent O(10), two equivalent O(11), and two equivalent O(7) atoms. Mg(1) is bonded to one O(13), one O(15), one O(16), one O(18), one O(7), and one O(8) atom to form MgO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. V(1) is bonded to one O(13), one O(17), two equivalent O(14), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(14), one O(17), one O(2), one O(3), one O(4), and one O(5) atom to form AlO6 octahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Al site, Al(2) is bonded to one O(1), one O(15), one O(18), one O(3), one O(5), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Al site, Al(3) is bonded to one O(1), one O(16), one O(18), one O(2), one O(4), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(8) and two equivalent O(5) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(14), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(15), and one O(2) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the third Si site, Si(3) is bonded to one O(10), one O(11), one O(16), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(17) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(18) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Mg(1), one V(1), and one B(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mg(1), and one B(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1) and two equivalent Si(1) atoms. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1), one Si(2), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Si(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Na(1) and two equivalent Si(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one V(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one V(1), one Al(1), and one Si(1) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(2), and one Si(2) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(3), and one Si(3) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one V(1), two equivalent Al(1), and one H(1) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Mg(1), one Al(2), one Al(3), and one H(2) atom.
NaMg2VAl6B3Si6H3O31 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 9-coordinate geometry to one O(12), one O(8), one O(9), two equivalent O(10), two equivalent O(11), and two equivalent O(7) atoms. The Na(1)-O(12) bond length is 2.79 Å. The Na(1)-O(8) bond length is 2.49 Å. The Na(1)-O(9) bond length is 2.83 Å. Both Na(1)-O(10) bond lengths are 2.76 Å. Both Na(1)-O(11) bond lengths are 2.85 Å. Both Na(1)-O(7) bond lengths are 2.53 Å. Mg(1) is bonded to one O(13), one O(15), one O(16), one O(18), one O(7), and one O(8) atom to form MgO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. The Mg(1)-O(13) bond length is 2.03 Å. The Mg(1)-O(15) bond length is 2.06 Å. The Mg(1)-O(16) bond length is 2.07 Å. The Mg(1)-O(18) bond length is 2.20 Å. The Mg(1)-O(7) bond length is 2.10 Å. The Mg(1)-O(8) bond length is 2.07 Å. V(1) is bonded to one O(13), one O(17), two equivalent O(14), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The V(1)-O(13) bond length is 1.88 Å. The V(1)-O(17) bond length is 2.22 Å. Both V(1)-O(14) bond lengths are 2.08 Å. Both V(1)-O(7) bond lengths are 2.06 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(14), one O(17), one O(2), one O(3), one O(4), and one O(5) atom to form AlO6 octahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Al(1)-O(14) bond length is 1.89 Å. The Al(1)-O(17) bond length is 2.03 Å. The Al(1)-O(2) bond length is 1.89 Å. The Al(1)-O(3) bond length is 1.96 Å. The Al(1)-O(4) bond length is 1.93 Å. The Al(1)-O(5) bond length is 1.89 Å. In the second Al site, Al(2) is bonded to one O(1), one O(15), one O(18), one O(3), one O(5), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Al(2)-O(1) bond length is 2.00 Å. The Al(2)-O(15) bond length is 1.86 Å. The Al(2)-O(18) bond length is 2.00 Å. The Al(2)-O(3) bond length is 1.90 Å. The Al(2)-O(5) bond length is 1.93 Å. The Al(2)-O(6) bond length is 1.90 Å. In the third Al site, Al(3) is bonded to one O(1), one O(16), one O(18), one O(2), one O(4), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Al(3)-O(1) bond length is 1.90 Å. The Al(3)-O(16) bond length is 1.86 Å. The Al(3)-O(18) bond length is 1.99 Å. The Al(3)-O(2) bond length is 1.99 Å. The Al(3)-O(4) bond length is 1.91 Å. The Al(3)-O(6) bond length is 1.94 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(7) atom. The B(1)-O(4) bond length is 1.40 Å. The B(1)-O(6) bond length is 1.39 Å. The B(1)-O(7) bond length is 1.37 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(8) and two equivalent O(5) atoms. The B(2)-O(8) bond length is 1.35 Å. Both B(2)-O(5) bond lengths are 1.40 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(14), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. The Si(1)-O(1) bond length is 1.63 Å. The Si(1)-O(11) bond length is 1.64 Å. The Si(1)-O(14) bond length is 1.63 Å. The Si(1)-O(9) bond length is 1.66 Å. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(15), and one O(2) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. The Si(2)-O(10) bond length is 1.66 Å. The Si(2)-O(12) bond length is 1.64 Å. The Si(2)-O(15) bond length is 1.61 Å. The Si(2)-O(2) bond length is 1.63 Å. In the third Si site, Si(3) is bonded to one O(10), one O(11), one O(16), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. The Si(3)-O(10) bond length is 1.66 Å. The Si(3)-O(11) bond length is 1.65 Å. The Si(3)-O(16) bond length is 1.61 Å. The Si(3)-O(3) bond length is 1.63 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(17) atom. The H(1)-O(17) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(18) atom. The H(2)-O(18) bond length is 0.98 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Mg(1), one V(1), and one B(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mg(1), and one B(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1) and two equivalent Si(1) atoms. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1), one Si(2), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Si(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Na(1) and two equivalent Si(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one V(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one V(1), one Al(1), and one Si(1) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(2), and one Si(2) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(3), and one Si(3) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one V(1), two equivalent Al(1), and one H(1) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Mg(1), one Al(2), one Al(3), and one H(2) atom.