Na6FeAl4(Si4O13)2 is Chalcostibite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(12), one O(21), one O(26), one O(3), and one O(9) atom. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(25), one O(5), and one O(7) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(18), one O(22), one O(4), and one O(8) atom. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(19), one O(23), and one O(5) atom. In the fifth Na site, Na(5) is bonded in a 5-coordinate geometry to one O(16), one O(17), one O(2), one O(20), and one O(22) atom. In the sixth Na site, Na(6) is bonded in a 5-coordinate geometry to one O(1), one O(15), one O(18), one O(24), and one O(6) atom. Fe(1) is bonded in a distorted square co-planar geometry to one O(1), one O(18), one O(26), and one O(9) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(24), one O(4), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(7)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(10), one O(12), one O(14), and one O(20) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. In the third Al site, Al(3) is bonded to one O(11), one O(17), one O(21), and one O(23) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. In the fourth Al site, Al(4) is bonded to one O(13), one O(22), one O(25), and one O(6) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(2), one O(21), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(10), one O(16), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(11), one O(12), one O(18), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(13), one O(15), one O(17), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(15), one O(16), one O(19), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the seventh Si site, Si(7) is bonded to one O(19), one O(22), one O(24), and one O(26) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the eighth Si site, Si(8) is bonded to one O(20), one O(23), one O(25), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(6), one Fe(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(5), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Si(2), and one Si(8) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(3), one Al(1), and one Si(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(6), one Al(4), and one Si(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Al(1), and one Si(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(3), one Si(2), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one Si(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Na(2), one Al(2), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one Na(2), one Na(4), one Al(3), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(2), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(3), one Al(4), and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(4), one Al(2), and one Si(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(6), one Si(5), and one Si(6) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Na(5), one Si(3), and one Si(6) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Na(5), one Al(3), and one Si(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Na(3), one Na(6), one Fe(1), and one Si(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Na(4), one Si(6), and one Si(7) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Na(5), one Al(2), and one Si(8) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Na(1), one Al(3), and one Si(1) atom. In the twenty-second O site, O(22) is bonded in a distorted tetrahedral geometry to one Na(3), one Na(5), one Al(4), and one Si(7) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Na(4), one Al(3), and one Si(8) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Na(6), one Al(1), and one Si(7) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Na(2), one Al(4), and one Si(8) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one Si(7) atom.
Na6FeAl4(Si4O13)2 is Chalcostibite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(12), one O(21), one O(26), one O(3), and one O(9) atom. The Na(1)-O(12) bond length is 2.43 Å. The Na(1)-O(21) bond length is 2.81 Å. The Na(1)-O(26) bond length is 2.34 Å. The Na(1)-O(3) bond length is 2.51 Å. The Na(1)-O(9) bond length is 2.30 Å. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(25), one O(5), and one O(7) atom. The Na(2)-O(10) bond length is 2.41 Å. The Na(2)-O(11) bond length is 2.56 Å. The Na(2)-O(25) bond length is 2.45 Å. The Na(2)-O(5) bond length is 2.62 Å. The Na(2)-O(7) bond length is 2.49 Å. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(18), one O(22), one O(4), and one O(8) atom. The Na(3)-O(13) bond length is 2.39 Å. The Na(3)-O(16) bond length is 2.59 Å. The Na(3)-O(18) bond length is 2.87 Å. The Na(3)-O(22) bond length is 2.45 Å. The Na(3)-O(4) bond length is 2.42 Å. The Na(3)-O(8) bond length is 2.32 Å. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(19), one O(23), and one O(5) atom. The Na(4)-O(11) bond length is 2.45 Å. The Na(4)-O(14) bond length is 2.40 Å. The Na(4)-O(19) bond length is 2.32 Å. The Na(4)-O(23) bond length is 2.41 Å. The Na(4)-O(5) bond length is 2.57 Å. In the fifth Na site, Na(5) is bonded in a 5-coordinate geometry to one O(16), one O(17), one O(2), one O(20), and one O(22) atom. The Na(5)-O(16) bond length is 2.65 Å. The Na(5)-O(17) bond length is 2.43 Å. The Na(5)-O(2) bond length is 2.42 Å. The Na(5)-O(20) bond length is 2.49 Å. The Na(5)-O(22) bond length is 2.54 Å. In the sixth Na site, Na(6) is bonded in a 5-coordinate geometry to one O(1), one O(15), one O(18), one O(24), and one O(6) atom. The Na(6)-O(1) bond length is 2.31 Å. The Na(6)-O(15) bond length is 2.49 Å. The Na(6)-O(18) bond length is 2.34 Å. The Na(6)-O(24) bond length is 2.45 Å. The Na(6)-O(6) bond length is 2.81 Å. Fe(1) is bonded in a distorted square co-planar geometry to one O(1), one O(18), one O(26), and one O(9) atom. The Fe(1)-O(1) bond length is 2.04 Å. The Fe(1)-O(18) bond length is 2.12 Å. The Fe(1)-O(26) bond length is 2.04 Å. The Fe(1)-O(9) bond length is 2.12 Å. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(24), one O(4), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(7)O4 tetrahedra. The Al(1)-O(2) bond length is 1.77 Å. The Al(1)-O(24) bond length is 1.76 Å. The Al(1)-O(4) bond length is 1.75 Å. The Al(1)-O(7) bond length is 1.76 Å. In the second Al site, Al(2) is bonded to one O(10), one O(12), one O(14), and one O(20) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. The Al(2)-O(10) bond length is 1.77 Å. The Al(2)-O(12) bond length is 1.76 Å. The Al(2)-O(14) bond length is 1.76 Å. The Al(2)-O(20) bond length is 1.76 Å. In the third Al site, Al(3) is bonded to one O(11), one O(17), one O(21), and one O(23) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. The Al(3)-O(11) bond length is 1.76 Å. The Al(3)-O(17) bond length is 1.77 Å. The Al(3)-O(21) bond length is 1.76 Å. The Al(3)-O(23) bond length is 1.76 Å. In the fourth Al site, Al(4) is bonded to one O(13), one O(22), one O(25), and one O(6) atom to form AlO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. The Al(4)-O(13) bond length is 1.76 Å. The Al(4)-O(22) bond length is 1.76 Å. The Al(4)-O(25) bond length is 1.76 Å. The Al(4)-O(6) bond length is 1.76 Å. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(2), one O(21), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The Si(1)-O(14) bond length is 1.62 Å. The Si(1)-O(2) bond length is 1.63 Å. The Si(1)-O(21) bond length is 1.63 Å. The Si(1)-O(5) bond length is 1.67 Å. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form corner-sharing SiO4 tetrahedra. The Si(2)-O(1) bond length is 1.59 Å. The Si(2)-O(3) bond length is 1.66 Å. The Si(2)-O(5) bond length is 1.66 Å. The Si(2)-O(8) bond length is 1.66 Å. In the third Si site, Si(3) is bonded to one O(10), one O(16), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The Si(3)-O(10) bond length is 1.63 Å. The Si(3)-O(16) bond length is 1.66 Å. The Si(3)-O(4) bond length is 1.62 Å. The Si(3)-O(6) bond length is 1.63 Å. In the fourth Si site, Si(4) is bonded to one O(11), one O(12), one O(18), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The Si(4)-O(11) bond length is 1.65 Å. The Si(4)-O(12) bond length is 1.64 Å. The Si(4)-O(18) bond length is 1.60 Å. The Si(4)-O(8) bond length is 1.70 Å. In the fifth Si site, Si(5) is bonded to one O(13), one O(15), one O(17), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The Si(5)-O(13) bond length is 1.62 Å. The Si(5)-O(15) bond length is 1.66 Å. The Si(5)-O(17) bond length is 1.64 Å. The Si(5)-O(7) bond length is 1.63 Å. In the sixth Si site, Si(6) is bonded to one O(15), one O(16), one O(19), and one O(9) atom to form corner-sharing SiO4 tetrahedra. The Si(6)-O(15) bond length is 1.66 Å. The Si(6)-O(16) bond length is 1.66 Å. The Si(6)-O(19) bond length is 1.67 Å. The Si(6)-O(9) bond length is 1.58 Å. In the seventh Si site, Si(7) is bonded to one O(19), one O(22), one O(24), and one O(26) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The Si(7)-O(19) bond length is 1.69 Å. The Si(7)-O(22) bond length is 1.65 Å. The Si(7)-O(24) bond length is 1.64 Å. The Si(7)-O(26) bond length is 1.60 Å. In the eighth Si site, Si(8) is bonded to one O(20), one O(23), one O(25), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The Si(8)-O(20) bond length is 1.63 Å. The Si(8)-O(23) bond length is 1.62 Å. The Si(8)-O(25) bond length is 1.64 Å. The Si(8)-O(3) bond length is 1.66 Å. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(6), one Fe(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(5), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Si(2), and one Si(8) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(3), one Al(1), and one Si(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(6), one Al(4), and one Si(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Al(1), and one Si(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(3), one Si(2), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one Si(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Na(2), one Al(2), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one Na(2), one Na(4), one Al(3), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(2), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(3), one Al(4), and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(4), one Al(2), and one Si(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(6), one Si(5), and one Si(6) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Na(5), one Si(3), and one Si(6) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Na(5), one Al(3), and one Si(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Na(3), one Na(6), one Fe(1), and one Si(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Na(4), one Si(6), and one Si(7) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Na(5), one Al(2), and one Si(8) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Na(1), one Al(3), and one Si(1) atom. In the twenty-second O site, O(22) is bonded in a distorted tetrahedral geometry to one Na(3), one Na(5), one Al(4), and one Si(7) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Na(4), one Al(3), and one Si(8) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Na(6), one Al(1), and one Si(7) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Na(2), one Al(4), and one Si(8) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one Si(7) atom.