NaCa3Fe3Al(SiO3)8 is Esseneite-derived structured and crystallizes in the monoclinic P2 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(12), two equivalent O(5), and two equivalent O(7) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(11), two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(12) atoms to form FeO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Fe(3)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent Al(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. Al(1) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(9) atoms to form AlO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Fe(2)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(5), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-62°. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-64°. In the fourth Si site, Si(4) is bonded to one O(12), one O(4), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(2), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(3), one Fe(2), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ca(1), one Fe(3), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(1), one Al(1), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), one Si(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(1), one Ca(3), one Si(2), and one Si(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Ca(2), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Na(1), one Ca(3), one Si(2), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Fe(2), one Al(1), and one Si(1) atom. In the tenth O site, O(10) is bonded to one Ca(1), one Fe(1), one Fe(3), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OCaFe2Si trigonal pyramids. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(3), one Fe(2), one Al(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded to one Ca(2), one Fe(1), one Fe(3), and one Si(4) atom to form a mixture of distorted corner and edge-sharing OCaFe2Si trigonal pyramids.
NaCa3Fe3Al(SiO3)8 is Esseneite-derived structured and crystallizes in the monoclinic P2 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms. Both Na(1)-O(4) bond lengths are 2.39 Å. Both Na(1)-O(6) bond lengths are 2.54 Å. Both Na(1)-O(8) bond lengths are 2.79 Å. Both Na(1)-O(9) bond lengths are 2.43 Å. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. Both Ca(1)-O(10) bond lengths are 2.35 Å. Both Ca(1)-O(3) bond lengths are 2.38 Å. Both Ca(1)-O(5) bond lengths are 2.59 Å. Both Ca(1)-O(7) bond lengths are 2.85 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(12), two equivalent O(5), and two equivalent O(7) atoms. Both Ca(2)-O(1) bond lengths are 2.36 Å. Both Ca(2)-O(12) bond lengths are 2.31 Å. Both Ca(2)-O(5) bond lengths are 2.76 Å. Both Ca(2)-O(7) bond lengths are 2.64 Å. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(11), two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms. Both Ca(3)-O(11) bond lengths are 2.45 Å. Both Ca(3)-O(2) bond lengths are 2.35 Å. Both Ca(3)-O(6) bond lengths are 2.79 Å. Both Ca(3)-O(8) bond lengths are 2.55 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(12) atoms to form FeO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Fe(3)O6 octahedra. Both Fe(1)-O(1) bond lengths are 2.09 Å. Both Fe(1)-O(10) bond lengths are 2.18 Å. Both Fe(1)-O(12) bond lengths are 2.17 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent Al(1)O6 octahedra. Both Fe(2)-O(11) bond lengths are 2.17 Å. Both Fe(2)-O(2) bond lengths are 2.08 Å. Both Fe(2)-O(9) bond lengths are 2.18 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. Both Fe(3)-O(10) bond lengths are 2.14 Å. Both Fe(3)-O(12) bond lengths are 2.22 Å. Both Fe(3)-O(3) bond lengths are 2.14 Å. Al(1) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(9) atoms to form AlO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Fe(2)O6 octahedra. Both Al(1)-O(11) bond lengths are 2.04 Å. Both Al(1)-O(4) bond lengths are 1.89 Å. Both Al(1)-O(9) bond lengths are 1.93 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(5), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-62°. The Si(1)-O(1) bond length is 1.60 Å. The Si(1)-O(5) bond length is 1.69 Å. The Si(1)-O(7) bond length is 1.70 Å. The Si(1)-O(9) bond length is 1.63 Å. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. The Si(2)-O(10) bond length is 1.62 Å. The Si(2)-O(2) bond length is 1.61 Å. The Si(2)-O(6) bond length is 1.68 Å. The Si(2)-O(8) bond length is 1.69 Å. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-64°. The Si(3)-O(11) bond length is 1.63 Å. The Si(3)-O(3) bond length is 1.61 Å. The Si(3)-O(5) bond length is 1.70 Å. The Si(3)-O(7) bond length is 1.68 Å. In the fourth Si site, Si(4) is bonded to one O(12), one O(4), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-59°. The Si(4)-O(12) bond length is 1.63 Å. The Si(4)-O(4) bond length is 1.61 Å. The Si(4)-O(6) bond length is 1.69 Å. The Si(4)-O(8) bond length is 1.67 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(2), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(3), one Fe(2), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ca(1), one Fe(3), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(1), one Al(1), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), one Si(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(1), one Ca(3), one Si(2), and one Si(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Ca(2), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Na(1), one Ca(3), one Si(2), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Fe(2), one Al(1), and one Si(1) atom. In the tenth O site, O(10) is bonded to one Ca(1), one Fe(1), one Fe(3), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OCaFe2Si trigonal pyramids. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(3), one Fe(2), one Al(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded to one Ca(2), one Fe(1), one Fe(3), and one Si(4) atom to form a mixture of distorted corner and edge-sharing OCaFe2Si trigonal pyramids.