NaCa3Mg3Fe(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(12), two equivalent O(2), two equivalent O(4), and two equivalent O(5) 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(1), two equivalent O(11), two equivalent O(3), and two equivalent O(6) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(8), and two equivalent O(9) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms to form MgO6 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 Mg(3)O6 octahedra. In the second Mg site, Mg(2) is bonded to two equivalent O(10), two equivalent O(5), and two equivalent O(7) atoms to form MgO6 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 Fe(1)O6 octahedra. In the third Mg site, Mg(3) is bonded to two equivalent O(11), two equivalent O(6), and two equivalent O(8) atoms to form MgO6 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 Mg(1)O6 octahedra. Fe(1) is bonded to two equivalent O(12), two equivalent O(5), and two equivalent O(7) atoms to form FeO6 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 Mg(2)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-57°. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(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(1), one O(11), one O(3), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-60°. In the fourth Si site, Si(4) is bonded to one O(12), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), one Si(1), and one Si(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Ca(3), one Si(2), and one Si(4) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), one Si(1), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), one Ca(3), one Si(2), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Mg(2), one Fe(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Mg(1), one Mg(3), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(3), one Mg(2), one Fe(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(2), one Mg(1), one Mg(3), and one Si(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ca(2), one Mg(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ca(3), one Mg(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Ca(1), one Mg(3), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Na(1), one Fe(1), and one Si(4) atom.
NaCa3Mg3Fe(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(12), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Both Na(1)-O(12) bond lengths are 2.40 Å. Both Na(1)-O(2) bond lengths are 2.57 Å. Both Na(1)-O(4) bond lengths are 2.78 Å. Both Na(1)-O(5) bond lengths are 2.44 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(1), two equivalent O(11), two equivalent O(3), and two equivalent O(6) atoms. Both Ca(1)-O(1) bond lengths are 2.59 Å. Both Ca(1)-O(11) bond lengths are 2.36 Å. Both Ca(1)-O(3) bond lengths are 2.80 Å. Both Ca(1)-O(6) bond lengths are 2.37 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(8), and two equivalent O(9) atoms. Both Ca(2)-O(1) bond lengths are 2.78 Å. Both Ca(2)-O(3) bond lengths are 2.60 Å. Both Ca(2)-O(8) bond lengths are 2.35 Å. Both Ca(2)-O(9) bond lengths are 2.35 Å. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms. Both Ca(3)-O(10) bond lengths are 2.37 Å. Both Ca(3)-O(2) bond lengths are 2.75 Å. Both Ca(3)-O(4) bond lengths are 2.53 Å. Both Ca(3)-O(7) bond lengths are 2.43 Å. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms to form MgO6 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 Mg(3)O6 octahedra. Both Mg(1)-O(6) bond lengths are 2.14 Å. Both Mg(1)-O(8) bond lengths are 2.08 Å. Both Mg(1)-O(9) bond lengths are 2.08 Å. In the second Mg site, Mg(2) is bonded to two equivalent O(10), two equivalent O(5), and two equivalent O(7) atoms to form MgO6 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 Fe(1)O6 octahedra. Both Mg(2)-O(10) bond lengths are 2.06 Å. Both Mg(2)-O(5) bond lengths are 2.14 Å. Both Mg(2)-O(7) bond lengths are 2.09 Å. In the third Mg site, Mg(3) is bonded to two equivalent O(11), two equivalent O(6), and two equivalent O(8) atoms to form MgO6 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 Mg(1)O6 octahedra. Both Mg(3)-O(11) bond lengths are 2.08 Å. Both Mg(3)-O(6) bond lengths are 2.08 Å. Both Mg(3)-O(8) bond lengths are 2.15 Å. Fe(1) is bonded to two equivalent O(12), two equivalent O(5), and two equivalent O(7) atoms to form FeO6 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 Mg(2)O6 octahedra. Both Fe(1)-O(12) bond lengths are 1.97 Å. Both Fe(1)-O(5) bond lengths are 2.04 Å. Both Fe(1)-O(7) bond lengths are 2.17 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-57°. The Si(1)-O(1) bond length is 1.69 Å. The Si(1)-O(3) bond length is 1.71 Å. The Si(1)-O(5) bond length is 1.62 Å. The Si(1)-O(9) bond length is 1.60 Å. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(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 1.61 Å. The Si(2)-O(2) bond length is 1.68 Å. The Si(2)-O(4) bond length is 1.69 Å. The Si(2)-O(6) bond length is 1.62 Å. In the third Si site, Si(3) is bonded to one O(1), one O(11), one O(3), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-60°. The Si(3)-O(1) bond length is 1.70 Å. The Si(3)-O(11) bond length is 1.60 Å. The Si(3)-O(3) bond length is 1.68 Å. The Si(3)-O(7) bond length is 1.63 Å. In the fourth Si site, Si(4) is bonded to one O(12), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-58°. The Si(4)-O(12) bond length is 1.62 Å. The Si(4)-O(2) bond length is 1.68 Å. The Si(4)-O(4) bond length is 1.67 Å. The Si(4)-O(8) bond length is 1.62 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), one Si(1), and one Si(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Ca(3), one Si(2), and one Si(4) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), one Si(1), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), one Ca(3), one Si(2), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Mg(2), one Fe(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Mg(1), one Mg(3), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(3), one Mg(2), one Fe(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(2), one Mg(1), one Mg(3), and one Si(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ca(2), one Mg(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ca(3), one Mg(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Ca(1), one Mg(3), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Na(1), one Fe(1), and one Si(4) atom.