NaCaMgFe(SiO3)4 is Esseneite-derived structured and crystallizes in the monoclinic C2 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. Mg(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. Fe(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-58°. In the second Si site, Si(2) is bonded to one O(1), 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, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Ca(1), one Si(1), and one Si(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Ca(1), one Si(1), 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 Mg(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(1), one Fe(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Mg(1), 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 Fe(1), and one Si(2) atom.
NaCaMgFe(SiO3)4 is Esseneite-derived structured and crystallizes in the monoclinic C2 space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Both Na(1)-O(1) bond lengths are 2.55 Å. Both Na(1)-O(2) bond lengths are 2.86 Å. Both Na(1)-O(4) bond lengths are 2.40 Å. Both Na(1)-O(5) bond lengths are 2.43 Å. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. Both Ca(1)-O(1) bond lengths are 2.78 Å. Both Ca(1)-O(2) bond lengths are 2.53 Å. Both Ca(1)-O(3) bond lengths are 2.36 Å. Both Ca(1)-O(6) bond lengths are 2.39 Å. Mg(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. Both Mg(1)-O(3) bond lengths are 2.06 Å. Both Mg(1)-O(5) bond lengths are 2.13 Å. Both Mg(1)-O(6) bond lengths are 2.10 Å. Fe(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. Both Fe(1)-O(4) bond lengths are 1.98 Å. Both Fe(1)-O(5) bond lengths are 2.02 Å. Both Fe(1)-O(6) bond lengths are 2.17 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-58°. The Si(1)-O(1) bond length is 1.68 Å. The Si(1)-O(2) bond length is 1.69 Å. The Si(1)-O(3) bond length is 1.60 Å. The Si(1)-O(5) bond length is 1.63 Å. In the second Si site, Si(2) is bonded to one O(1), 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, corners with two equivalent 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(2)-O(1) bond length is 1.68 Å. The Si(2)-O(2) bond length is 1.67 Å. The Si(2)-O(4) bond length is 1.61 Å. The Si(2)-O(6) bond length is 1.63 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Ca(1), one Si(1), and one Si(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Ca(1), one Si(1), 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 Mg(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(1), one Fe(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Mg(1), 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 Fe(1), and one Si(2) atom.