Ca4Fe5(Si3O14)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(10), one O(11), one O(12), one O(14), one O(3), one O(4), and one O(9) atom to form distorted CaO7 pentagonal bipyramids that share corners with two equivalent Si(2)O4 tetrahedra, corners with three equivalent Si(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(13), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(2), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. In the third Fe site, Fe(3) is bonded to two equivalent O(12), two equivalent O(13), 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, and edges with two equivalent Ca(1)O7 pentagonal bipyramids. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(7), one O(8), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 49-57°. In the second Si site, Si(2) is bonded to one O(1), one O(10), one O(11), and one O(13) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Ca(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-61°. In the third Si site, Si(3) is bonded to one O(14), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Ca(1)O7 pentagonal bipyramids, and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Si(2) atom. In the second O site, O(2) is bonded in a water-like geometry to one Fe(1) and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one Fe(3), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Si(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ca(2) and one Si(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Fe(1) and one Fe(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Ca(2), one Fe(2), and one Si(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Ca(2), one Fe(1), and one Si(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Fe(1), one Fe(2), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ca(1), one Fe(1), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ca(1), one Fe(2), and one Si(2) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ca(1) and one Fe(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one Fe(3), and one Si(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ca(1), one Si(1), and one Si(3) atom.
Ca4Fe5(Si3O14)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(10), one O(11), one O(12), one O(14), one O(3), one O(4), and one O(9) atom to form distorted CaO7 pentagonal bipyramids that share corners with two equivalent Si(2)O4 tetrahedra, corners with three equivalent Si(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The Ca(1)-O(10) bond length is 2.41 Å. The Ca(1)-O(11) bond length is 2.35 Å. The Ca(1)-O(12) bond length is 2.36 Å. The Ca(1)-O(14) bond length is 2.62 Å. The Ca(1)-O(3) bond length is 2.47 Å. The Ca(1)-O(4) bond length is 2.33 Å. The Ca(1)-O(9) bond length is 2.49 Å. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(13), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. The Ca(2)-O(13) bond length is 2.51 Å. The Ca(2)-O(3) bond length is 2.48 Å. The Ca(2)-O(4) bond length is 2.40 Å. The Ca(2)-O(5) bond length is 2.32 Å. The Ca(2)-O(7) bond length is 2.38 Å. The Ca(2)-O(8) bond length is 2.34 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. The Fe(1)-O(1) bond length is 2.08 Å. The Fe(1)-O(10) bond length is 1.94 Å. The Fe(1)-O(2) bond length is 1.91 Å. The Fe(1)-O(6) bond length is 1.86 Å. The Fe(1)-O(8) bond length is 1.97 Å. The Fe(1)-O(9) bond length is 2.14 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(2), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. The Fe(2)-O(1) bond length is 2.06 Å. The Fe(2)-O(11) bond length is 1.96 Å. The Fe(2)-O(2) bond length is 1.91 Å. The Fe(2)-O(6) bond length is 1.85 Å. The Fe(2)-O(7) bond length is 1.95 Å. The Fe(2)-O(9) bond length is 2.13 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(12), two equivalent O(13), 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, and edges with two equivalent Ca(1)O7 pentagonal bipyramids. Both Fe(3)-O(12) bond lengths are 1.81 Å. Both Fe(3)-O(13) bond lengths are 1.97 Å. Both Fe(3)-O(3) bond lengths are 2.13 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(7), one O(8), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 49-57°. The Si(1)-O(14) bond length is 1.66 Å. The Si(1)-O(7) bond length is 1.63 Å. The Si(1)-O(8) bond length is 1.63 Å. The Si(1)-O(9) bond length is 1.65 Å. In the second Si site, Si(2) is bonded to one O(1), one O(10), one O(11), and one O(13) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Ca(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-61°. The Si(2)-O(1) bond length is 1.66 Å. The Si(2)-O(10) bond length is 1.65 Å. The Si(2)-O(11) bond length is 1.65 Å. The Si(2)-O(13) bond length is 1.65 Å. In the third Si site, Si(3) is bonded to one O(14), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Ca(1)O7 pentagonal bipyramids, and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. The Si(3)-O(14) bond length is 1.70 Å. The Si(3)-O(3) bond length is 1.65 Å. The Si(3)-O(4) bond length is 1.63 Å. The Si(3)-O(5) bond length is 1.63 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Si(2) atom. In the second O site, O(2) is bonded in a water-like geometry to one Fe(1) and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one Fe(3), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Si(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ca(2) and one Si(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Fe(1) and one Fe(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Ca(2), one Fe(2), and one Si(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Ca(2), one Fe(1), and one Si(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Fe(1), one Fe(2), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ca(1), one Fe(1), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ca(1), one Fe(2), and one Si(2) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ca(1) and one Fe(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one Fe(3), and one Si(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ca(1), one Si(1), and one Si(3) atom.